- Email: [email protected]
Explanatory notes
EXPLANATORY
NOTES
The numerical data and the simulated powder patterns presented in this Collection are To facilitate the use of these reference patterns to a great extent self-explanatory. some pertinent remarks regarding the keywords used in the data section are summarized below. The input structural data have been deposited on the worldwide web at: Europe: http://www.izc-sc.ethz.ch/IZA-SC/ http://www-izc-sc.csb.yale.edu/IZA-SC/ North America: It is planned that portions of this Collection, including updates, will be accessible at these addresses, and users may copy the information. Alternatively, a text file containing the input structural data may be obtained by sending an email message to either [email protected] or [email protected] ZEOLITE
STRUCTURE
TYPES
Three-letter structure type codes have been used to organize the entries in this publication. The powder diffraction data and simulated patterns for the reference structures are listed alphabetically according to their respective structure type code. The mnemonic codes are listed in the At/as ofZeo/ite Structure Types (Meier, Olson and Baerlocher 1996) and are in accordance with the rules set up by the IUPAC Commission on Zeolite Nomenclature (published by IUPAC in 1978). REFERENCE
MATERIALS
We refer to the materials selected for inclusion in this Collection as reference materials. In many cases the reference materials are natural zeolites providing single crystal data. For roughly a third of the structure types represented, there are no known natural counterparts. In these instances, typical as-synthesized materials were selected if a suitable structure refinement could be found. In cases where this was not possible, the best available refinement of a calcined sample, or a DLS refinement, was used. Due to significant differences in their diffraction patterns, several isostructural species have been included in this Collection. These examples illustrate the extent of the differences observed in the diffraction patterns of zeolites with identical framework topologies but which vary in composition and/or symmetry. Outstanding examples are edingtonite and K-F (EDI), gismondine, amicite, gobbinsite, and Na-Pl (GIS), and assynthesized vs calcined ZSM-5 (MFI). Patterns of the commercially significant X and Y zeolites are included to complement the natural faujasite data.
330
Zeolites
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COMPOSITION Compositions are expressed in terms of the full unit cell content. In the Powder Pattern section, the composition listed is that provided in the original reference, usually from chemical analysis. In the Atomic Coordinates section, the refined composition is derived from the structure refinement. Because of the complexities of structure refinements, the chemical and refined compositions do not always concur. When available, refinements of hydrated zeolites were used to calculate the patterns. For synthetic zeolites refinements of as-synthesized (uncalcined) products were chosen which contained occluded organic molecules if the zeolite had been synthesized in the presence of organic material. The sample locality is given in the case of natural zeolites. CRYSTAL
DATA
Crystal data include space group information from the international Tables for Crystallography, and the cell parameters. The type of refinement with the final Rvalues is listed in the Atomic Coordinates section. REFERENCE This entry cites the literature from which the crystal data, atomic coordinates, and temperature factors were obtained. In many cases there are multiple refinements of the same zeolitic material, but because of space limitations not all refinements could be included. We would appreciate if authors and users would inform us of any errors or omissions. A listing of the references for isotypic species can be found in the Atlas of Zeolite Sfructure Types (Meier, Olson and Baerlocher, 1996). A list of references to structure analyses of zeolites with different cations, up to 1982, is given in the Compilation of Extra Framework Sites in Zeolites (Mortier, 1982). POWDER
PATTERN
IDENTIFICATION
TABLES
A table is provided to assist in the identification of powder patterns of unknown materials. The 28 (“) values of the three most pronounced low-angle reflections are listed. Usually, these reflections are simply the three strongest peaks. In some instances, a pronounced low-angle reflection will be included, even if it is not among the most intense. The data for all the materials presented in this work are listed together and sorted by increasing 28 value. To identify an unknown material, measure the 20 values of the three most pronounced reflections, and find which materials have corresponding reflections at those values. This provides a starting point for a more detailed comparison of the experimental and calculated patterns.
Zeolites
16:323-602,
1996
331
CALCULATED
POWDER
DIFFRACTION
DATA
The powder diffraction data include the 28-values for CuK, radiation, d-spacings, relative intensities, Miller indices, and multiplicities for all reflections up to 50” 20. Reflections with an integrated intensity /,, of less than 0.1 were omitted from the table. In cases where not all the reflections could be listed on a single page the data table is continued in the Extra intensity Listing section. The scattering factors used for the framework T- and O-atoms in the structure factor computations were those selected by the authors of the original work. If none had been specified, we chose atomic (neutral) scattering factors. No adsorption corrections were applied to the data and anisotropic temperature factors were converted to isotropic temperature factors Bi,, (A’). SIMULATED
POWDER
PATTERN
The powder pattern for CuK, radiation is reproduced from 0” to 50” 28. The patterns were calculated using ZeoFile_pds running under HyperCardTM on an Apple MacintoshTM computer (J. M. Newsam and M. M. J. Treaty, Zeolites, 13, 183-186, 1993). The intensity scale is kept variable to accommodate extreme situations. The full intensity I,,, is plotted as I,, = 100. If only one or a few peaks are very intense and the rest of the pattern consists of low-intensity reflections, I,,,, is set at a lower value (see ordinate) to show sufficient detail in the low-intensity region of the pattern. The scale of the ordinate is calibrated in percent relative intensity of the maximum peak height. This linear intensity may differ slightly from the integrated intensity given in the numerical diffraction data. Furthermore, overlapping of closely spaced reflections may lead to significant changes in the intensities of composite peaks. A Cauchy (Lorentz) profile was assumed for the calculation of the pattern. The full width at half maximum (FWHM) of all peaks was set to be 0.08” 20. Many real samples will, in general, give diffraction patterns with broader lines due to instrumental broadening, disorder, or small crystallite size. Recent synchrotron powder diffraction data of some zeolite materials, however, exhibit FWHM of less than 0.08 28. Because hydrated forms of natural zeolites or as-synthesized forms were used whenever refined atomic parameters were available, the plots should be easily comparable to experimental patterns. In some cases, however, only structure refinements of dehydrated or calcined forms were available, and significant differences in the peak intensities (in particular for low angles), were found when comparing the calculated pattern to experimental patterns of hydrated or assynthesized materials. As explained in the Preface, we are now also including several calculated patterns based on DLS refinements. These exceptions are indicated in the Atomic Coordinates section. Finally, a note of caution should be addressed to the user of these reference patterns. The patterns are very useful in helping to establish the structural purity of a zeolite phase, yet they may not always allow one to readily and unambiguously determine the structure type of the sample. This assignment is often not straightforward and may
332
Zeolites
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1996
require more sophisticated analyses. A pertinent review of factors affecting the diffraction characteristics of zeolite materials has been provided by W. J. Rohrbaugh and E. W. Wu (ACS Symposium Series 411, 279-302, 1989). POWDER
PATTERN
SIMULATIONS
FOR DISORDERED
INTERGROWTHS
A number of zeolitic materials crystallize as disordered planar intergrowths of “endmember” frameworks. Two of the better-studied series are the FAU/EMT intergrowths (such as ZSM-2, ZSM-3, ZSM-20, ECR-30, CSZ-1 and CSZ-3) and the intergrown zeolite beta and its natural analog tschernichite. Powder patterns for five of the more commonly observed coherently intergrown series were calculated using the DlFFaX computer program (M. M. J. Treaty, J. M. Newsam and M. W. Deem, Proc. R. Sot. Lond. A 433, 499-520, 1991). Random stacking faults are assumed. The five series are; the beta family; CON-l/SSZ-26; FALVEMT; MFI/MEL; and OFF/ERI. The stacking fault probability is incremented from 0 to 1 in steps of 0.1. Stacking fault probabilities of 0 and 1 represent the unfaulted end-members. ABOUT
THIS BOOK
The data in this book were generated by computer, with final editing performed by hand. The original data from the literature were entered into the ZeoFile program (J. M. Newsam and M. M. J. Treaty, Zeolites, 13, 183-186, 1993), which runs under HyperCardTM on an Apple MacintoshTM computer. An automated HyperCardTM script was written to compute the diffraction and unit cell composition data for each material, and to output the formatted results, along with the original data, as a LaTeX text file. The text and tables in the manuscript were then typeset using the TexturesTM program. The plots were composed with the lgorTM graphing package, using layout macros generated by the same HyperCardTM script.
Zeolites
16:323-802,
1996
333
POWDER PATTERN IDENTIFICATION TABLES
334
Zeolites
16:323-602,
1996
Powder Pattern Identification 20” 3.42 3.56 4.14 4.48 4.57 4.83 5.04 5.31 5.38 5.50 5.55 5.55 5.64 5.87 5.87 5.92 6.10 6.12 6.12 6.19 6.23 6.24 6.31 6.33 6.48 6.51 6.57 6.57 6.65 6.65 6.69 6.77 6.78 6.82 6.85 6.98 7.05 7.10 7.18 7.20 7.41 7.42 7.42 7.43 7.47 7.57 7.61 7.63 7.66 7.68 7.68 7.69 7.71 7.71 7.72 7.74 7.75 7.78 7.82 7.84
Material Cloverite Paulingite NaZ-21 Maricopaite Decamethonium DAF-1 Cloverite Paulingite AlP04-8 VPI-5 Perlialite Linde Type L Mazzite Chiavennite Calcined EMC-2 EMC-2 Cloverite Dehydrated Na-X Decamethonium DAF-1 Hydrated Na-X Faujasite EMC-2 Calcined EMC-2 Siliceous Na-Y Dehydrated US-Y 1-aminoadamantane Deca-Dodecasil 3R Mordenite AlPO*-8 Di-n-propylamine MAPSOCalcined EMC-2 EMC-2 Dehydrated ZK-5 NaZ-21 VPI-8 Roggianite Calcined AlP04-41 Beta, polymorph A SiOz framework NU-87 Beryllophosphate-H Hydrated Linde Type A Dehydrated Linde Type A Nz, Piperidine Dodecasil 1H SAPO-56 Gmelinite Tetrapropylammonium fluoride AlP04-5 Calcined ZSM-12 Synthetic beta/Tschernichite Tetrapropylammonium SAPO-40 Calcined ZSM-12 CIT-1 1-aminoadamantane Deca-Dodecasil3R Offretite Erionite Bellbergite Piperidine AlP04-17 Di-n-propylamine MAPSOBeta, polymorph A SiOz framework ZSM-18 SiO2 framework Ferrierite ZSM-57 SiOz framework Boggsite
Code -CL0 PAU LTN MOR DFO -CL0 PAU AET VFI LTL LTL MAZ -CHI EMT EMT -CL0 FAU DFO FAU FAU EMT EMT FAU FAU DDR MOR AET AFS EMT EMT KFI LTN VET -RON AFO *BEA NES BPH LTA LTA DOH AFX GME AFI MTW *BEA AFR MTW CON DDR OFF ERI EAB ERI AFS *BEA ME1 FER MFS BOG
28” 7.84 7.88 7.89 7.90 7.91 7.91 7.92 7.93 7.94 7.94 7.94 7.95 7.95 8.01 8.01 8.02 8.06 8.09 8.10 8.11 8.15 8.20 8.21 8.22 8.32 8.33 8.36 8.49 8.56 8.64 8.64 8.68 8.72 8.75 8.81 8.85 8.86 8.87 8.91 8.93 8.94 8.94 9.01 9.05 9.07 9.10 9.10 9.14 9.15 9.18 9.23 9.23 9.24 9.30 9.36 9.38 9.40 9.42 9.45 9.45
Table
Material CIT-1 MAPO-36 Dodecasil 3C NU-87 Decamethonium DAF-1 Losod Calcined, rehydrated, EU-1 Calcined ZSM-11 NaZ-21 Calcined ZSM-5 Ammonium fluoride ZSM-23 Tetrapropylammonium ZSM-5 2-aminopentane nonasil Di-n-propylamine CoAPO-50 Calcined ZSM-5 Calcined, partially rehydrated, AlPO4-52 Tetrapropylammonium SAPO-40 Diisopropylamine MnAPO-11 Calcined AlPOd-11 Beryllophosphate-H Diethylamine theta-l (silica ZSM-22) MAPO-36 Partheite Ammonium fluoride ZSM-23 Hydrated rho Liottite SiO2 framework NU-87 Di-n-propylamine SAPO-31 Levyne SAPO-56 RUB-13 1-aminoadamantane NU-3 RUB-17 Calcined, rehydrated, EU-1 Calcined ZSM-11 Calcined ZSM-5 Tetrapropylammonium ZSM-5 VPI-7 Calcined ZSM-12 Deuterated berylloarsenate Lovdarite Ammonium fluoride ZSM-23 1-aminoadamantane sigma-2 RUB-13 Pahasapaite CIT-1 Maricopaite Hydrated AlPOd-C RUB-3 framework Quinuclidine AlPO4-22 Ferrierite Cobalt Gallophosphate Laumontite Tetramethylammonium OH AIPO4-12
Alp&-25 Leonhardite Chabazite ZSM-57 SiO2 framework Diisopropylamine MnAPO-11 Siliceous ferrierite Zeolites
16:323-602,
Code CON ATS MTN NES DFO LOS EUO MEL LTN MFI MTT MFI NON AFY MFI AFT AFR AEL AEL BPH TON ATS -PAR MTT RHO LIO NES AT0 LEV AFX RTH LEV RSN EUO MEL MFI MFI vsv MTW RHO LOV MTT SGT RTH RHO CON MOR APC RTE AWW FER LAU LAU ATT ATV LAU CHA MFS AEL FER 1996
335
Powder Pattern Identification 28” 9.47 9.48 9.48 9.49 9.52 9.54 9.56 9.57 9.59 9.61 9.62 9.64 9.65 9.68 9.68 9.70 9.71 9.72 9.72 9.77 9.77 9.85 9.88 9.91 9.95 9.97 9.97 10.00 10.06 10.06 10.08 10.11 10.15 10.17 10.18 10.19 10.31 10.47 10.61 10.70 10.75 10.77 10.77 10.85 10.89 10.90 10.93 11.07 11.08 11.11 11.17 11.19 11.29 11.43 11.45 11.52 11.54 11.56 11.57 11.67
336
Material Dehydrated ZK-5 Calcined AlP04-18 Methylbutylamine SAPO-47 Bellbergite Calcined AlP04-18 Calcined, partially rehydrated, AlPO4-52 MAPO-39 Calcined AlPOdVPI-8 2-aminopentane nonasil Mazzite (Na, tetramethylammonium)-E Roggianite Beta, polymorph A SiOz framework Erionite Stilbite Stellarite Calcined AlP04-41 Barrerite Piperidine AlPO4-17 Mordenite Heulandite Clinoptilolite Barrerite Dachiardite Epistilbite Dehydrated Na-X Hydrated Na-X Liottite SiOz framework RUB-10 SiOn framework Tetramethylammonium ZAPO-Ml Faujasite Maricopaite Hydrated Linde Type A RUB-13 Dehydrated Linde Type A Siliceous Na-Y AlPOd-H2 Calcined AlP04-18 Paulingite Nepheline hydrate RUB-10 SiOz framework VPI-5 Levyne Harmotome Partheite Phillipsite Heulandite 1-aminoadamantane NU-3 Mazzite ZSM-18 SiOz framework Clinoptilolite Bikitaite Barium chloroaluminosilicate Quinuclidine AlP04-16 Gmelinite Losod Wenkite SAPO-56 Quinuclidinium fluoride octadecasil
Zeolites
16:323-802,
1996
Code KFI AET CHA EAB AEI AFT ATN AEL VET NON MAZ EAB -RON *BEA ERI ST1 ST1 AFO ST1 ERI MOR HEU HEU ST1 DAC EPI FAU FAU LIO RUT ZON FAU MOR LTA RTH LTA FAU AHT AEI PAU JBW RUT VFI LEV PHI -PAR PHI HEU LEV MAZ ME1 HEU BIK MER AST GME LOS -WEN AFX AST
28” 11.77 11.79 11.79 11.86 12.10 12.13 12.15 12.35 12.35 12.38 12.38 12.40 12.42 12.44 12.45 12.46 12.46 12.49 12.55 12.57 12.58 12.59 12.65 12.67 12.69 12.71 12.78 12.78 12.83 12.84 12.88 12.89 12.90 12.91 12.91 12.91 13.00 13.07 13.11 13.25 13.33 13.34 13.37 13.38 13.39 13.41 13.41 13.44 13.45 13.50 13.53 13.56 13.60 13.64 13.72 13.72 13.76 13.80 13.88 13.89
Table continued Material Linde Type L Nepheline hydrate Weinebeneite Faujasite Siliceous Na-Y Amicite Gismondine Gobbinsite Phillipsite Di-n-propylamine MAPO-43 Garronite Harmotome Tetrapropylammonium SAPO-40 Merlinoite Na-exchanged K-F Na-Pl Hydrated Linde Type A Dehydrated Linde Type A Dehydrated AlPOd-C Gobbinsite Siliceous ferrierite Goosecreekite Tetramethylammonium OH AlP04-12 Yugawaralitr Ferrierite Laumontite Dachiardite ZSM57 SiOz framework Siliceous ferrierite Epistilbite RUB-17 Methylbutylamine SAPO-47 Hydrated AlPOd-C Calcined, partially rehydrated, AlPO4-52 AlPOd-D Dodecasil 3C Leonhardite Brewsterite Wenkite Na-exchanged K-F (Na, tetramethylammonium)-E Erionite Scolecite Piperidine AlP04-17 Thomsonite Montesommaite Gonnardite Mesolite Mordenite Bellbergite MAPO-39 Natrolite Edingtonite Hydrated AlPOh-C Calcined AlP04-41 Losod Tetramethylammonium ZAPO-Ml Li-ABW RUB-17 VPI-7
Code LTL JBW WE1 FAU FAU GIS GIS GIS PHI GIS GIS PHI AFR MER ED1 GIS LTA LTA APC GIS FER GO0 ATT YUG FER LAU DAC MFS FER EPI RSN CHA APC AFT APD MTN LAU BRE -WEN ED1 EAB ERI NAT ERI THO MON NAT NAT MOR EAB ATN NAT ED1 APC AFO LOS ZON ABW RSN VW
Powder Pattern Identification 28” 13.90 14.00 14.02 14.02 14.13 14.16 14.31 14.41 14.41 14.45 14.50 14.56 14.71 14.74 14.78 14.96 14.97 14.97 15.00 15.04 15.10 15.11 15.14 15.20 15.27 15.29 15.30 15.39 15.43 15.45 15.81 15.98 15.99 16.16 16.43 16.56 16.56 16.66 16.84 17.13 17.35 17.41 17.65 17.66 17.82 17.87 17.90 18.02 18.04 18.27 18.41 18.42 18.54 18.67 18.71 18.75 18.89 19.05 19.06 19.08
Material Harmotome Dehydrated AlPOd-C Brewsterite Cancrinite RUB-3 framework Sodalite octahydrate Tugtupite RUB-10 SiOz framework Partheite Liottite SiOz framework Roggianite ZSM-18 SiOz framework Linde Type L Melanophlogite Dachiardite
AlP04-25 Gonnardite Weinebeneite Dehydrated ZK-5 Natrolite Scolecite Mesolite Dodecasil3C Chiavennite Tetramethylammonium OH AIPO4-12 Lovdarite Yugawaralite Dehydrated Na-X Hydrat,ed Na-X Weinebeneite Analcime Dehydrated US-Y Goosecreekite Melanophlogite Edingtonite Perlialite Merlinoite Di-n-propylamine MAPSONz, Piperidine Dodecasil 1H 1-aminoadamantane Deca-Dodecasil Amicite 1-aminoadamantane NU-3 Gmelinite Na-Pl Lovdarite Garronite Dehydrated AlP04-V Epistilbite Gismondine Goosecreekite Afghanite MAPO-39 Quinuclidine AlP04-22 Hydrated rho Scolecite Quinuclidine AlP04-16 Edingtonite Natrolite MAPO-36 Stellarite
3R
Code PHI APC BRE CAN RTE SOD SOD RUT -PAR LIO -RON ME1 LTL MEP DAC i\TV NAT WE1 KFI NAT NAT NAT MTN -CHI ATT LOV YUG FAU FAU WE1 ANA FAU GO0 MEP ED1 LTL MER AFS DOH DDR GIS LEV GME GIS LOV GIS APC EPI GIS GO0 AFG ATN AWW RHO NAT AST ED1 NAT ATS ST1
280 19.15 19.17 19.17 19.21 19.35 19.56 19.59 19.74 19.76 19.78 20.01 20.07 20.09 20.11 20.18 20.36 20.45 20.51 20.53 20.55 20.61 20.62 20.62 20.71 20.82 20.86 20.97 21.03 21.04 21.10 21.13 21.18 21.19 21.22 21.22 21.23 21.53 21.57 21.60 21.67 21.68 21.77 21.87 21.90 21.90 21.92 21.93 22.00 22.03 22.13 22.21 22.36 22.38 22.50 22.52 22.58 22.62 23.05 23.13 23.18
Table continued Material Cancrinite Calcined, rehydrated, EU-1 Stilbite Thomsonite (Na, tetramethylammonium)-E 1-aminoadamantane sigma-2 RUB-3 framework Keatite l-aminoadamantane sigma-2 Barium chloroaluminosilicate Moganite Sodalite octahydrate VPI-8 Nepheline hydrate Di-n-propylamine SAPO-31 Diethylamine theta-l (silica ZSM-22) Chabazite Tetramethylammonium ZAPO-Ml Montesommaite Tridymite Quinuclidine AlP04-22 Methylbutylamine SAPO-47 2-aminopentane nonasil AlPOd-D Gismondine Ly quartz Tetrapropylammonium fluoride AlP04-5 Amicite Diisopropylamine MnAPO11 Barium chloroaluminosilicate AlPOdCobalt Gallophosphate AlP04-8 Bikitaite Laumontite Calcined AlPOdDi-n-propylamine MAPO-43 Gobbinsite Cs-aluminosilicate Na-PI Tridymite Levyne AlPOd-H2 Stellarite Stilbite Barrerite VPI-5 cr cristobalite Quinuclidine AlP04-16 Quinuclidinium fluoride octadecasil Heulandite Clinoptilolite Tetrapropylammonium fluoride AlP04-5 Synthetic beta/Tschernichite Perlialite Di-n-propylamine SAPO-31 Quinuclidinium fluoride octadecasil Boggsite Calcined ZSM-11 Tetrapropylammonium ZSM-5
Zeolites
16:323-602,
Code CAN EUO ST1 THO EAB SGT RTE SGT MER SOD VET JBW AT0 TON CHA ZON MON AWW CHA NON APD GIS AFI GIS AEL MER ATV LAU AET BIK LAU AEL GIS GIS CAS GIS LEV AHT ST1 ST1 ST1 VFI AST AST HEU HEU AFI *BEA LTL AT0 AST BOG MEL MFI
1996
337
Powder Pattern IdentificaGon Material
28” 23.24
Tridymite
23.32 23.49 23.58 23.73 23.78 23.86 24.14 24.16 24.16 24.18 24.62 24.65 24.68 24.71 24.79 24.80 24.83 25.14 25.14 25.19 25.36 25.37 25.41 25.49 25.76 25.77 25.96 26.03 26.27 26.44 26.49
Tiptopite Di-n-propylamine CoAPO-50 Offretite AlPOd-H2 Deuterated berylloarsenate Keatite Dehydrated US-Y Afghanite Pahasapaite Di-n-propylamine CoAPO-50 Diethylamine theta-l (silica ZSM-22) Sodalite octahydrate Cs-aluminosilicate Bicchulite Melanophlogite Tugtupite Cs-aluminosilicate Hydrated rho Tugtupite Cobalt Gallophosphate N2, Piperidine Dodecasil 1H Leonhardite Thomsonite VPI-9 Bikitaite Wenkite Analcime Keatite Moganite Boggsite Tiptopite
338
Zeolites
16:323-802,
Code -
1996
CAN AFY OFF AHT RHO FAU AFG RHO AFY TON SOD CAS SOD MEP SOD CAS RHO SOD LAU DOH LAU THO VNI BIK -WEN ANA
BOG CAN
Table continued Material
28” 26.65 26.73
Q quartz Moganite
Code -
27.01 27.02 27.07 27.43 27.46 27.63 27.66 27.74 27.89 28.15 28.33 28.44 28.47
Montesommaite Deuterated berylloarsenate Afghanite VPI-7 Pahasapaite Merlinoite Di-n-propylamine MAP043 Cancrinite Phillipsite Li-ABW Garronite Na-exchanged K-F o cristobalite
MON RHO AFG VSV RHO MER GIS CAN PHI ABW GE ED1 -
28.72 29.05 29.29 29.50 30.19 30.40 30.50 30.54 30.98 31.01 31.30 31.44 31.88 32.07 32.38 43.51
VPI-9 VPI-9 Yugawaralite Li-ABW Tipt.0pit.e Chabazite Brewsterite Analcime Mesolite Gonnardite Offret,ite o cristobalite Beryllophosphate-H Bicchulite Chiavennite Bicchulite
VNI VNI YUG ABW CAN CHA BRE ANA NAT NAT OFF BPH SOD -<‘HI SOD
POWDER
PATTERNS
Zeolites
16:323-802,
1996
339
ABW
Li-ABW COMPOSITION:
Li4(Si4Al4016).4&0
CRYSTAL
Pm21
DATA:
(No. 33) a = 10.313 A b = 8.194 A a = 90”
REFERENCE:
E. Krogh Andersen and G. Ploug-Sorensen, Z. Kristallogr. 176, 67-73 (1986).
h
k
1
20
d
M
Ire,
h
k
1
1 2 2 0 0 2 2 3 1 2 3 1 3
1 0 1 1 2 1 2 1 2 2 1 3 2
0 0 0 1 0 1 0 0 1 1 1 0 0
13.80 17.20 20.35 20.83 21.69 27.14 27.81 28.15 29.50 33.19 33.48 33.95 34.04
6.415 5.156 4.364 4.264 4.097 3.286 3.208 3.170 3.028 2.699 2.676 2.640 2.633
4 2 4 4 2 8 4 4 8 8 8 4 4
88.5 20.6 17.5 59.3 4.3 5.9 0.1 94.6 100.0 2.7 0.5 4.1 1.1
0 4 2 0 1 3 1 4 2 4 4 2 2
0 1 3 3 3 2 1 0 0 1 2 3 1
2 35.97 0 36.53 0 37.25 1 37.53 1 38.57 1 38.65 2 38.70 1 39.33 2 40.13 1 40.90 0 41.38 1 41.56 2 41.68
340
Zeolites
16:323-802,
c = 4.993 A y = 90”
p = 90”
1996
26’
d
M
IreI
hkl
2.496 2.459 2.414 2.396 2.334 2.329 2.327 2.291 2.247 2.206 2.182 2.173 2.167
2 4 4 4 8 8 8 4 4 8 4 8 8
34.7 3.3 0.1 9.0 5.5 11.3 6.0 0.3 5.0 3.7 2.5 7.9 1.3
3 1 0 1 5 4 2 3 3 2 4 1 5
3 0 2 2 4 0 4 0 1 0 2 1 2 2 3 1 1 2 4 0 3 0 4 1 2 0
28
d
42.26 43.34 44.21 45.12 45.34 45.36 46.07 46.18 46.29 47.77 48.56 48.86 49.47
2.139 2.088 2.048 2.009 2.000 1.999 1.970 1.966 1.961 1.904 1.875 1.864 1.842
M Ire1 4 8 2 4 4 8 8 8 8 4 4 8 4
0.5 0.7 6.6 0.4 1.9 0.4 0.2 2.2 9.3 0.7 1.2 0.9 1.3
ABW
Li-ABW
Zeolites
16:323-802,
1996
341
AEI
Calcined
COMPOSITION:
kd’24096
CRYSTAL
Cl 2/c 1 (No. 15) unique axis b, cell choice 1 a = 13.7114 A b = 12.7315 A c = 18.5706 A a = 90” p = 90.01" y = 90"
DATA:
REFERENCE:
A. Simmen, L. B. McCusker, Ch. Baerlocher and W. M. Meier, Zeolites 11, 654-661 (1991). Ch. Baerlocher, private communication.
h
k
1
26’
d
M
I rel
h
k
1 0 -1 1 2 -1 112 0 0 -2 2 0 -1 1 2 0 -2 2 0 3 -3 3 -2 2 -1 1 13 -1 1 -3 -2 0 -2 2 -1 13 -3 3 -1 115 4 -1 1 -2 2
1 0 1 1 0 1
0 2 1 1 0 2 0
9.330 9.285 8.337 8.336 6.856 6.582 6.581 6.366 6.022 5.516 5.515 5.250 5.158 5.158 4.665 4.643 4.524 4.524 4.438 4.302 4.191 4.191 4.169 4.168 4.157 4.156 4.054 3.961 3.961 3.903 3.844 3.751 3.726 3.725 3.715 3.715 3.533 3.532 3.451 3.451 3.428 3.392 3.391 3.291 3.290
4 2 4 4 2 4 4 2 4 2 2 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 2 4 4 4 4
100.0
2 21 0 0 2 1 1 2 0 2 2 2 10 1 1 2 2 1 1
9.48 9.52 10.61 10.61 12.91 13.45 13.45 13.91 14.71 16.07 16.07 16.89 17.19 17.19 19.02 19.12 19.62 19.62 20.01 20.65 21.20 21.20 21.31 21.32 21.38 21.38 21.92 22.45 22.45 22.78 23.14 23.72 23.88 23.89 23.95 23.95 25.21 25.21 25.82 25.82 25.99 26.28 26.28 27.10 27.10
-4 4 0 0 -3 3 -1 1 4 0 -4 4 -3 3 -1 1 -2 2 2 -4 4 -2 2 0 2 0 -3 3 -4 4 -2 2 -1 1 -4 4 510 -5 5 -2 2 -3 3 -2 2
0 0 2 4 1 1 3 3 2 4 2 2 3 3 1 1 2 2 4 2 2 4 4 4 0 2 3 3 0 0 4 4 3 3 2 2
2 2 5 0 4 4 4 4 0 2 1 1 2 2 6 6 5 5 0 2 2 1 1 3 6 6 3 3 4 4 2 2 5 5 3 3
1 1 4 4 3 3 2 2
1 1 3 3 4 4 6 6
342
3 3 1 0 2 2 2 3
2 2 2 3 3 0 4 1 1 3 1 1 2 2 4 4 0 1 1 2 4 4 3 3 2 2 3
1 13 1
5
0 3 3 2 2
0 3 3 4 4
Zeolites
AIPOd-18
16:323-902,
1996
57.9 13.5 14.6 13.5 2.4 2.8 1.9 0.4 6.5 6.0 19.2 9.3 9.5 3.0 0.9 1.6 2.0 6.6 11.8 0.1 3.0 0.9 5.6 4.2 0.5 0.7 0.2 0.4 0.3 1.5 1.2 4.4 4.6 1.6 3.6 0.4 0.9 1.2 0.9 3.8 3.3 2.8 0.4 0.4
1
28
d
M
Ire1
27.74 27.74 27.81 28.03 28.28 28.28 29.24 29.25 29.60 29.67 29.99 30.00 30.31 30.31 30.43 30.43 30.77 30.77 30.98 31.16 31.16 31.36 31.36 31.61 31.72 32.16 32.21 32.21 32.46 32.47 32.48 32.48 32.70 32.70 33.02 33.02 33.42 33.78 33.78 34.27 34.27 34.72 34.72 34.78 34.79
3.216 3.215 3.208 3.183 3.156 3.155 3.054 3.054 3.018 3.011 2.979 2.979 2.949 2.949 2.938 2.938 2.906 2.905 2.887 2.870 2.870 2.853 2.853 2.831 2.821 2.784 2.779 2.779 2.758 2.757 2.757 2.757 2.739 2.738 2.713 2.713 2.681 2.653 2.653 2.616 2.616 2.584 2.584 2.579 2.579
2 2 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4
0.2 0.4 5.9 0.8 0.2 0.1 0.6 0.5 1.0 0.4 1.4 2.2 1.4 0.6 1.3 1.9 1.5 1.2 2.6 5.1 3.7 0.2 0.2 1.8 0.4 4.2 1.0 0.9 0.5 0.4 0.5 0.5 1.7 2.5 0.9 0.9 0.2 0.5 0.5 0.4 0.2 0.1 0.4 0.3 0.1
h
k
1
28
d
M
Ire1
5 -1 -4 -3 1 -1 1 -5 -1 5 -2 0 0 -3 3 4 0 -4 4 -2 2 5 -5 5 3 -1 -5 5 0 -3 3 0 -4 4 6 2 0 -6 6 -3 3 -1 15 0 -5
1 1 2 1 5 5 5 1 3 1 4 2 4 3 3 4 0 4 4 2 2 3 3 3 1 1 3 3 4 3 3 2 2 2 2 4 6 2 2 5 5 5
2 7 4 6 0 1 1 3 6 3 4 7 5 5 5 0 8 1 1 7 7 0 1 1 7 8 2 2 6 6 6 8 6 6 0 6 1 2 2 3 3 5 5 2 4
34.83 35.17 35.47 35.74 35.87 36.20 36.20 36.52 36.52 36.53 36.65 36.70 37.20 37.72 37.73 38.60 38.79 38.91 38.92 39.06 39.06 39.11 39.42 39.42 39.93 40.02 40.34 40.35 40.66 41.14 41.15 41.40 41.80 41.81 42.01 42.84 42.90 43.17 43.17 43.22 43.22 43.60 43.60 43.76 43.88
2.576 2.552 2.531 2.513 2.504 2.481 2.481 2.460 2.460 2.460 2.452 2.449 2.417 2.385 2.384 2.332 2.321 2.314 2.314 2.306 2.306 2.303 2.286 2.286 2.258 2.253 2.236 2.235 2.219 2.194 2.194 2.181 2.161 2.161 2.151 2.111 2.108 2.095 2.095 2.093 2.093 2.076 2.076 2.069 2.063
4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4
0.4 0.2 0.4 0.1 0.9 0.2 0.3 0.5 0.1 0.5 0.1 0.3 0.1 0.2 0.1 0.3 0.3 0.3 0.2 0.5 0.1 0.3 0.5 0.3 0.2 0.1 0.2 0.2 0.1 0.4 0.6 1.0 0.2 0.2 0.1 0.2 0.4 0.5 0.2 0.7 0.5 0.1 0.3 0.2 0.1
6 3
AEI
Calcined AlPOd -18
Zeolites
16:323-802,
1996
343
AEL
Calcined
COMPOSITION:
A120P20Q30
CRYSTAL
Ibm2
DATA:
(No. 46) bat setting
a = 13.5336 A ci = 90”
REFERENCE:
1
1
0
0 2 1 2 0 3 0 2 3 1 1 2 0 3 3 1 2 4 1 2 4 0 4 0 3 2 3
2 0 3 2 4 1 0 3 0 1 4 4 2 2 3 5 0 0 3 2 2 4 1 6 1 5 4
0 0 0 0 0 0 2 1 1 2 1 0 2
344
1
0 0 2 0 2 2 0 2 1 0 2 1 1
d
A.4
8.10 9.57 13.08 15.80 16.23 19.21 20.26 21.23 22.22 22.39 22.75 22.95 23.31 23.33 24.40 24.46 24.97 25.02 26.34 26.58 26.84 28.08 28.78 28.87 28.99 29.51 29.53 29.66
10.919 9.241 6.767 5.607 5.460 4.620 4.383 4.185 4.001 3.971 3.908 3.876 3.816 3.812 3.649 3.640 3.566 3.559 3.383 3.354 3.321 3.177 3.102 3.093 3.080 3.027 3.025 3.012
4 2 2 4 4 2 4 2 8 4 8 8 4 4 8 4 4 4 2 8 8 4 4 8 2 8 8 8
Zeolites
16:323-802,
b = 18.4821 A p = 90”
c = 8.3703 A y = 90”
J. W. Richardson, Jr., J. J. Pluth and J. V. Smith, Acta Cryst. B44, 367-373 (1988).
29
hkl
AlPOd-
1996
I rel 100.0 82.1 18.9 35.6 1.3 0.6 17.7 71.4 26.2 18.9 5.0 23.9 26.6 6.2 1.7 1.7 0.9 1.9 11.3 5.9 0.2 2.0 0.2 2.3 7.0 2.7 0.3 1.2
hkl 3 1 2 2 4 3 4 4 1 5 4 0 5 3 4 2 3 3 2 1 3 4 3 4 6 5 1 5
5 6 4 6 3 3 4 0 7 0 2 6 3 6 5 3 0 5 7 4 2 4 7 6 0 4 7 5
0 1 2 0 1 2 0 2 0 1 2 2 0 1 1 3 3 2 1 3 3 2 0 0 0 1 2 0
28
d
A4
I rel
31.28 31.65 31.73 31.92 32.02 32.60 32.81 34.07 34.61 34.83 35.47 36.21 36.25 36.93 37.61 37.81 37.92 38.12 38.13 38.26 39.20 39.41 39.55 39.56 39.97 40.08 40.96 41.34
2.859 2.827 2.820 2.804 2.795 2.746 2.730 2.631 2.591 2.575 2.531 2.481 2.478 2.434 2.392 2.379 2.373 2.361 2.360 2.352 2.298 2.286 2.279 2.278 2.256 2.250 2.203 2.184
4 8 8 4 8 8 4 4 4 4 8 4 4 8 8 8 4 8 8 8 8 8 4 4 2 8 8 4
0.5 1.2 5.6 0.9 0.6 0.2 10.6 2.6 4.6 0.1 0.8 1.8 4.3 0.7 0.1 4.8 4.5 0.1 0.9 5.7 0.4 2.8 0.6 0.8 0.2 0.2 0.3 0.3
h 6 4 3 0 1 1 0 6 4 3 4 2 3 6 1 5 5 5 5 3 7 3 6 3 7 2 7 2
k 1 1 4 0 1 6 2 4 7 7 6 0 8 0 3 0 5 2 7 1 0 6 5 9 2 7 3 4
1 1 3 3 4 4 3 4 0 1 2 2 4 1 2 4 3 2 3 0 4 1 3 1 0 1 3 0 4
20 41.76 42.27 42.84 43.23 44.06 44.31 44.39 44.71 44.87 45.31 45.33 45.36 45.42 45.69 46.31 46.76 46.93 47.84 48.14 48.19 48.31 48.42 48.51 48.72 49.37 49.39 49.41 49.69
d 2.163 2.138 2.111 2.093 2.055 2.044 2.041 2.027 2.020 2.001 2.001 1.999 1.997 1.986 1.961 1.943 1.936 1.901 1.890 1.888 1.884 1.880 1.876 1.869 1.846 1.845 1.845 1.835
M 8 8 8 2 8 8 4 4 8 8 8 4 8 4 8 4 8 8 4 8 4 8 8 4 8 8 4 8
Ire1 0.7 0.8 0.8 3.0 0.1 0.7 0.4 2.3 2.0 0.3 1.0 0.1 0.6 0.5 0.4 0.1 0.4 0.1 0.3 0.1 1.2 0.3 0.1 0.3 0.1 1.0 0.6 0.3
AEL
Calcined AlPOd -11
Zeolites
16:323-602,
1996
345
AEL
Diisopropylamine
COMPOSITION:
(Mn2AllsPzoOso).CInH32N2
CRYSTAL
Ibm2 (No. 46) bai? setting a = 13.472 fi b = 18.712 A
DATA:
Ly = 90” REFERENCE:
hkl 1 1 0 2 2 0 1 3 2 2 2 1 0 4 3 1 0 0 2 3 3 0 1 1 1 4 0 2 2 4 3 2 3 3 1 5 2 0 1 3 4 0 2 2 4 2 0 4 0 6 4 1 2 5 3 1 3 4 3 5 1 6 2 4 2 6
346
0 0 0 0 0 1 0 0 2 1 1 2 1 2 0 1 0 0 2 2 0 2 0 2 0 1 1 2 1 0 1 2 0
26'
d
A4
I rel
10.933 9.356 6.736 5.660 5.467 5.069 4.678 4.367 4.222 4.024 3.965 3.938 3.915 3.848 3.842 3.651 3.644 3.606 3.577 3.384 3.368 3.341 3.169 3.134 3.119 3.086 3.050 3.035 3.025 2.875 2.859 2.842 2.830
4 2 2 4 4 8 2 4 2 8 4 8 8 4 4 8 4 4 4 8 2 8 4 4 2 8 8 8 8 4 8 8 4
29.6 41.6 14.9 31.0 3.7 0.2 5.2 36.2 100.0 44.4 31.6 11.8 41.0 12.5 60.4 3.2 0.7 7.3 4.0 14.2 16.5 0.3 2.8 0.2 13.7 3.2 0.5 6.4 1.3 0.4 0.9 7.8 0.4
16:323-802,
c = 8.4431 A y = 90”
p = 90”
J. J. Pluth, J. V. Smith and J. W. Richardson, J Phys. Chem., 92, 2734-2738 (1988).
8.09 9.45 13.14 15.66 16.21 17.50 18.97 20.34 21.04 22.09 22.42 22.58 22.71 23.11 23.15 24.38 24.42 24.69 24.89 26.34 26.46 26.68 28.16 28.48 28.62 28.94 29.28 29.43 29.53 31.11 31.29 31.48 31.61
Zeolites
MnAPO-11
1996
hkl 4 3 3 3 4 4 5 1 4 0 1 7 5 0 4 2 0 6 5 2 5 3 3 6 4 5 2 3 3 0 2 7 1 4 2 6 0 8 3 2 3 7 4 4 4 6 5 4 6 0 1 7 1 8 2 8 5 5 6 1 4 1 2 5 3 4
1 2 0 0 2 0 1 2 2 1 0 1 1 3 3 1 3 2 0 3 0 2 0 1 0 2 1 0 0 1 3 3 3
Jr.,
28
d
A4
Id
h
k
32.01 32.45 32.76 33.60 34.05 34.20 34.95 35.42 35.80 36.29 36.32 36.66 37.47 37.51 37.72 37.74 37.90 38.29 38.49 38.97 39.22 39.27 39.37 40.07 40.16 40.50 40.58 40.84 41.29 41.91 42.12 42.36 42.55
2.796 2.759 2.733 2.667 2.633 2.622 2.567 2.534 2.508 2.475 2.474 2.451 2.400 2.397 2.385 2.384 2.374 2.351 2.339 2.311 2.297 2.294 2.288 2.250 2.245 2.227 2.223 2.210 2.187 2.155 2.145 2.133 2.125
8 8 4 4 4 4 4 8 4 8 4 8 8 8 4 8 8 8 2 8 4 8 4 8 2 8 8 4 4 8 8 8 8
0.6 0.1 17.1 1.0 2.8 6.4 0.3 1.5 2.1 0.1 6.0 1.1 0.5 9.8 6.5 2.0 8.9 0.2 0.3 0.9 0.6 2.4 0.3 0.1 0.2 0.9 0.5 0.4 0.3 1.0 0.9 0.2 0.5
0 1 1 0 0 4 4 6 3 3 2 4 6 1 2 5 5 6 2 3 5 3 3 6 7 0 4 2 2 7 7 6
0 1 6 2 8 3 7 4 7 8 0 6 0 3 8 0 5 2 9 1 7 6 9 5 0 10 5 7 4 2 3 4
1
28
4 42.84 4 43.67 3 43.85 4 43.97 2 44.27 3 44.39 1 44.58 0 44.77 2 44.92 1 45.00 4 45.01 2 45.06 2 45.77 4 45.88 2 46.38 3 46.67 2 46.79 2 46.85 1 46.99 4 47.86 0 47.94 3 48.03 0 48.23 1 48.49 I 48.51 0 48.66 3 48.68 3 48.90 4 49.25 1 49.54 0 49.57 2 49.97
d
A4
IreI
2.111 2.072 2.065 2.059 2.046 2.041 2.032 2.024 2.018 2.015 2.014 2.012 1.982 1.978 1.958 1.946 1.942 1.939 1.934 1.900 1.898 1.894 1.887 1.877 1.876 1.871 1.871 1.863 1.850 1.840 1.839 1.825
2 8 8 4 4 8 8 4 8 8 4 8 4 8 8 4 8 8 8 8 4 8 4 8 4 2 8 8 8 8 4 8
4.7 0.1 0.7 0.3 0.4 0.3 3.0 3.1 0.6 0.6 0.1 0.6 1.2 0.4 0.1 0.1 0.9 0.1 0.2 0.2 0.5 0.6 0.1 0.3 1.8 0.1 0.2 1.3 0.5 0.2 0.9 0.7
Diisopropylamine
AEL
MnAPO-11
0 rr)
Zeolites
16:323-602,
1996
347
AET
AlPOr
COMPOSITION:
A136P360144
CRYSTAL
Cmcm (No. 631 a = 33.;900 A ’ b = 14.7036 A Q = 90” p = 90”
DATA:
REFERENCE:
h
k
2 1 3 0 2 3 5 6 4 1 4 7 6 1 0 8 2 1 7 3 5 6 3 0 0 8 9 5 2 5 0 4 4 10 8 9 1 7 4 7
0 1 1 2 2 1 1 0 2 3 2 1 2 3 0 0 0 1 1 3 3 2 1 4 2 2 1 3 2 1 4 4 2 0 2 1 3 3 4 1
346
1 0 0 0 0 0 1 0 0 0 0 1 0 0 1 2 0 2 2 1 1 0 1 2 0 2 0 0 1 2 2 1 0 2 0 1 1 2 1 1 2
20 5.31 6.57 9.99 12.04 13.16 14.55 14.60 15.97 16.09 18.30 19.27 19.62 20.05 21.16 21.19 21.35 21.86 22.21 22.32 22.49 22.53 22.71 23.47 24.21 24.44 24.58 24.82 24.93 25.03 25.83 26.47 26.51 26.72 26.78 26.81 27.03 28.13 28.23 28.60 29.03
Zeolites
d 16.645 13.450 8.857 7.352 6.725 6.090 6.065 5.548 5.510 4.849 4.605 4.525 4.429 4.198 4.193 4.161 4.066 4.003 3.982 3.954 3.947 3.916 3.790 3.676 3.642 3.621 3.587 3.571 3.558 3.449 3.367 3.362 3.337 3.329 3.325 3.298 3.172 3.161 3.121 3.076
16:323-602,
c = 8.3863 A y = 90”
J. W. Richardson, Jr. and E. T. C. Vogt, Zeolites 12, 13-19 (1992).
M
I rf-21
2 4 4 2 4 8 4 2 4 4 8 4 4 8 2 2 4 8 8 8 4 8 8 2 4 4 4 8 8 8 4 4 8 2 8 8 8 8 8 8
100.0 94.7 17.1 0.2 0.1 0.1 6.9 0.5 7.6 4.7 0.3 2.9 6.0 4.3 27.9 0.5 2.6 5.0 5.7 7.3 0.2 10.1 0.9 4.4 0.2 0.8 5.9 0.2 0.1 0.7 0.2 3.7 1.2 0.4 0.4 0.3 1.1 0.7 0.2 0.8
1996
hkl 6 6 10 11 8 6 3 11 12 0 1 9 3 5 4 8 10 2 13 7 6 10 10 0 2 1 7 7 3 10 6 3 0 9 5 13 5 6 0 9
4 2 2 1 0 4 5 1 0 4 1 1 5 5 4 4 0 2 1 5 4 4 2 6 6 3 5 1 3 4 2 5 6 5 3 3 5 6 4 1
0 2 0 0 2 1 0 1 0 2 3 2 1 0 2 1 2 3 0 0 2 0 2 0 0 3 1 3 3 1 3 2 1 0 3 0 2 0 3 3
20
d
29.14 29.33 29.45 30.15 30.26 31.07 31.47 32.02 32.27 32.39 32.72 32.86 33.28 33.31 34.18 34.26 34.40 34.75 35.59 35.90 36.31 36.41 36.57 36.67 37.08 37.12 37.52 37.83 37.93 38.01 38.07 38.25 38.26 39.13 39.50 39.71 39.81 40.23 40.54 40.93
3.064 3.045 3.033 2.964 2.954 2.878 2.843 2.795 2.774 2.764 2.737 2.726 2.692 2.690 2.623 2.617 2.607 2.581 2.523 2.501 2.474 2.467 2.457 2.451 2.424 2.422 2.397 2.378 2.372 2.367 2.364 2.353 2.352 2.302 2.281 2.270 2.264 2.242 2.225 2.205
Jbf Ire1 4 8 4 4 4 8 4 8 2 4 8 8 8 4 8 8 4 8 4 4 8 4 8 2 4 8 8 8 8 8 8 8 4 4 8 4 8 4 4 8
2.5 1.3 3.0 0.2 0.4 0.3 2.1 0.2 0.8 0.8 0.1 1.4 0.2 1.0 0.6 0.3 0.6 0.2 1.5 0.2 0.7 0.4 0.8 0.6 0.7 1.2 0.2 1.6 1.9 0.2 1.6 0.3 0.2 0.1 0.6 0.3 0.2 0.2 0.2 0.7
h
k
I
20
d
M
Ire1
15 13 7 13 4 12 8 2 0 16 1 3 4 11 3 9 5 13 6 15 8 12 16 14 17 13 1 7 10 7 7 13 7 16 3 10 0 12
1 3 3 1 4 4 6 6 0 0 1 7 6 5 1 5 7 3 6 3 4 4 2 4 1 5 3 7 6 1 7 1 5 0 7 4 6 6
0 1 3 2 3 1 0 2 4 0 4 0 2 1 4 2 0 2 2 1 3 2 1 1 0 0 4 0 1 4 1 3 3 2 2 3 3 0
41.13 41.20 41.77 41.79 42.03 42.21 42.82 43.10 43.15 43.49 43.69 43.87 44.17 44.28 44.40 44.92 45.27 45.44 45.90 46.19 46.27 46.37 46.64 46.77 46.80 47.05 47.23 47.31 47.32 47.81 48.61 48.61 48.86 48.86 49.20 49.26 49.46 49.64
2.194 2.191 2.163 2.162 2.150 2.141 2.112 2.099 2.097 2.081 2.072 2.064 2.050 2.045 2.040 2.018 2.003 1.996 1.977 1.965 1.962 1.958 1.947 1.942 1.941 1.931 1.924 1.921 1.921 1.902 1.873 1.873 1.864 1.864 1.852 1.850 1.843 1.837
4 8 8 8 8 8 4 8 2 2 8 4 8 8 8 8 4 8 8 8 8 8 8 8 4 4 8 4 8 8 8 8 8 4 8 8 4 4
0.1 0.3 1.0 0.1 0.1 0.2 0.1 0.2 1.7 0.3 0.4 0.2 0.3 0.1 0.1 0.2 0.3 0.8 0.4 0.2 0.2 0.4 0.3 0.2 0.3 0.8 0.1 0.1 0.1 0.1 0.4 0.1 0.2 0.3 0.1 0.3 0.3 0.3
AET
AlPOd -8
Zeolites
l&323-802,
1996
349
AFG
Afghanite
COMPOSITION:
(Na22Cag.~)(Si24A1240~s).[(S04)5.3(C03)C12(H20)4]
Locality CRYSTAL
DATA:
P63mc
unknown. (NO.
a = 12.761 A Q = 90”
k 0 0 0
1
1 1 1 2 1 0 2 2 1 2 2 1 2 1 2 2 3 3 2 0 3 1 2 2 3 2 1 2 3 3 2 2 1
0 1 0
2 0 3
350
1 0 2
0 0 1 0 0 0 0 0 1 1 1 0 1 0 0 0 1 0 0 0 0 1 0 2 1 2 0 1 0 1 0
2 4 1 2 4 3 0 4 1 5 2 4 0 1 3 6 2 6 5 4 3 0 6 2 4 1 6 5 7
219 8.00 8.26
9.00 11.51 13.88 14.77 16.04 16.17 16.56 16.57 18.06 18.41 20.32 21.27 21.67 21.68 22.26 22.85 23.13 24.16 24.52 24.69 24.95 25.57 26.24 26.33 27.07 27.24 27.97 28.66 29.21 29.43 29.44 29.80 29.88 30.31
Zeolites
d 11.051 10.708 9.821 7.690 6.381 5.996 5.526 5.481 5.354 5.350 4.910 4.818 4.370 4.177 4.101 4.100 3.994 3.891 3.845 3.684 3.630 3.605 3.569 3.483 3.397 3.385 3.293 3.274 3.190 3.115 3.057 3.035 3.034 2.998 2.990 2.949
16:323-802,
c = 21.416 A y = 120"
E. A. Pobedemskaya, R. K. Rastsvetaeva, L. E. Terenteva and A. N. Saposhnikov, Doklady Akademee Nauk SSSR, 320, 882-886
REFERENCE:
h 1 0 1
186) h = 12.761 A p = 90”
M
Ire1
6 2 12 12 6 12 6 12 2 12 12 12 12 12 12 24 12 24 12 6 12 24 2 12 12 12 24 12 6 12 12 12 24 12 24 12
0.1 1.5 10.2 3.9 6.2 15.8 0.3 1.4 1.5 2.8 0.4 64.9 0.5 1.8 1.2 3.5 28.9 1.7 1.8 100.0 0.3 7.0 0.1 0.3 0.2 2.4 73.6 2.2 2.0 1.7 0.4 0.5 4.9 0.2 0.1 5.0
1996
h
k
3 1 3 1 3 0 4 0 2 2 4 01 2 1 0 0 2 0 4 0 3 1 10 4 0 3 0 3 2 3 2 3 1 1 1 3 2 4 0 4 10 2 0 4 1 3 2 3 0 4 1 1 0 3 1 4 0 3 2 4 1 2 18 5 0 5 01 2 0 4 0
1
28
d
2 3 5
30.33 31.77 32.05 32.40 32.67 32.68 33.01 33.47 33.48 33.50 33.69 34.47 34.82 35.00 35.40 35.66 36.03 36.39 36.42 36.60 37.29 37.32 37.53 37.65 38.24 38.25 38.71 38.72 38.78 39.32 39.44 40.00 40.83 41.05 41.31 41.32
2.947 2.817 2.793 2.763 2.741 2.740 2.714 2.677 2.677 2.675 2.660 2.602 2.577 2.563 2.535 2.518 2.493 2.468 2.467 2.455 2.412 2.409 2.397 2.389 2.354 2.353 2.326 2.325 2.322 2.291 2.285 2.254 2.210 2.199 2.185 2.185
0 4 6 8 7 2 4 8 3 6
0 1 5 8 2 4 8 1 3 7 2 9 6 5 4 3
0 9 6
iv
Ire1
24 24 12 6 12 12 24 2 12 12 24 12 12 12 12 24 24 12 24 12 12 12 24 24 12 24 12 24 12 24 24 24 6 12 12 12
0.5 5.9 3.3 8.2 3.0 7.2 0.3 30.5 0.2 0.1 10.5 2.9 9.1 0.3 0.3 0.2 7.5 0.6 0.1 27.5 6.0 1.0 0.7 0.3 0.5 0.2 1.4 0.4 5.8 0.4 1.3 0.5 0.7 1.3 0.1 0.3
hk
1
28
d
32 30 317 50
5
41.38 41.71 41.71 41.73 42.20 42.50 42.83 43.02 43.32 43.54 43.78 44.16 44.17 44.18 44.34 44.63 44.96 45.37 45.39 45.42 45.71 45.91 46.52 46.53 46.68 47.28 47.41 48.43 48.49 48.94 49.21 49.48 49.52 49.65
2.182 2.166 2.165 2.165 2.142 2.127 2.111 2.102 2.089 2.079 2.068 2.051 2.050 2.050 2.043 2.030 2.016 1.999 1.998 1.997 1.985 1.977 1.952 1.952 1.946 1.923 1.917 1.880 1.877 1.861 1.852 1.842 1.841 1.836
0 33 50 1 42 42 219 22 40 42 50 1 31 30 416 2 5 33 32 512 42 40 1 319 42 5 3 60 32 2
8 2
0 0
10 0 3 10
0 1
1
8 7 2 4 10 8
9 0 1
10 0 4 7
0
4 8 11
1 0
5 4 10
0 0
8 11
(1991).
I@ Ire1 24 12 24 12 2 6 12 12 12 24 24 12 12 24 12 12 24 12 24 12 12 12 24 24 24 12 12 24 24 24 12 6 24 12
1.3 2.8 3.1 0.1 0.4 31.1 0.4 0.3 1.1 0.1 0.2 8.3 3.7 0.3 1.2 0.6 0.5 0.2 0.2 0.3 0.6 0.4 0.3 0.6 1.6 8.5 0.9 1.5 0.4 3.1 0.4 1.3 0.4 0.1
AFG
Afghanite
/ -=j 1
3 -
+
, 4
Zeolites
16:323-802,
1996
351
AFI
Tetrapropylammonium
COMPOSITION:
(A112P12048)'(C3H7)4NF
CRYSTAL
P6cc (No. 184) a = 13.740 A b = 13.740 A p = 90” CL= 90”
DATA:
REFERENCE:
hkl 1 1 2 2 0 1 2 3 1 2 2 2 3
352
0 1 0 1 0 0 1 0 1 0 2 1 1
0 0 0 0 2 2 1 0 2 2 0 2 1
28
d
7.43 12.89 14.89 19.74 20.97 22.27 22.38 22.41 24.69 25.81 25.94 28.95 29.04
11.899 6.870 5.950 4.497 4.237 3.992 3.973 3.966 3.606 3.451 3.435 3.084 3.075
Zeolites
fluoride
16:323-802,
AIP04-5
c = 8.474 W y = 120”
S. Qiu, W. Pang, H. Kessler and J. L. Guth, Zeolites 9, 440-444 (1989).
h!l 6 6 6 12 2 12 24 6 12 12 6 24 24
1996
IreI 100.0 6.3 20.6 42.4 45.3 12.5 55.3 1.3 2.5 0.5 19.6 8.2 5.6
hlcl 4 2 3 3 4 4 4 2 5 3 4 4 3
0 2 1 2 1 1 0 1 0 3 1 2 1
0 2 2 1 0 1 2 3 0 0 2 1 3
20
d
30.04 33.59 34.45 34.52 34.54 36.18 36.92 37.60 37.80 39.34 40.75 41.55 42.11
2.975 2.668 2.604 2.598 2.597 2.483 2.435 2.392 2.380 2.290 2.214 2.173 2.146
M 6 12 24 24 12 24 12 24 6 6 24 24 24
Ire1 11.4 3.7 0.4 1.0 10.3 0.2 2.8 12.1 0.2 0.2 0.8 2.6 1.9
hkl 5 0 1 5 5 1 3 6 3 2 5 4 5
1 0 0 0 1 1 3 0 2 1 1 3 2
0 4 4 2 1 4 2 0 3 4 2 1 0
26
d
42.29 42.68 43.38 43.62 43.68 44.77 45.00 45.75 46.25 47.44 47.66 47.71 47.73
2.137 2.119 2.086 2.075 2.072 2.024 2.015 1.983 1.963 1.916 1.908 1.906 1.905
l%f Ire1 12 2 12 12 24 12 12 6 24 24 24 24 12
1.9 3.0 0.6 1.8 0.2 0.2 1.5 0.8 0.6 0.8 0.4 2.4 2.4
Tetrapropylammonium
fluoride
AFI
AlPOd -5
-=j
I
--====4
Zeolites
16:323-802,
1996
363
AFO
Calcined
COMPOSITION: CRYSTAL
-4hoP10040
DATA:
P1121 (No. 4) unique axis c a = 9.7179 A’ b - 13.7915 A ct = 90” D = 90”
REFERENCE:
h 0 1 1 0 0 1 1 1 0 1 1 2 1 1 2 2 0 2 002 1 1 2 2 0 2 2 0 1 1 2 2 0 1 1 1 1 2 2 3 1 1 2 1 1 202
354
k 1 0
1 0 0
-1 11 2 10 -2 -1 21 1 -2 -1 2 -3 0 -2 3 -1
0
21 -3 01 -2 12 1 -3 3 0 -1 1 -3 2 1 -2 3 -4 20 -4 -2 31 -4 -1 2 -3
0 0 1 1 1 0 0 0 0 0 0 1
1 1 0 0 1 2 2 1 1 2 2 2 0 0 0 0 1 2 2 2
i'eolites
d
20 6.85 9.72 9.73 12.62 13.72 13.74 13.75 14.39 17.36 17.37 17.38 18.26 19.46 19.47 19.52 19.52 20.64 21.15 21.26 22.20 22.21 22.25 22.26 22.36 22.90 22.91 23.25 23.42 23.42 25.29 25.30 25.39 25.40 25.40 25.83 25.84 27.68 27.70 27.76 27.98 27.99 28.16 28.98 28.98 29.01
12.910 9.096 9.093 7.017 6.455 6.445 6.441 6.154 5.109 5.104 5.102 4.859 4.561 4.559 4.548 4.547 4.303 4.201 4.180 4.004 4.003 3.995 3.994 3.976 3.883 3.881 3.826 3.798 3.798 3.522 3.520 3.508 3.507 3.506 3.449 3.448 3.222 3.221 3.214 3.188 3.187 3.169 3.081 3.081 3.078
16:323-802,
c = 8.3591 A y = 110.6”
R,. M. Kirchner and J. M. Bennett, Zeolites 14, 523-528 (1994).
M
I rel
2 2 2 4 2 2 2 4 4 4 4 2 2 2 2 2 2 4 2 4 4 4 4 4 2 2 4 4 4 4 4 4 4 4 2 2 2 2 2 4 4 4 4 4 4
100.0 42.8 35.6 0.6 41.9 10.1 8.6 0.2 0.6 0.3 0.4 10.6 0.1 0.5 0.8 0.9 3.1 0.3 68.3 10.5 9.7 19.5 23.0 3.3 18.0 15.9 13.5 1.6 4.7 1.7 1.8 2.8 3.0 2.1 10.7 11.5 1.6 0.7 1.7 0.6 0.3 2.1 0.9 0.7 0.3
1996
Al Pod-41
h 2 300 3 0 2 3 3 032 3 3 2 2 1 3 0 230 2 1 1 1 1 1 1 3 3 050 2 2 0 1 1 2 3 0 302 3 320 3 4 2 4 1 1 203 2
k
1
-2
2
-3 41 2 -1 -2
0 1 1 1
01 -3 1 1 2 -3 2 4 0 -4 0 1 3 -5 0 -1 3 -4 41 -5 1 -4
0 3 3 2 2 1 1 1
31 -5 2 13 -2 2 -2 5
3 2 2 1
-3
2
-5 -2 -1 -1 2 -3
0 0 3 0 3 3
-2
3
1 3
20
d
M
I I-21
h
29.02 29.46 29.47 29.67 29.71 29.78 29.78 29.80 31.38 31.39 31.45 31.45 32.54 32.64 32.88 33.32 33.33 33.64 33.64 33.69 33.70 34.31 34.32 34.39 34.40 34.74 35.05 35.07 35.08 35.09 35.09 35.17 35.23 36.42 36.61 36.62 36.92 36.94 37.00 37.20 37.67 37.84 37.84 37.87 37.87
3.077 3.032 3.031 3.011 3.007 3.000 3.000 2.998 2.850 2.850 2.845 2.844 2.752 2.744 2.724 2.689 2.688 2.664 2.664 2.660 2.660 2.614 2.613 2.608 2.607 2.582 2.560 2.559 2.558 2.558 2.557 2.552 2.548 2.467 2.454 2.454 2.434 2.433 2.430 2.417 2.388 2.378 2.378 2.376 2.376
4
0.3 11.6 5.1 0.9 0.1 1.4 1.0 1.4 0.4 0.2 2.8 4.4 0.1 0.2 0.3 1.4 4.6 0.1 0.8 4.2 0.6 0.5 0.4 0.2 1.0 2.8 0.5 0.5 0.3 0.3 0.3 0.3 0.3 0.5 1.4 2.2 1.2 1.1 2.6 0.3 0.8 0.2 2.9 6.2 2.2
033 3 4 4 4 1
4
4
4 4 4 4 4 4 4 2 2 2 4 2 4 4 4 4
4
2 2 2 2 1 1 2 0 1 0 3 043 2 2 3 3 3 004 3 3 4 0 3 3 4 4 1 1 1 242 4 4 1 1 2 1 1 3
k
1
2 -2 -1 -3 -6
1 1 1 1 0
0
0
13 -3 3 -5 51 -6 -6 52 3 6 3 2 -4 -1 22 -5 3 -6 -1 1 0 -3 11 -5 -1 5 -6 0 -4 1 -2 -7 4 -5 13
3 2 2 1 1 3 0 0 3 3 3 2 1 1 2 4 3 3 1 4 2 2 2 2 4 4 0 3 3
28 38.49 38.51 38.59 39.24 39.25 39.50 39.63 39.82 39.83 39.86 39.88 41.00 41.01 41.04 41.09 41.67 41.99 42.06 42.88 42.91 42.92 42.96 42.99 43.01 43.29 43.50 43.52 43.66 43.89 44.14 44.15 44.15 44.17 44.48 45.28 45.28 45.30 45.40 45.41 45.64 45.64 46.15 46.37 46.38 46.44
d 2.339 2.337 2.333 2.296 2.296 2.281 2.274 2.264 2.263 2.261 2.261 2.201 2.201 2.199 2.197 2.167 2.152 2.148 2.109 2.108 2.107 2.105 2.104 2.103 2.090 2.081 2.080 2.073 2.063 2.052 2.051 2.051 2.050 2.037 2.003 2.003 2.002 1.998 1.997 1.988 1.988 1.967 1.958 1.958 1.955
M
Id
4 4 4 4 4 2 2 4 4 4 4 4 4 4 4 4 2 2 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4
4.5 0.1 0.2 0.2 0.6 0.2 1.4 0.2 0.8 0.4 0.7 0.2 0.1 0.4 0.2 0.1 0.3 0.9 0.3 0.1 0.3 0.4 0.1 0.3 3.2 0.4 0.4 0.2 0.3 0.3 0.1 0.9 0.8 0.5 0.7 0.1 0.2 0.8 0.9 0.2 0.4 0.1 0.2 0.3 0.2
Calcined
AlPOd
AFO
-41
-J1
Zeolites
16:323-602,
1996
355
AFR
Tetrapropylammonium
COMPOSITION:
(Si7AhgPzsOm).4(C3H7)4NOH
CRYSTAL
Pccn (No. 56) a = 21.9443 A a = 90”
DATA:
REFERENCE:
hkl 1 1 0 2 2 0 0 1 3 0 2 1 2 4 2 2 3 0 1 4 3 2 1 1 4 4 1 5 2 4 4 3 5 3 0 1 1 5 2 4 6 2 5 5 0 0 0
356
0 1 0 2 0 1 1 0 2 2 0 1 2 0 2 2 1 1 2 3 1 0 2 3 1 1 1 2 2 1 3 3 2 3 0 2 2 0 3 1 2 0 1 4
0 1 2 0 2 0 2 2 1 0 0 2 1 2 2 2 1 2 2 0 3 2 0 1 0 3 2 1 2 1 0 2 3 2 2 3 2 0 2 2 1 4 4 0
20 7.61 8.06 12.06 12.42 12.93 13.06 13.73 14.01 14.83 14.91 15.26 16.16 16.18 16.48 17.38 17.97 18.42 18.50 18.55 19.72 19.87 20.20 20.43 20.75 20.83 21.26 21.39 21.45 21.68 21.72 22.17 22.97 23.14 23.15 23.50 23.81 24.21 24.25 24.34 24.54 24.70 24.90 25.00 25.84 26.03
Zeolites
SAPO-40
d 11.616 10.972 7.339 7.124 6.846 6.776 6.452 6.320 5.975 5.940 5.808 5.486 5.476 5.378 5.104 4.936 4.816 4.795 4.782 4.502 4.468 4.396 4.347 4.281 4.263 4.179 4.153 4.143 4.100 4.092 4.010 3.872 3.843 3.842 3.785 3.737 3.677 3.669 3.657 3.627 3.605 3.576 3.562 3.447 3.423
16:323-602,
b = 13.6911 A p = 90”
c = 14.2486 A y = 90”
L. B. McCusker and Ch. Baerlocher, Microporous Materials, in press.
A4 4 2 8 2 2 4 4 4 4 8 4 2 8 8 4 4 8 8 8 8 4 8 4 4 8 4 8 8 8 8 8 4 4 8 8 4 8 8 2 8 8 8 2 4 2
1996
I rel
h
k
100.0 72.8 0.1 52.5 0.7 3.5 46.6 48.3 0.5 0.1 3.8 0.3 1.3 0.2 11.4 0.4 17.4 0.5 22.8 5.2 37.6 0.4 13.4 3.1 1.0 2.8 1.7 11.7 1.2 13.2 1.3 13.9 5.6 2.0 4.5 18.9 0.2 9.4 0.4 2.2 14.7 0.3 1.1 2.5 19.8
4 1 3 2 2 5 2 6 6 3 6 0 4 1 3 5 0 1 2 3 4 6 4 4 3 5 7 4 3 7 0 5 8 2 1 4 1 6 7 3 7 5 8 0 6
3 1 3 0 1 2 4 0 2 0 1 2 3 2 1 3 4 4 2 3 0 2 1 4 2 3 0 4 4 1 3 0 0 3 5 4 5 3 2 3 3 2 0 5 0
1 1 4 2 4 4 2 0 2 0 4 2 4 2 4 4 1 2 2 4 3 4 2 4 0 4 2 2 1 2 2 4 4 0 4 0 2 1 2 2 4 0 4 2 2 4
28
d
26.16 26.17 26.19 26.30 27.11 27.19 27.29 27.41 27.65 27.86 28.19 28.24 28.35 28.54 28.62 28.91 28.94 29.23 29.41 29.77 29.91 30.42 30.63 30.79 30.82 30.93 31.17 31.44 31.47 31.86 31.87 32.37 32.64 32.92 32.96 33.32 33.58 33.83 33.87 34.20 34.72 34.99 35.05 35.11 35.17
3.407 3.406 3.402 3.388 3.289 3.280 3.267 3.254 3.226 3.203 3.165 3.160 3.148 3.128 3.118 3.088 3.085 3.055 3.036 3.001 2.988 2.939 2.919 2.904 2.901 2.891 2.869 2.845 2.843 2.808 2.808 2.766 2.743 2.720 2.717 2.689 2.669 2.649 2.646 2.621 2.584 2.564 2.560 2.556 2.552
Al 8 8 8 4 8 8 4 4 4 4 8 8 8 8 8 4 8 8 8 4 8 8 4 8 8 4 8 8 8 4 4 2 8 4 8 8 8 8 8 4 8 4 4 4
I rel 0.4 3.0 4.2 0.7 0.4 0.1 4.0 16.3 6.3 31.8 3.9 1.1 2.1 1.2 1.9 0.1 0.7 3.6 0.2 0.1 0.2 3.6 3.2 2.0 1.4 0.1 1.6 0.2 1.1 3.7 0.9 5.2 0.4 0.9 0.2 3.1 0.1 3.1 0.4 0.4 0.1 1.1 0.3 9.9 0.2
h k 1 8 6 4 6 2 3 7 3 2 9 6 0 5 2 6 0 3 1 5 2 2 4 9 0 9 3 5 4 8 1 7 10 9 8 0 0 1 4 5 3 8 2 4 10
5 1 1 3 4 5 2 3 5 4 1 2 0 3 3 4 1 4 1 5 0 5 5 0 6 1 0 2 4 3 2 2 0 2 0 6 5 5 1 4 2 4 5 6 0
1 2 2 4 4 0 2 5 2 2 4 0 4 6 4 5 2 6 4 6 0 6 3 2 2 0 2 6 5 4 2 6 4 0 2 4 2 4 4 6 4 6 0 4 0 2
20 35.35 35.68 35.79 35.93 35.93 36.08 36.29 37.01 37.26 37.34 37.46 37.62 37.89 38.04 38.12 38.16 38.47 38.50 38.70 38.76 38.80 38.84 38.87 39.04 39.49 39.62 39.91 39.95 40.06 40.40 40.41 40.53 41.13 41.30 41.55 41.56 41.60 41.81 41.98 42.00 42.13 42.22 42.44 42.93 43.13
d 2.539 2.516 2.509 2.500 2.499 2.489 2.476 2.429 2.413 2.408 2.401 2.391 2.375 2.365 2.361 2.358 2.340 2.339 2.327 2.323 2.321 2.319 2.317 2.307 2.282 2.275 2.259 2.256 2.251 2.233 2.232 2.225 2.194 2.186 2.173 2.173 2.171 2.160 2.152 2.151 2.145 2.141 2.130 2.107 2.097
AJ Ire1 8 8 8 8 4 8 8 8 8 8 4 8 2 8 8 8 4 8 8 4 4 8 8 4 2 8 4 8 8 8 8 8 2 8 4 4 4 8 8 8 8 4 8 4 4
0.1 0.4 2.8 2.0 3.3 1.5 0.1 0.4 0.7 0.8 1.6 1.2 1.1 0.3 0.1 5.6 2.4 2.5 0.3 0.1 0.2 0.1 0.2 0.3 1.7 0.3 1.8 0.2 0.1 1.1 1.5 0.3 0.2 3.5 0.3 0.4 0.1 0.1 0.1 0.8 0.8 0.2 1.0 1.2 0.6
Tetrapropylammonium
SAPO-40
-0
r
-J
-0
Zeolites
16:323-602,
1996
357
AFS
Di-n-propylamine
COMPOSITION:
(MgsAl22PzsSizOll2).8(C3H7)2NH.l4H20
CRYSTAL
P3cl (No. 158) a = 13.2251 A b = 13.2251 p = 90” 05= 90”
DATA:
REFERENCE:
hkl 0 0 2 1 0 0 0 1 2 1 0 1 1 1 0 1 1 1 0
0 2 1 2 1 1 1 2 1 2 1 0 3 2
0 2 1 2
0 0 1 1 1 1 0 1 1 0 2 1 2 1 0 1 2 1 2 1 1 3
0 3 2
358
7.72 10.15 10.15 13.17 13.39 13.79 14.93 15.28 15.28 16.66 18.82 19.81 20.37 20.52 20.78 20.78 21.29 21.29 21.57 21.57 22.81 22.81 23.99 24.23 24.23 24.46 25.23 25.23 26.43 26.43 26.52 26.84 26.85 26.85
0 2
0 26.97
1 2
0 2 1
0 0 1
20 6.57
2 4 0 1 2 4 4 3 4 6 4 0 1 1 6 5 2 2 3 3 6 2 2 4 6 6 5 5 8 7 4 4
0
1 3
Zeolites
MAPS0-46
d 13.446 11.453 8.719 8.719 6.723 6.613 6.421 5.934 5.798 5.798 5.321 4.714 4.482 4.360 4.329 4.274 4.274 4.174 4.173 4.121 4.121 3.898 3.898 3.710 3.673 3.673 3.640
3.529 3.529 3.372 3.372 3.361 3.322 3.320 3.320 3.306
16:323-802,
A c=
26.8922 y = 120”
A
J. M. Bennett and B. K. Marcus, In “Innovations in Zeolite Material Science (Stud. Surf. Sci. Catal. No. 37)“, Grobet, P. J., Mortier, W. J., Vansant, E. F., Schulz-Ekloff, G., Eds. Elsevier: Amsterdam; pp. 269-279 (1987). And J. M. Bennett. Private Communication.
A4
I rel
h
k
1
20
d
2 6 6 6 2 6 12 12 6 6 12 12 2 6 12 12 12 6 12 12 12 12 12 12 6 6 12 6 6 12 12 2 12 6 6 6
13.6 100.0 0.1 0.2 7.8 0.2 3.4 5.4 1.6 2.2
2 2 1 3 1 2 2 1 3 1 1 3 2 0 3
2 2 3 1 2 1 2 3 1 1 3 1 2 3
27.17
3.282 3.211 3.155 3.155 3.114 3.114 3.102 3.091 3.091
0
2
2 1 2 1 3 4 2 4 1 2
0 2 1 3 1
1 2 1 1 6 6 3 2 2 8 3 3 4 6 6 8 8 7 7 4 4
0
0
2
5 2 9 6 4 4
1996
9.2 0.1 4.4 0.5 2.5 0.1 0.6 1.0 2.0 3.6 6.7 5.3 1.4 3.2 1.4 2.1 0.6 0.5 0.2 0.5 0.3 0.5 5.7 0.7 0.3
0.9
0 4 3 2 3 3 2 4 1 1
0
0 1 2 4
0 2 3 2 1 2 1 1 2
0 1 1 6 7 0 10 9
27.79 28.29 28.29 28.67 28.67 28.78 28.88 28.88
29.82 2.997 29.84 2.994 29.84 2.994 30.12 2.967 30.76 2.906 30.76 2.906 30.84 2.899 30.84 2.899 31.12 31.12 31.14 31.14 31.24 31.77 31.96 32.89 33.68 34.03 34.03 34.12 34.29 34.29 34.61 35.83 35.93 36.05 36.54
2.873 2.873 2.872 2.872 2.863 2.817 2.800 2.723 2.661 2.634 2.634 2.628 2.615 2.615
2.592 2.506 2.499 2.491
2.459
A4 Ire,
h
k
12 12 12 12 12 12 12 12 12 12 12 12 12 6 6 6 6 12 12 12 12 6 12 6 12 12 6 6 12 12 12 12 12 12 12 12
2 2 4 1 5 2 3 4
1 0
0.2 2.2 0.6 0.5 0.6
0.9 4.4 0.3 0.1 0.6 0.3 0.8 1.0 0.3 0.2 0.5 0.5 0.7 0.7 0.6 0.3 1.1 0.8 0.1 1.8 0.2 0.2 0.3 0.2 0.6 0.7 0.1 0.4 1.7 0.1 0.5
0 4
0 3 2 1
0
0
2 3 13 2 4 1 1 4 2 2 2 3 5 1 5 3 3 1 3 3 6 1 2 1 3
2 3 4 2 1 4 1
0 2 3 2 1 5 1 3 3 1 1 3 0 2 1 1 3
1 9 10 6 3 0 6 6 5 12
9 1 9 2 2 12 7 7 12 10
8 8 0 1 1
5 6 13 11 7 0 13 13 14 8
28 36.54 36.93 37.26 37.35 39.33
39.76 39.76 39.77 40.24 40.70 41.09 41.49
42.29 42.29 42.60 43.18 43.18 43.36 43.37 43.73 43.73 44.02 44.15 44.15 44.42 45.88 45.97 46.89 47.56 47.64 48.79 48.79 49.41 49.45
d
M
Ire,
2.459
12 6 6 12 6 12 12 12 2 12 12 12 12 12 12 12 12 6 12 12 12 12 12 12 12 12 12 12 12 6 12 12 12 12
0.7 0.1 0.2 0.1 0.1 0.1 0.1 0.2 0.1
2.434 2.413 2.408 2.291 2.267 2.267 2.266 2.241 2.217 2.197 2.176 2.137 2.137 2.122
2.095 2.095 2.087 2.086 2.070 2.070 2.057 2.051 2.051 2.040 1.978 1.974 1.937 1.912 1.909 1.867 1.867 1.845 1.843
0.7 0.5 0.1 0.2 0.1 0.2 0.1 0.1 0.1 0.1 0.2 0.3 0.8 0.2 0.2 0.2 0.2 0.6 0.1 0.1 0.5 0.2 0.3 0.2 0.2
Di-n-propylamine
AFS
MAPSO-
-4
Zeolites
16:323-602,
,
1996
369
AFT
Calcined,
COMPOSITION: CRYSTAL
partially
DATA:
P3lc
(No.
163) b = 13.715 A p = 90”
a = 90” REFERENCE:
k
1
0 0 0 1 0 0 0 0 0 0 0 1 -1 1 -1 1 -1 -1 0 0 1 -1 -1 0 0 2 0 1 1 -1 0
1 1 1 1 2 2 1 2 0 2 2 3 2 3 2 3 2 1 3 2 3 3 1 2 2 3 3 3 4 1
360
1 1 2 3 0 4 1 2 5 3 6 4 1 1 2 2 3 3 6 7 0 4 4 5 8 7 0 5 1 2 2 9
28 8.02 9.54 11.64 12.91 14.07 15.21 16.07 16.70 17.42 17.93 19.14 20.00 20.00 20.67 20.67 21.74 21.74 22.16 22.26 22.46 23.16 23.16 24.87 25.15 25.82 25.99 27.07 27.24 27.74 27.74 28.08
Zeolites
d 11.027 9.273 7.601 6.858 6.292 5.823 5.514 5.309 5.092 4.946 4.636 4.439 4.439 4.297 4.297 4.088 4.088 4.011 3.993 3.959 3.841 3.841 3.580 3.541 3.451 3.429 3.294 3.274 3.216 3.216 3.177
AIP04-52
(A1&‘360144).&I20
a = 13.715 A
h
rehydrated
c = 29.676 ii y = 120”
N. K. McGuire, C. A. Bateman, C. S. Blackwell, S. T. Wilson and R. M. Kirchner, Zeolites 15, 460-469 (1995).
M
IreI
hk
12 12 12 6 12 12 12 12 12 2 12 12 12 12 12 12 12 6 12 6 12 12 12 12 12 6 12 12 12 12 12
69.6 100.0 36.5 41.0 3.3 4.8 11.2 0.2 5.8 17.7 1.2 7.2 4.9 15.5 6.9 9.7 3.1 2.1 2.5 1.6 1.9 0.1 0.3 7.2 0.1 13.6 0.1 0.4 0.9 0.3 6.9
2 3 4 3 2 3 4 4 4 2 4 1 2 3 4 2 4 4 3 5 2 3 2 1 3 5 4 4 5 5 2
16:323-902,1996
126’ 0 1 -1 0 1 -1 -1 0 0 0 -1 0 1 -1 0 2 -2 0 2 -2 1 -1 0 0 2 -2 1 1 -2 -2 1
8 3 3 6 7 7 4 1 2 9 5 10 8 8 3 6 6 4 2 2 9 9 10 11 3 3 0 1 4 5 10
28.37 28.56 28.56 28.89 28.97 28.97 29.67 30.25 30.71 31.02 31.05 31.06 31.28 31.28 31.45 31.75 31.75 32.48 33.43 33.43 33.73 33.73 33.76 34.08 34.13 34.13 34.61 34.74 35.08 36.28 36.29
d 3.146 3.126 3.126 3.091 3.082 3.082 3.011 2.955 2.912 2.883 2.880 2.879 2.860 2.860 2.844 2.818 2.818 2.757 2.680 2.680 2.658 2.658 2.655 2.631 2.627 2.627 2.592 2.582 2.558 2.476 2.476
J‘f
IreI
12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 6 6 12 12 12 12 12 12 12 12 12 12 12 12 12 12
0.9 0.5 0.9 0.2 0.5 1.2 0.5 5.3 9.5 0.7 0.1 3.1 1.4 3.3 5.5 0.3 1.0 1.2 0.5 0.2 1.9 3.2 0.6 0.4 0.4 0.4 5.4 0.1 0.2 0.1 0.8
hk 3 4 5 *5 4 3 r I 5 4 5 4 6 4 4 3 3 6 5 4 6 1 4 4 7 5 6 5 2 5 1
1 -1 0 -1 0 0 -1 0 3 0 0 0 2 -2 2 0 0 3 -3 0 0 0 0 3 3 -3 0 -2 2 0 0 0
10 7 5 2 8 11 3 0 4 9 5 4 4 5 10 12 6 6 8 11 0 15 1 2 2 9 8 0 15 10 16
28
d
A4
IreI
36.29 36.96 37.88 38.37 38.85 38.95 38.99 39.42 39.85 40.90 40.92 42.05 42.05 43.08 43.09 43.13 43.62 43.62 45.33 45.42 45.84 46.54 46.61 46.93 46.93 47.15 47.33 47.82 48.50 49.13 49.75
2.476 2.432 2.375 2.346 2.318 2.312 2.310 2.286 2.262 2.206 2.205 2.149 2.149 2.099 2.099 2.098 2.075 2.075 2.001 1.997 1.980 1.951 1.948 1.936 1.936 1.927 1.920 1.902 1.877 1.855 1.832
12 12 12 12 12 12 12 6 12 12 12 12 12 12 12 12 6 6 12 12 6 12 12 12 12 12 12 12 12 12 12
1.1 0.1 0.1 0.4 0.3 0.1 1.0 0.3 1.3 0.6 0.4 0.1 0.1 0.1 0.5 1.2 1.0 1.8 0.2 0.3 0.2 0.6 0.2 0.6 0.1 1.3 0.1 2.0 0.1 1.6 0.4
Calcined,
partially
rehydrated
AlPOd -52
Zeolites
16:323-802,
1996
361
AFX
SAP&56 COMPOSITION:
Si5A123P20096:
CRYSTAL
P%c (No. 163) a = 13.7617 A b = 13.76 1 7 A a! = 90” p = 90”
DATA:
REFERENCE:
h
k
1
29
1 1 1 1 2 1 2 2 0 1 2 2 2 3 2 3 1 3 1 2 3 2 2 3 2 4 1
0 0 0 1 0 0 0 0 0 0 1 0 1 -1 1 -1 1 0 0 1 -1 2 1 -1 0 -1 0
0 1 2 0 0 3 1 2 4 4 0 3 1 1 2 2 4 0 5 3 3 0 4 4 5 1 6
7.42 8.64 11.57 12.87 14.87 15.26 15.52 17.33 17.78 19.29 19.71 20.01 20.21 20.21 21.65 21.65 22.01 22.38 23.51 23.86 23.86 25.90 26.67 26.67 26.89 27.35 27.86
362
Zeolites
d 11.918 10.231 7.649 6.881 5.959 5.807 5.710 5.116 4.987 4.601 4.505 4.438 4.394 4.394 4.105 4.105 4.038 3.973 3.783 3.729 3.729 3.440 3.343 3.343 3.315 3.261 3.203
16:323-802,
c = 19.949 A y = 120”
N. K. McGuire, C. S. Blackwell, C. A. Bateman, and R. M. Kirchner, Private communication.
M
Ire1
hkl
6 12 12 6 6 12 12 12 2 12 12 12 12 12 12 12 6 6 12 12 12 6 12 12 12 12 12
30.0 100.0 54.0 43.2 1.4 0.2 8.0 8.7 19.1 1.5 4.4 0.8 7.3 14.8 3.8 15.7 1.5 2.5 4.7 0.1 0.3 12.6 0.8 0.4 0.3 0.7 11.9
3 4 3 3 2 4 3 4 4 2 4 2 4 1 4 2 3 3 5 4 2 3 5 4 2 3 4
1996
1 -1 0 -1 1 0 1 -1 0 0 0 2 -2 0 0 1 -1 2 -2 1 0 2 -2 1 1 -1 0
2 2 4 5 5 0 3 3 1 6 2 4 4 7 3 6 6 2 2 0 7 3 3 3 7 7 5
28
d
28.45 28.45 28.73 29.92 29.92 29.99 30.19 30.19 30.33 30.79 31.33 31.59 31.59 32.30 32.94 33.50 33.50 34.00 34.00 34.49 34.90 35.50 35.50 37.12 37.34 37.34 37.68
3.138 3.138 3.107 2.987 2.987 2.980 2.960 2.960 2.947 2.903 2.855 2.832 2.832 2.772 2.719 2.675 2.675 2.637 2.637 2.601 2.571 2.529 2.529 2.422 2.408 2.408 2.387
M 12 12 12 12 12 6 12 12 12 12 12 6 6 12 12 12 12 12 12 12 12 12 12 12 12 12 12
IreI 1.2 0.9 0.2 1.1 2.6 2.0 0.5 0.1 10.3 1.8 9.0 0.9 0.2 1.4 0.3 4.0 3.9 1.0 0.2 4.6 0.4 0.5 0.2 0.2 0.6 0.2 0.2
S. T. Wilson
h
k
5 2 5 3 5 6 4 4 6 4 5 3 6 3 6 4 4 6 1 7 5 4 7 5 5 2 5
0 -1 0 3 0 -2 0 2 -2 1 -1 0 -1 3 -3 0 -2 0 0 -3 0 3 -3 -1 2 0 0
1
28
1 38.02 8 38.39 2 38.84 0 39.28 3 40.19 1 40.30 6 40.66 2 41.08 2 41.08 5 41.44 5 41.44 8 42.82 2 43.23 4 43.42 4 43.42 7 43.96 8 44.89 0 45.67 10 46.13 1 46.58 6 46.90 2 47.28 2 47.28 7 47.32 0 47.65 10 48.10 7 49.88
d
M
Ire,
2.367 2.344 2.318 2.294 2.244 2.238 2.219 2.197 2.197 2.179 2.179 2.112 2.093 2.084 2.084 2.059 2.019 1.986 1.967 1.950 1.937 1.923 1.923 1.921 1.908 1.892 1.828
12 6 12 6 12 12 12 12 12 12 12 12 12 6 6 12 6 6 12 12 12 12 12 12 12 12 12
0.1 0.3 1.7 0.4 1.1 0.2 1.2 0.1 0.2 0.1 0.2 1.1 0.3 1.6 1.0 0.4 0.2 0.1 0.9 0.4 2.4 0.3 0.1 0.2 2.6 0.2 1.7
AFX
SAP04-56
Zeolites
16:323-602,
1996
363
AFY
Di-n-propylamine
CRYSTAL
DATA:
P3 (No. 147) a = ‘12.7468 ‘A a = 90”
REFERENCE:
hkl 0 0 0 1 0 2 1 2 1 3 3 1 2 0 0 2 0 3 3 3 1 3 0 4 0 4 4
26’ 1 0 0 1 1 1 1 0 2 0 -1 1 2 0 1 0 2 1 -2 1 -1 1 1 2 -1 2 3 0 2 2 0 2 3 1 0 1 -2 2 -1 2 3 0 1 0 0 3 -2 1 1 3 -3 1 -1 1
364
8.01 9.81 12.68 13.89 16.06 17.04 21.29 21.29 23.49 23.49 23.49 24.18 24.18 24.19 25.51 25.51 26.16 26.16 29.16 29.16 29.17 29.17 29.73 29.73 30.84 30.84 30.84
Zeolites
d 11.039 9.015 6.983 6.373 5.519 5.204 4.172 4.172 3.786 3.786 3.786 3.680 3.680 3.680 3.491 3.491 3.407 3.407 3.062 3.062 3.062 3.062 3.005 3.005 2.900 2.899 2.899
16:323-802,
CoAPO-50
b = 12.7468 A p = 90”
c = 9.0153 A y = 120”
J. M. Bennett and B. K. Marcus, In “Innovations in Zeolite Material Science (Stud. Surf. Sci. Catal. No. 37)“, Grobet, P. J., Mortier, W. J., Vansant, E. F., Schulz-Ekloff, G. Eds. Elsevier: Amsterdam; pp. 269-279 (1987). and J. M. Bennett, Private Communication.
k?
I l-4
6 2 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 2 6 6 6 6
100.0 8.8 5.1 2.8 1.2 3.1 0.2 0.5 0.3 9.5 12.5 1.3 19.4 3.6 0.5 3.1 3.0 4.4 3.6 0.4 0.7 0.4 0.3 9.2 0.2 2.1 1.5
1996
h 0 3 0 1 2 0 2 0 4 2 4 4 4 2 1 2 3 1 4 4 1 4 5 5 0 5 0
k 3 0 4 1 -1 2 0 4 0 2 -2 -3 -1 3 2 1 2 4 1 0 4 1 -4 -1 1 -2 5
1 2 2 0 3 3 3 3 1 1 2 2 2 2 0 3 3 1 0 0 2 1 1 1 1 4 2 0
28 31.38 31.38 32.44 32.95 32.95 33.97 33.97 33.97 33.97 34.47 34.47 35.44 35.44 35.44 36.86 36.86 36.86 37.33 37.33 38.24 38.69 38.69 38.69 38.69 40.86 40.87 40.87
d 2.850 2.850 2.760 2.718 2.718 2.639 2.639 2.639 2.639 2.602 2.602 2.533 2.533 2.533 2.439 2.439 2.438 2.409 2.409 2.354 2.327 2.327 2.327 2.327 2.208 2.208 2.208
M 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6
IreI
hskl
1.6 1.7 0.2 3.2 0.1 0.9 0.3 1.1 0.1 0.6 0.4 0.3 0.8 0.2 0.7 0.4 0.2 1.3 1.9 0.3 0.2 0.3 0.2 0.1 0.3 0.1 0.1
2 4 0 1 2 5 3 2 4 4 4 6 1 0 5 1 5 3 5 5 3 6 5 2 0
2 -2 5 1 -1 -4 3 0 2 0 2 -4 2 5 0 5 1 2 -3 -2 3 -3 -1 2 6
3 3 1 4 4 2 0 4 0 3 1 1 4 2 2 0 0 3 3 3 2 2 3 4 0
20
d
41.29 41.29 42.14 42.54 42.54 42.55 42.55 43.36 43.37 44.58 44.58 44.58 45.75 45.76 45.76 45.76 45.76 46.92 46.92 46.92 47.30 47.30 48.43 49.54 49.54
2.186 2.186 2.144 2.125 2.125 2.125 2.124 2.087 2.086 2.033 2.033 2.033 1.983 1.983 1.983 1.983 1.983 1.937 1.937 1.937 1.922 1.922 1.880 1.840 1.840
-bl Ire, 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6
1.7 0.2 0.3 0.5 0.2 0.3 0.5 0.3 0.5 0.1 0.2 0.5 0.5 0.2 0.3 0.4 0.3 0.2 0.8 0.5 0.6 0.5 0.4 0.8 2.2
Di-n-propylamine
AFY
CoAPO-50
Zeolites
16:323-902,
1996
365
AHT
AlPOd - H2 COMPOSITION:
(A16P60z4)
CRYSTAL
P1121 (No. 4) unique axis c b = 9.914 A a = 9.486 A p = 90” cy = 90”
DATA:
REFERENCE:
h 0 1 1 0 1 1 1 1 2 1 020 1 2 0 2 0 2 0 1 1 2 1 2 1 1 1 2 2 3 1 2 0 2 1 3 2 3 202 030 3
366
k 10 -1 0 1 -1 01 -2 10 -1 -2
0 0 1 1 0 0 1
11 -1 0 0 21 -2 12 -1 0 01 -3 -3 -2 2 1 -1 1 -1 -3 -3 2 -2 2 -2 1 -1
0 0 2 0 2 2 0 0 1 1 2 2 1 1 1 1
-3
0
1 2 0 1 2 2
28
d
hl
Id
8.454 8.452 8.089 5.859 5.858 5.733 4.957 4.738 4.737 4.232 4.227 4.093 4.092 4.063 4.045 3.750 3.749 3.662 3.662 3.631 3.621 3.238 3.238 3.142 3.134 3.084 3.084 3.076 3.076 3.008 3.008 2.929 2.929 2.924 2.924 2.877 2.877 2.866 2.818 2.817
2 2 2 4 4
77.2 100.0 0.3 15.6 6.9 1.3 16.0 7.3 3.3 6.8 0.5 18.9 13.3 70.9 8.8 28.7 18.8 25.3 20.5 7.1 0.7 15.5 19.2 14.0 0.9 9.6 12.6 25.8 20.2 2.6 10.6 2.9 3.1 1.7 2.1 3.2 5.9 7.3 8.8 11.8
Zeolites
16:323-802,
c = 8.126 A y = 121.49”
J. B. Higgins, Private Communication.
10.46 10.47 10.94 15.12 15.12 15.46 17.89 18.73 18.73 20.99 21.02 21.71 21.72 21.87 21.98 23.73 23.73 24.30 24.31 24.52 24.59 27.55 27.55 28.40 28.48 28.95 28.95 29.03 29.03 29.70 29.70 30.52 30.52 30.57 30.58 31.09 31.09 31.20 31.75 31.76
1
.4HzO
2 2 2 2 4
4 2 2 4 2 4 4 2 2 4 4 4 4
1996
h 3 0 3 0 1 1 3 1 2 1 3 2 2 3 1 2 1 4 1 2 0 3 1 4 0 2 1 3 2 4 4 2 302 1 4 3 4 2 0 4
k 00 3 -3 1 -1 0 01 -3 -3 2 -2 -4 1 -1 -2 -4 -4 -2 1 -1 3 -3 3 -3 23 -2 -4 -4 2 -2 -1 03
1 1 1 3 3 3 2 2 2 2 0 2 2 3 1 0 0 3 3 2 2 0 0 3 1 1 1 1 0
3 1 -3 1 11 -1 1 -4 2 40 -4 0
28
d
33.23 33.66 33.67 34.78 34.78 34.93 35.06 35.45 35.45 36.20 36.20 36.24 36.64 36.64 37.85 37.95 37.97 37.99 38.28 38.28 38.89 38.90 38.95 38.96 39.51 39.52 39.61 39.62 39.63 39.64 40.06 40.06 40.14 40.56 40.57 41.63 41.64 42.73 42.78 42.79
2.696 2.662 2.662 2.579 2.579 2.568 2.559 2.532 2.532 2.482 2.481 2.478 2.453 2.452 2.377 2.371 2.370 2.368 2.351 2.351 2.316 2.315 2.312 2.312 2.281 2.280 2.275 2.275 2.274 2.274 2.251 2.251 2.247 2.224 2.223 2.169 2.169 2.116 2.113 2.113
h!l
I rel
h
k
2 4 4 4 4
20.3 4.6 5.1 2.0 0.9 0.9 0.5 1.9 3.0 1.5 1.9 0.9 1.8 3.8 1.9 1.2 0.4 0.4 7.8 1.4 0.2 1.4 0.3 1.4 0.3 4.4 0.8 1.5 1.1 0.8 0.2 0.7 0.3 0.8 0.8 1.9 0.9 0.4 0.2 0.3
1 2 1 3 1 2 4
-3 -3 2 -2 -4 2 -2 4 -4 1 -1
3 3 3 3 2 2 2 1 1 3 3
3 1 -1 0 1 -1 -5 0 33 -3 -5 -5 -3 -2
2 4 4 4 2 2 0 1 3 1 1 0 4
-4 1 -1 3 -3
2 4 4 1 1
-2 -4 4 2 -4 -2
4 3 0 1 0 1
4 4 4
4 4 2 2 4 4 4 4 4 4 2 4 4 4 4 4 4 4 2 2
0 4 2 3 004 1 0 1 1 3 4 2 4 0 3 2 3 5 1 042 4 1 2 2 5 024 2 2 1 3 5 5
1
20
d
l+l
Ire1
43.56 43.56 44.19 44.20 44.24 44.26 44.27 44.28 44.29 44.57 44.57 44.60 45.11 45.94 45.94 46.07 46.10 46.10 46.12 46.26 46.50 46.51 47.53 47.54 48.04 48.42 48.55 48.56 48.77 48.77 49.40 49.42 49.80 49.80 49.87 49.98 49.98 49.99 49.99
2.078 2.078 2.049 2.049 2.047 2.046 2.046 2.045 2.045 2.033 2.033 2.032 2.010 1.975 1.975 1.970 1.969 1.969 1.968 1.962 1.953 1.953 1.913 1.913 1.894 1.880 1.875 1.875 1.867 1.867 1.845 1.844 1.831 1.831 1.829 1.825 1.825 1.825 1.825
4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 2 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 2 4 2 4
1.1 0.5 0.7 0.2 0.2 0.9 0.8 0.6 0.4 0.2 0.2 5.9 0.8 1.4 0.7 1.3 0.3 1.0 0.2 0.2 0.8 0.3 1.5 1.3 0.6 2.8 0.5 1.4 2.2 2.1 4.7 1.0 3.3 2.0 0.3 4.0 3.0 1.9 1.4
AHT
AlPOd -H2
----:I Zeolites
16:323-902,
1996
367
ANA
Analcime
COMPOSITION:
Na16(Si32A116096).16H20 Cyclopean Islands, Greece.
CRYSTAL
Ia3d (No. 230) a = 13.73 A h = 13.73 A cy = 90” p = 90”
DATA:
REFERENCE:
2 2 3 4 3 4 4
368
1 2 2 0 3 2 3
1 0 1 0 2 2 1
G. Ferraris: D. W. Jones and J. Yerkess: Z. Kristallogr., 135, 240-252 (1972).
20
d
Al
IreI
hkl
15.81 18.28 24.25 25.96 30.54 31.93 33.27
5.605 4.854 3.670 3.432 2.927 2.803 2.693
24 12 48 6 24 24 48
60.2 14.1 5.4 100.0 51.3 5.5 14.8
5 4 5 6 6 5 6
hkl
Zeolites
16:323-802,
c = 13.73 A y = 90”
1996
28 2 4 3 1 2 4 3
1 0 2 1 0 1 1
35.82 37.04 40.50 40.50 41.60 42.68 44.77
d 2.507 2.427 2.227 2.227 2.171 2.119 2.024
i-M
IreI
hkl
48 12 48 24 24 48 48
11.9 7.7 5.5 2.8 1.0 0.9 1.3
4 5 6 5 6 7 6
26’ 4 4 4 5 3 2 4
4 3 0 2 3 1 2
45.78 46.78 47.77 48.74 48.74 48.74 49.69
d
Aff
Ire1
1.982 1.942 1.904 1.868 1.868 1.868 1.835
8 48 24 24 24 48 48
0.4 0.7 14.9 0.2 6.9 2.3 0.4
ANA
Analcime
/I --=-A
Zeolites
16:323-802,
1996
369
APC
Hydrated
COMPOSITION:
(~h&6064)~~~~20
CRYSTAL
Pbca (No. 61) a = 19.3525 ii cl! = 90”
DATA:
REFERENCE:
hkl 2 2 1 2 0 0 4 1 3 2 0 2 4 1 1 2 4 3 3 0 4 4 1 5 2 4 6 2 6 1 1 5 2 2 6 5 5 3 3 0 4 6 6 1
370
0 1 1 1 0 2 0 0 1 0 2 2 1 1 2 1 1 1 2 2 0 2 2 1 2 1 0 3 1 1 3 0 1 3 1 1 2 1 3 2 3 0 2 2
0 0 1 1 2 0 0 2 1 2 1 0 0 2 1 2 1 2 1 2 2 0 2 1 2 2 0 0 0 3 1 2 3 1 1 2 1 3 1 3 0 2 0 3
20
d
M
I El
9.676 6.860 6.491 5.613 4.881 4.864 4.838 4.733 4.709 4.358 4.353 4.346 4.332 4.256 4.247 3.977 3.960 3.614 3.609 3.445 3.436 3.430 3.392 3.375 3.246 3.240 3.225 3.074 3.061 3.047 3.039 3.033 2.940 2.932 2.921 2.895 2.892 2.784 2.777 2.704 2.693 2.691 2.688 2.679
2 4 8 8 2 2 2 4 8 4 4 4 4 8 8 8 8 8 8 4 4 4 8 8 8 8 2 4 4 8 8 4 8 8 8 8 8 8 8 4 4 4 4 8
45.5 100.0 79.8 7.1 30.8 0.1 42.4 0.2 0.7 0.7 0.2 0.8 3.3 21.0 54.6 1.9 2.0 3.5 6.4 5.4 1.3 0.2 34.8 5.9 0.4 0.2 0.3 10.2 59.8 24.1 1.1 0.6 0.8 11.8 5.7 2.3 12.7 1.6 10.2 0.1 0.6 0.2 1.0 35.8
16:323-802,
b = 9.7272 A p = 90”
J. J. Pluth and J. V. Smith, Acta Cryst. C42, 1118-1120
9.14 12.90 13.64 15.79 18.17 18.24 18.34 18.75 18.84 20.38 20.40 20.44 20.50 20.87 20.92 22.35 22.45 24.63 24.67 25.86 25.93 25.98 26.27 26.41 27.48 27.53 27.66 29.04 29.17 29.31 29.39 29.45 30.40 30.48 30.60 30.88 30.91 32.15 32.23 33.12 33.26 33.29 33.33 33.45
Zeolites
AlPOd-C
1996
h k 2 4 2 4 6 5 7 3 3 0 0 1 8 5 5 7 2 4 0 2 4 6 1 8 1 7 2 2 6 3 8 1 2 6 6 3 5 3 5 0 4 0 4 1
2 1 3 3 1 2 1 2 3 0 4 0 0 1 3 0 0 2 4 4 3 2 1 1 4 2 1 4 3 0 1 3 3 1 3 1 2 4 3 2 0 4 4 2
c = 9.7621 A y = 90”
(1986).
1
20
d
M
IreI
3 3 2 1 2 2 1 3 2 4 0 4 0 3 1 2 4 3 1 0 2 2 4 0 1 1 4 1 0 4 1 3 3 3 1 4 3 1 2 4 4 2 0 4
34.43 34.47 34.48 34.54 34.58 34.86 34.97 36.01 36.05 36.83 36.96 37.13 37.17 37.26 37.33 37.38 38.02 38.12 38.14 38.16 38.16 38.22 38.31 38.34 38.43 38.58 39.18 39.30 39.40 39.48 39.48 39.51 40.36 40.45 40.52 40.60 40.70 40.71 40.74 41.39 41.44 41.49 41.56 41.67
2.605 2.602 2.601 2.597 2.594 2.573 2.566 2.494 2.491 2.441 2.432 2.421 2.419 2.413 2.409 2.406 2.366 2.361 2.360 2.359 2.358 2.355 2.350 2.348 2.342 2.334 2.299 2.293 2.287 2.283 2.283 2.281 2.235 2.230 2.226 2.222 2.217 2.216 2.215 2.181 2.179 2.177 2.173 2.168
8 8 8 8 8 8 8 8 8 2 2 4 2 8 8 4 4 8 4 4 8 8 8 4 8 8 8 8 4 4 8 8 8 8 8 8 8 8 8 4 4 4 4 8
0.4 1.8 1.1 0.1 0.5 1.9 4.9 0.8 0.8 1.9 0.9 3.4 0.5 3.4 0.6 2.5 0.1 0.1 2.5 2.7 0.7 0.4 1.8 0.4 0.7 0.2 0.1 1.9 3.5 0.8 0.2 0.4 0.2 0.2 0.9 1.7 0.7 2.0 0.5 1.4 1.6 0.8 0.4 1.3
hkl 8 8 3 1 7 2 4 2 8 4 3 7 7 9 5 4 4 8 5 0 6 1 1 7 7 9 9 2 2 6 1 6 8 8 5 1 10 5 2 6 3 3 3
20 0 2 2 0 3 3 4 2 2 2 2 4 1 4 4 2 2 1 3 3 2 4 1 3 3 1 1 1 1 4 2 4 4 2 2 2 3 3 3 3 4 0 3 4 4 3 2 3 3 2 1 2 2 1 3 4 4 3 1 4 1 5 4 1 1 3 3 1 2 4 5 1 1 0 4 2 5 1 3 3 4 3 1 5 5 1
41.67 41.70 41.74 41.76 41.90 42.48 42.51 42.57 42.76 43.62 43.81 43.97 44.03 44.12 44.88 45.62 45.71 45.83 45.94 46.63 46.78 46.83 46.88 47.00 47.04 47.12 47.14 47.57 47.62 47.65 47.74 47.76 47.77 47.83 47.87 47.91 47.93 47.95 48.64 48.67 48.84 49.68 49.84
d 2.168 2.166 2.164 2.163 2.156 2.128 2.126 2.124 2.114 2.075 2.066 2.059 2.057 2.053 2.019 1.988 1.985 1.980 1.975 1.948 1.942 1.940 1.938 1.933 1.932 1.929 1.928 1.912 1.910 1.908 1.905 1.904 1.904 1.902 1.900 1.899 1.898 1.897 1.872 1.871 1.865 1.835 1.830
4 4 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 8 8 8 8 8 8
1.8 4.6 1.5 0.9 3.8 1.3 1.6 0.6 1.0 0.8 1.2 1.5 1.0 0.4 0.3 0.5 1.0 0.1 0.7 1.9 0.4 0.7 1.2 0.3 3.1 0.7 1.0 0.8 0.3 0.5 3.4 0.8 0.2 0.4 0.7 0.2 4.8 0.1 0.3 1.0 3.2 0.1 0.3
Hydrated
AlPOd -C
Zeolites
16:323-802,
1996
371
APC
Dehydrated
COMPOSITION:
A116P16064
CRYSTAL
Pbca (No. 61) a = 19.816 A cy = 90”
DATA:
REFERENCE:
h
k
2 1 2 0 4 3 0 1 1 2 1 4 2 3 5 0 4 1 4 2 2 4 6 1 2 5 6 5 5 1 4
1 1 1 2 0 1 0 0 2 2 1 1 1 1 1 2 0 2 2 3 2 1 1 3 3 0 1 2 1 1 2
372
1 0 1 1 0 0 1 2 2 1 1 2 1 2 2 1 2 2 2 1 0 2 2 0 1 1 2 1 1 2 3 2
AlPOd-C
b = 10.047 A p = 90”
c = 8.935 8, y = 90”
E. B. Keller, W. M. Meier and R. M Solid State Ionics 43, 93-102 (1990).
20
d
M
I rel
h
k
1
20
d
M
Ire1
12.55 14.00 16.01 17.65 17.90 18.90 19.87 20.38 20.77 22.19 22.23 22.35 23.57 25.65 26.15 26.70 26.87 27.09 27.18 28.13 28.21 28.33 28.45 28.82 29.88 30.14 30.19 30.42 31.46 31.66 32.34
7.055 6.327 5.537 5.024 4.954 4.696 4.468 4.358 4.276 4.005 3.998 3.978 3.774 3.473 3.408 3.338 3.318 3.292 3.281 3.173 3.164 3.150 3.138 3.097 2.990 2.965 2.960 2.938 2.843 2.826 2.768
4 8 8 2 2 8 2 4 8 8 8 8 8 8 8 4 4 8 8 4 8 8 4 8 8 4 8 8 8 8 8
100.0 37.6 8.8 3.0 40.4 0.8 39.2 4.0 27.4 4.2 8.0 1.9 5.9 0.1 4.9 4.2 2.9 6.3 0.2 8.1 1.6 0.3 26.1 3.3 5.2 0.4 2.8 5.5 2.3 5.1 0.2
2 1 6 3 7 2 6 0 5 1 0 3 5 0 7 3 7 4 6 7 5 6 3 4 0 8 5 1 0 2 1
1 3 2 1 1 3 1 2 2 2 4 3 3 4 0 2 2 3 3 1 1 3 4 4 0 2 3 0 4 0 4
3 2 1 3 1 2 2 3 2 3 0 2 1 1 2 3 1 2 0 2 3 1 1 0 4 0 2 4 2 4 2
32.63 33.75 34.00 34.21 34.41 34.68 34.94 35.02 35.15 35.33 35.75 36.17 36.54 37.18 37.61 37.66 37.84 38.18 38.27 38.71 38.87 39.63 39.69 40.26 40.38 40.61 40.64 40.64 41.23 41.44 41.49
2.744 2.655 2.637 2.621 2.606 2.587 2.568 2.562 2.553 2.541 2.512 2.483 2.459 2.418 2.391 2.389 2.377 2.357 2.351 2.326 2.317 2.274 2.271 2.240 2.234 2.222 2.220 2.220 2.189 2.179 2.176
8 8 8 8 8 8 8 4 8 8 2 8 8 4 4 8 8 8 4 8 8 8 8 4 2 4 8 4 4 4 8
2.0 0.8 0.1 0.8 2.3 1.9 1.4 0.5 2.3 3.8 3.6 0.1 0.9 0.8 0.1 0.4 2.1 0.2 2.9 0.6 0.5 0.2 0.2 0.5 0.3 0.3 0.5 0.2 0.1 0.1 0.7
Zeolites
16:323-802.
1996
Kirchner,
h
k
4 1 8 6 7 8 3 7 0 4 1 7 4 2 4 8 2 1 7 10 9 1 5 10 7 4 3 1 6 1
4 1 0 1 2 2 3 3 2 0 2 1 4 2 1 2 5 5 3 1 1 4 1 1 2 2 5 3 3 5
1 1 4 2 3 2 1 3 1 4 4 4 3 2 4 4 2 0 1 2 0 2 3 3 1 3 4 1 4 3 2
28
d
41.56 41.67 41.69 41.82 41.84 41.90 42.88 43.04 44.38 44.49 44.63 45.10 45.28 45.37 45.45 45.60 46.09 46.55 46.67 46.72 46.88 47.58 47.60 47.88 47.89 48.22 48.43 49.25 49.38 49.98
2.173 2.167 2.166 2.160 2.159 2.156 2.109 2.101 2.041 2.036 2.030 2.010 2.003 1.999 1.996 1.989 1.969 1.951 1.946 1.944 1.938 1.911 1.910 1.900 1.899 1.887 1.879 1.850 1.846 1.825
8 8 4 8 8 8 8 8 4 4 8 8 8 8 8 8 4 8 8 4 8 8 8 8 8 8 8 8 8 8
0.8 1.5 0.2 1.2 0.8 0.6 0.7 0.9 1.7 0.3 2.2 0.6 0.6 0.2 0.1 0.1 0.2 0.2 0.3 3.2 0.2 0.1 0.7 0.1 1.0 0.6 0.1 0.3 0.4 1.6
Dehydrated
APC
AlPOd -C
Zeolites
16:323-802,
1996
373
APD
AlPOd--D
COMPOSITION:
A116P16064
CRYSTAL
Pcu~~ (No. 29) a = 19.187 A b = 8.576 A o! = 90” p = 90”
DATA:
E. B. Keller, W. M. Meier and R. M Kirchner, Solid State Ionics 43, 93-102 (1990).
REFERENCE:
h k 1 2 0 0 1 1 0 2 1 2 3 0 4 3 2 4 0 0 4 1 1 2 4 1 2 3 3 5 4 3 5 0 6 4 4 1 2 2 6 4 1 2 3 6 5
374
0 1 1 1 0 0 1 0 0 2 1 1 2 1 1 1 2 2 2 1 1 0 2 1 2 0 2 1 2 0 2 0 2 1 1 2 1 1
1 1 1 0 2 0 1 2 1 0 2 0 0 2 2 1 1 1 0 2 0 2 1 1 2 0 0 2 2 3 2 1 1 3 3 2 1 2
20
d
M
I rel
9.22 11.30 12.91 14.48 16.55 17.30 18.10 18.50 19.54 20.34 20.61 20.71 20.87 21.22 21.23 21.39 22.86 23.10 23.11 24.48 25.00 25.13 25.43 25.99 26.63 27.03 27.64 27.90 27.91 28.03 28.03 28.86 29.19 29.38 29.39 29.62 30.72 31.04 31.21 31.39
9.593 7.829 6.857 6.118 5.356 5.127 4.902 4.797 4.543 4.365 4.309 4.288 4.256 4.186 4.185 4.155 3.890 3.850 3.849 3.636 3.562 3.543 3.503 3.428 3.348 3.298 3.227 3.198 3.197 3.183 3.183 3.093 3.059 3.040 3.039 3.016 2.910 2.881 2.866 2.850
2 4 4 8 8 4 2 2 8 4 4 2 4 4
0.4 0.4 100.0 3.7 1.0 4.9 7.4 18.8 17.0 13.9 20.9 89.1 2.6 2.8 0.3 15.0 3.8 3.7 1.4 12.1 0.2 10.4 2.1 11.3 0.5 7.3 2.0 0.2 3.7 0.4 0.6 13.7 4.2 13.7 3.4 1.8 0.8 0.2 0.3 1.7
Zeolites
16:323-802,
c = 9.804 A y = 90”
8 8 8 8 8 4 8 4 4 8 8 4 2 4 8 8 4 8 4 8 8 8 8 8 8
1996
hkl 3 1 4 6 4 7 3 4 1 6 3 2 6 5 0 4 0 1 3 8 2 4 2 0 1 8 3 5 6 4 6 5 6 4 4 8 5 0 1 1
28 1 3 0 0 2 1 3 1 2 1 3 2 2 2 3 3 0 3 2 0 3 3 0 1 1 1 3 3 0 2 2 3 1 3 0 0 2 4 3 4
3 1 3 2 2 0 0 3 3 2 1 3 1 2 2 0 4 2 3 0 2 1 4 4 4 0 2 0 3 3 2 1 3 2 4 2 3 0 3 0
32.49 32.97 33.17 33.46 33.46 34.35 34.36 34.83 34.83 35.10 35.60 35.79 36.22 36.37 36.38 36.59 36.66 36.69 37.34 37.50 37.61 37.76 37.89 38.19 38.49 38.99 39.10 39.30 39.42 39.43 39.68 40.41 40.86 41.11 41.37 41.93 41.98 42.15 42.27 42.42
d 2.756 2.717 2.701 2.678 2.678 2.611 2.610 2.576 2.576 2.557 2.522 2.509 2.480 2.470 2.469 2.456 2.451 2.449 2.408 2.398 2.391 2.382 2.375 2.357 2.339 2.310 2.304 2.293 2.286 2.285 2.272 2.232 2.209 2.196 2.183 2.154 2.152 2.144 2.138 2.131
M
Ire1
h
k
1
28
d
M
8 8 4 4 8 4 4 8 8 8 8 8 8 8 4 4 2 8 8 2 8 8 4 4 8 4 8 4 4 8 8 8 8 8 4 4 8 2 8 4
1.7 0.2 4.0 5.0 3.4 0.1 1.0 0.3 0.3 0.1 4.7 3.4 3.0 0.2 0.3 0.3 3.3 3.8 0.2 1.2 0.9 0.8 1.1 0.5 0.2 0.2 1.3 0.5 0.2 0.7 0.1 2.4 0.4 0.2 1.0 2.1 0.1 5.2 0.8 0.4
0 8 8 7 6 1 2 5 9 8 2 7 3 3 9 6 5 3 7 0 4 1 6 4 7 8 8 2 2 4 9 1 6 8 10 2 0 1 3
2 2 1 2 3 4 2 3 1 2 4 1 3 4 1 2 1 4 3 4 4 4 0 2 3 0 2 4 0 4 1 1 1 1 0 1 3 3 1
4 0 2 2 1 1 4 2 0 1 1 3 3 0 1 3 4 1 0 2 0 2 4 4 1 3 2 2 5 1 2 5 4 3 1 5 4 4 5
42.48 43.22 43.30 43.31 43.45 43.46 43.57 43.58 43.75 44.24 44.26 44.41 44.42 44.57 44.77 44.94 45.15 45.57 45.86 46.21 46.39 46.47 46.69 46.70 46.84 46.99 47.21 47.23 47.32 47.36 47.71 47.82 47.95 48.25 48.33 48.56 48.95 49.20 49.79
2.128 2.093 2.089 2.089 2.083 2.082 2.077 2.077 2.069 2.047 2.046 2.040 2.039 2.033 2.024 2.017 2.008 1.991 1.978 1.964 1.957 1.954 1.945 1.945 1.939 1.934 1.925 1.924 1.921 1.919 1.906 1.902 1.897 1.886 1.883 1.875 1.861 1.852 1.831
4 4 8 8 8 8 8 8 4 8 8 8 8 4 8 8 8 8 4 4 4 8 4 8 8 4 8 8 4 8 8 8 8 8 4 8 4 8 8
Ire1 1.2 0.3 0.1 0.1 0.1 0.8 0.4 1.2 1.6 1.2 0.8 1.0 0.4 0.1 0.6 1.3 0.9 0.2 0.1 0.5 0.3 0.3 0.5 0.2 0.6 0.8 0.6 0.6 0.5 0.3 0.5 1.1 0.1 0.2 1.1 0.1 0.1 0.3 0.1
APD
AlPOd -D
Zeolites
16:323-802,
1996
375
AST
Quinuclidinium
fluoride
COMPOSITION:
(SizoO4,).2(Q+F-);
CRYSTAL
14/m (No. 87) a = 9.194 A cz = 90”
DATA:
REFERENCE:
octadecasil
Q = quinuclidine.
b = 9.194 &i p = 90”
c = 13.396 A y = 90”
P. Caullet, J. L. Guth, J. Hazm, J. M. Lamblin and H. Gies, Eur. J. Solid State Inorg. Chem. 28, 345-361 (1991).
h
k
1
20
d
M
IreI
h
k
1
26’
d
M
IreI
h
k
1
28
d
M
Ire1
1 0 1 1 2 1 1 2 2 0 2 1 2 3
0 0 1 1 0 0 2 1 0 0 2 2 1 0
1 2 0 2 0 3 1 1 2 4 0 3 3 1
11.67 13.22 13.62 19.02 19.31 22.13 22.62 22.62 23.47 26.62 27.44 29.53 29.53 29.91
7.580 6.698 6.501 4.665 4.597 4.017 3.931 3.931 3.790 3.349 3.251 3.025 3.025 2.987
8 2 4 8 4 8 8 8 8 2 4 8 8 8
100.0 2.9 5.1 12.0 2.7 14.9 35.4 3.6 4.3 7.5 8.2 5.0 0.3 0.4
1 2 1 2 1 3 1 3 2 3 2 4 2 0
1 2 3 0 3 1 0 0 3 2 2 0 1 0
4 2 0 4 2 2 5 3 1 1 4 0 5 6
30.01 30.57 30.75 33.09 33.60 33.60 34.88 35.53 35.85 35.85 38.60 39.19 40.17 40.40
2.977 2.924 2.907 2.707 2.667 2.667 2.572 2.527 2.505 2.505 2.332 2.298 2.245 2.233
8 8 4 8 8 8 8 8 8 8 8 4 8 2
6.3 5.5 8.5 1.8 0.1 2.6 1.8 0.5 0.4 1.2 6.6 0.5 0.7 0.3
2 3 1 4 1 4 3 2 3 2 1 2 1 2
3 2 4 1 3 0 3 4 0 0 4 4 0 3
3 3 1 1 4 2 2 0 5 6 3 2 7 5
40.75 40.75 41.03 41.03 41.11 41.54 43.91 44.05 44.94 45.14 45.46 46.19 48.59 49.34
2.214 2.214 2.200 2.200 2.195 2.174 2.062 2.056 2.017 2.008 1.995 1.965 1.874 1.847
8 8 8 8 8 8 8 4 8 8 8 8 8 8
0.7 1.8 0.3 2.4 0.7 0.4 0.1 1.7 0.6 0.2 0.8 0.4 1.2 4.6
376
Zeolites
16:323-902,
1996
Quinuclidinium
fluoride
octadecasil
I”“I”“I”“I”“I”“T”“I”“I”“I”“I””
Zeolites
16:323-602,
1996
377
AST
Quinuclidine
COMPOSITION:
(AlaoPaoOso).4Q.l6HzO;
CRYSTAL
F23 (No. 196) a = 13.3832 A a! = 90”
DATA:
REFERENCE:
hkl 1 2 2 3 2 4 3 4
378
1 0 2 1 2 0 3 0
1 0 0 1 2 0 1 2
28
d
11.45 13.23 18.75 22.03 23.02 26.64 29.08 29.86
7.727 6.692 4.732 4.035 3.863 3.346 3.070 2.993
Zeolites
16:323-802,
AIPO4-16
Q = quinuclidine.
h = 13.3832 A p = 90”
c = 13.3832 A “i = 90”
J. M. Bennett and R. M. Kirchner, Zeolites 11, 502-506 (1991).
iv 8 6 12 24 8 6 24 12
1996
Ire1 61.9 0.3 52.0 100.0 9.2 24.4 8.4 18.6
hkl 4 4 3 5 4 5 4 6
2 2 3 1 4 3 4 0
0 2 3 1 0 1 2 0
26’
d
29.86 32.78 34.83 34.83 38.03 39.85 40.44 40.44
2.993 2.732 2.576 2.576 2.366 2.262 2.231 2.231
Al
Ire1
h
k
1
20
d
ibi‘
Ire1
12 24 8 24 12 24 24 6
9.2 5.0 0.3 5.1 10.3 2.1 0.3 0.5
6 6 5 6 4 5 7 6
0 2 3 2 4 5 1 0
2 0 3 2 4 1 1 4
42.73 42.73 44.39 44.93 47.04 48.58 48.58 49.09
2.116 2.116 2.041 2.018 1.932 1.874 1.874 1.856
12 12 24 24 8 24 24 12
0.2 0.2 4.6 0.6 0.2 3.7 4.8 1.1
Quinuclidine
AST
AlPOd -16
Zeolites
16:323-802,
1996
379
ATN
MAPO-39
COMPOSITION:
&P8032
CRYSTAL
12 (No. 82) a = 13.09 A Q = 90”
DATA:
REFERENCE:
h 110 2 1 2 1 3 1 2 3 4 3 2 3 2 4
380
k 0 0 2 3 1 2 1 0 0 3 3 2 4 2
28
d
M
IreI
hkl
0 1 0 0 0 1 1 1 0 0 1 1 0 0
9.56 13.53 18.42 19.18 21.47 21.47 22.92 22.92 26.71 27.25 28.94 30.06 30.06 30.54 30.54
9.256 6.545 4.817 4.628 4.139 4.139 3.879 3.879 3.337 3.273 3.085 2.973 2.973 2.927 2.927
4 4 8 4 4 4 8 8 8 4 4 8 8 4 4
47.2 100.0 39.6 2.6 6.1 32.2 39.0 20.1 0.4 5.6 7.9 5.0 7.9 12.0 4.5
1 4 0 1 5 2 3 4 5 2 3 5 5 1 6
16:323-802,
c = 5.18 A y = 90”
L. B. McCusker, G. 0. Brunner and A. F. Ojo, Acta Cryst. A46, C-59 (1990) (15th. Congress of IUCr, Bordeaux).
1
Zeolites
b = 13.09 A p = 90”
1996
4 1 1 1 0 2 5 0 1 0 0 2 3 1 3 1 0 1 2 2 5 0 3 0 2 1 3 2 0 0
20
d
33.09 33.09 34.63 34.95 34.95 37.34 38.53 38.53 38.53 39.89 40.17 40.17 41.01 41.11 41.39
2.707 2.707 2.590 2.567 2.567 2.408 2.337 2.337 2.337 2.260 2.245 2.245 2.201 2.196 2.182
M 8 8 2 4 4 8 8 8 8 8 4 4 8 8 4
Irei 4.4 7.5 7.2 0.4 0.8 4.1 0.9 3.0 5.5 1.4 0.6 0.4 0.2 0.2 1.9
hkl 2 6 4 1 6 3 2 4 4 5 1 5 3 6
26 6 2 0 6 1 3 4 2 5 4 7 5 6 3
0 43.74 0 43.74 2 44.62 1 45.65 1 45.65 2 45.74 2 46.84 2 46.84 1 47.83 1 47.83 0 49.22 0 49.22 1 49.94 1 49.94
d 2.070 2.070 2.031 1.987 1.987 1.984 1.940 1.940 1.902 1.902 1.851 1.851 1.826 1.826
M 4 4 8 8 8 8 8 8 8 8 4 4 8 8
IreI 1.7 0.6 1.8 0.5 0.5 1.1 0.8 1.9 0.5 1.0 0.3 3.4 1.2 0.5
ATN
MAPO-39
J --I -==+
Zeolites
16:323-802.
1996
381
AT0
Di-n-propylamine
COMPOSITION:
(A11sP17Si072).2(C3H7)2NH
CRYSTAL
R3 (No. 148) hexagonal setting a = 20.839 A b = 20.839 A a! = 90” p = 90”
DATA:
REFERENCE:
h
k
1 0 2
1 3 2 1 0 0 2 2 1 3 -1 1 4 4 1 1 3 4 -3 3 3 3 2 5 -2 0 6 5 2 2 4 6 -4 5 1 6 -1 4 4 4 3
382
1
28
8.49 0 0 14.73 0 17.02 1 18.27 1 20.18 1 21.92 1 21.92 0 22.58 0 22.58 1 25.07 1 25.07 0 25.65 1 27.88 1 27.88 0 29.70 0 30.94 1 31.67 1 31.67 1 32.85 1 32.85 0 34.43 1 35.09
Zeolites
SAPO-31
W. H. Baur, W. Joswig, D. Kassner Acta Cryst. B50, 290-294 (1994).
d
M
I Id
hkl
10.419 6.016 5.210 4.855 4.401 4.054 4.054 3.938 3.938 3.552 3.552 3.473 3.200 3.200 3.008 2.890 2.825 2.825 2.726 2.726 2.605 2.557
6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6
100.0 2.8 7.2 5.0 91.6 8.8 46.8 53.5 99.9 0.4 7.7 5.2 21.1 1.9 9.7 1.0 32.5 5.7 0.1 0.3 0.4 5.4
7 0 2 7 1 7 1 3 3 7 8 3 6 3 4 6 2 5 5 9 5 5
16:323-802,
c = 5.041 A y = 120”
1996
20 -3 1 0 -6 7 1 2 -2 5 0 -5 6 3 1 -1 2 3 -3 4 -4 5 0
1 35.09 2 35.98 2 37.03 1 37.22 0 37.63 0 37.63 2 38.06 2 38.06 1 39.25 1 39.25 1 39.25 0 39.64 0 39.64 2 40.05 2 40.05 1 40.23 2 41.96 2 41.96 1 43.06 1 43.06 0 43.42 2 43.81
and J. Kornatowski,
d
iVl
I rel
2.557 2.496 2.428 2.416 2.390 2.390 2.364 2.364 2.295 2.295 2.295 2.274 2.274 2.251 2.251 2.242 2.153 2.153 2.100 2.100 2.084 2.067
6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6
11.6 5.8 4.5 0.8 2.0 0.7 2.4 2.9 0.3 3.3 2.6 2.0 1.0 3.8 0.6 1.4 0.4 0.2 0.4 0.8 0.6 1.9
h
k
1
0 8 1 4 2 2 6 -2 2 2 7 1 9 -7 1 0 9 0 1 5 2 2 8 0 8 2 0 8 1 1 9 -1 1 3 4 2 4 6 1 10 -6 1 7 3 1 10 -3 1 4 7 0 7 4 0 6 1 2 7 -1 2
28
d
M
IreI
43.97 44.71 44.71 44.87 44.87 45.22 45.59 46.10 46.10 46.62 46.62 47.32 47.48 47.48 48.32 48.32 48.65 48.65 49.01 49.01
2.059 2.027 2.027 2.020 2.020 2.005 1.990 1.969 1.969 1.948 1.948 1.921 1.915 1.915 1.883 1.883 1.871 1.871 1.859 1.859
6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6
0.9 1.1 0.5 1.0 0.3 3.0 0.4 0.8 1.0 6.5 0.2 2.3 1.8 0.1 0.2 1.4 2.6 1.5 0.2 2.5
Di-n-propylamine
SAPO-31
Zeolites
16:323-602,
1996
383
ATS
MAPO-36 COMPOSITION:
[(Aho.&k)Pn2048].
CRYSTAL
Cl 2/c 1 (No. 15) unique axis b, cell choice 1 a = 13.1483 A b = 21.5771 A c = 5.1639 A cy = 90” ,d = 91.84” y = 90”
DATA:
J. V. Smith, J. J. Pluth and K. J. Andries. Zeolites 13, 166-169 (1993).
REFERENCE:
hkl 1 1 0 0 2 1 2 0 -1 0 1 3 2 1 -1 1 -2 2 3 0 4 -2 3 -1 2 1 2 4 3
2 0 3 2 4 1 2 1 1 4 5 3 3 2 2 3 6 0 4 1 5 4 5 6 2 5
384
0 0 0 0 0 1 1 1 0 0 0 1 1 1 1 0 0 0 1 1 1 1 1 0 0 0
28
d
M
I rel
7.88 8.20 13.48 14.04 15.79 16.43 18.72 19.06 19.12 20.69 21.31 21.67 22.08 22.42 23.09 23.74 23.78 24.76 27.14 27.22 27.44 27.65 27.78 27.93 28.29 28.40 29.05
11.224 10.789 6.571 6.309 5.612 5.394 4.739 4.6.56 4.641 4.293 4.169 4.100 4.025 3.965 3.852 3.748 3.741 3.596 3.285 3.276 3.251 3.226 3.211 3.195 3.155 3.143 3.074
4 2 2 4 4 2 4 4 4 4 4 4 4 4 4 4 4 2 2 4 4 4 4 4 4 4 4
100.0 25.3 4.9 0.3 1.3 12.2 0.6 19.8 1.0 10.7 2.2 3.7 8.8 9.8 2.2 1.7 1.1 0.2 6.2 2.2 0.7 0.2 0.7 0.6 1.8 0.3 2.3
Zeolites
16:323-802.
1.2NCgJh
1996
h, k -3 1 3 0 4 -2 0 -3 -1 1 0 -1 0 1 2 -4 5 0 2 1 -5 2 5 -3 5 2 -2
3 7 3 6 4 6 8 5 7 7 0 1 2 1 8 4 3 8 0 3 1 2 1 7 5 8 4
1
28
d
M
1 0 1 1 0 1 0 1 1 1 2 2 2 2 0 1 0 1 2 2 1 2 1 1 0 1 2
29.09 29.77 29.88 30.29 31.89 33.05 33.22 33.59 34.46 34.69 34.76 35.48 35.78 35.92 35.99 36.01 36.39 37.63 37.86 37.87 38.15 38.81 39.18 39.49 40.17 40.34 40.74
3.069 3.001 2.990 2.951 2.806 2.710 2.697 2.668 2.603 2.586 2.581 2.530 2.510 2.500 2.495 2.494 2.469 2.390 2.376 2.376 2.359 2.321 2.299 2.282 2.245 2.236 2.215
4 4 4 4 4 4 2 4 4 4 2 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4
-Ire1
h
k
1
28
2.4 0.2 0.6 2.8 3.4 0.2 0.3 0.6 1.1 3.6 3.6 0.6 0.5 0.2 0.4 1.0 0.2 0.4 0.3 0.3 0.5 0.3 0.3 0.2 1.0 0.2 0.4
-1 6 3 4 2 1 1 3 0 -5 2 -6 5 -3 2 -1 6 -4 4 -2 -6 -5 6 7 6 0 5
5 0 1 6 4 5 9 3 6 5 10 2 7 5 6 7 2 8 8 10 4 7 6 1 4 8 7
2 0 2 1 2 2 1 2 2 1 0 1 0 2 2 2 1 1 1 1 1 1 0 0 1 2 1
41.14 41.22 41.39 41.51 41.53 41.53 42.22 43.13 43.15 43.52 44.18 45.24 45.34 45.37 45.77 46.23 46.32 46.66 47.36 47.56 47.66 48.41 48.67 48.68 48.70 48.84 49.26
d 2.194 2.190 2.182 2.175 2.175 2.174 2.141 2.098 2.097 2.079 2.050 2.004 2.000 1.999 1.982 1.964 1.960 1.947 1.919 1.912 1.908 1.880 1.871 1.870 1.870 1.865 1.850
M
IreI
4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4
0.1 1.0 0.1 0.2 0.6 0.3 0.1 0.2 0.4 0.4 0.7 0.3 0.4 0.6 0.2 0.1 0.4 0.3 0.3 0.8 0.1 0.1 0.3 0.3 0.2 0.1 0.5
ATS
MAPO-36
J
Zeolites
16:323-602,
1996
365
ATT
Tetramethylammonium
(A112P12048).4(CH&NOH
CRYSTAL
P21212 (No. 18) a = 10.3325 A b = 14.6405 A /j zr 90” Q = 90”
110 0 0 1 1 1 0 2 121 0 2 0 13 0 211 10 2 112 1 0 2 1 0 2 2 0 0 2 2 141 3 13 0 2 0 10 2 1 0 0 2 2
386
20
1
1 2 0 1 2 21 0
1 0 1 1 0
0 01 1
2
0
2 0
31
2 3 2 2 2 4 3 0 4 3 1 31
2 0 1 2 1 2 0 0 2 1 2 2
01 0 2 1 4 1 2 4 41 3
2 3 2 3 3 0 3 3 2 2
Zeolites
AlPOd-12-TAMU
COMPOSITION: DATA:
REFERENCE:
hkl 0 0
hydroxide
9.30 10.48 11.09 12.09 12.65 14.03 14.83 15.27 17.16 17.53 18.66 19.55 19.63 20.12 20.45 20.48 20.56 21.05 21.45 22.21 22.29 23.05 23.92 24.32 25.10 25.46 26.09 26.16 26.19 26.82 27.50 27.54 27.58 28.15 28.27 28.81 29.47 29.92 30.11 30.73 30.83 31.39 31.46
d 9.511 8.442 7.976 7.320 6.998 6.314 5.973 5.801 5.166 5.058 4.756 4.540 4.523 4.413 4.342 4.336 4.320 4.221 4.143 4.003 3.988 3.858 3.720 3.660 3.548 3.499 3.416 3.406 3.403 3.324 3.243 3.238 3.235 3.170 3.157 3.099 3.031 2.987 2.968 2.909 2.901 2.849 2.844
16:323-802.
c = 9.5112 A y = 90”
P. R. Rudolf, C. Saldarriaga-Molina and A. Clearfield, J. Phys. Chem. 90, 6122-6125 (1986).
n!!
I El
2 4 4 2
24.3 0.3 0.5 0.9 100.0 0.9 0.4 26.6 7.8 21.7 0.5 2.7 0.5 1.3 2.8 0.7 19.7 5.8 1.3 4.3 0.3 6.9 30.9 1.0 1.3 0.2 44.4 0.1 0.5 1.4 5.3 51.5 0.5 0.4 0.5 0.1 9.7 1.6 0.2 7.6 0.2 1.0 1.0
4 4 4 8 4 4 8 8 4 8 8 2 4 4 4 4 8 8 8 4 8 2 8 4 4
1996
h
k
1
1 12 1 3 3 151 3 0 3 4 2 2 4 2 4 0 3 1 3 0 2 4 0 1 3 1 1 3 1 4 2 4 3 3 4 3 1 2 3 0 4 2 0
5
0 3 2 2
4 0 12 3 3 2 0 2 4 01 51 1 6 4 5 3 0 3 2 1 4 0 0 6 1 1 0 5 1 5 2 3 4 2 4 5 6 2 0 5
1 3 2 0 3 2
1 0 1 2 2 4 3 1 4 3 3 4 1 3 4 2 2 2 0 3 1 2 4 3 1 2 2 4 3
20
d
31.76 31.96 32.05 32.09 32.68 33.17 33.20 33.71 34.40 34.73 35.41 35.49 36.03 36.52 36.56 36.83 37.07 37.09 37.12 37.84 38.06 38.14 38.35 38.57 38.60 38.86 39.09 39.10 39.37 39.71 40.16 40.20 40.43 40.59 40.64 40.67 40.85 41.54 41.58 41.60 41.66 41.82 42.00
2.817 2.800 2.793 2.789 2.740 2.701 2.698 2.659 2.607 2.583 2.535 2.529 2.493 2.461 2.457 2.440 2.425 2.424 2.422 2.378 2.364 2.360 2.347 2.334 2.333 2.317 2.304 2.304 2.289 2.270 2.245 2.243 2.231 2.223 2.220 2.219 2.209 2.174 2.172 2.171 2.168 2.160 2.151
M
I rel
h
k
1
20
d
2 0 2 1 4 1 3 1 2 4 1 5 0 5 1 4 2 5 1 3 3 5 3 4 4 0 5 0 1 2 3 5 1 2 1 0 0 3 5 0 3
6 3 1 6 4 5 3 3 2 3 7 1 7 0 7 0 6 1 4 0 6 2 14 2 4 7 3 0 6 7 2 1 0 4 1 5 2 6 2 8 5
1 4 4 2 0 3 3 4 4 2 0 0 1 1 1 3 2 1 4 4 1 1
4 8 4 4 8 8 8 4 8 8 4 8 8 8 8 8 8 4 8 4 4
0.5 0.5 11.1 1.4 0.1 0.3 1.2 0.5 9.2 0.9 0.8 1.0 0.3 1.2 0.2 1.1 0.9 1.3 0.1 1.8 0.2 0.6 0.4 0.3 0.1 0.5 0.9 0.8 0.3 1.7 0.7 0.6 0.4 0.7 0.3 3.1 0.2 0.5 0.1 0.2 2.4 0.3 1.3
42.04 42.28 42.29 42.55 42.85 42.95 42.98 43.22 43.69 43.99 44.18 44.26 44.34 44.88 45.25 45.28 45.31 45.33 46.38 46.40 46.60 46.66 46.84 47.04 47.11 47.49 47.80 47.81 47.86 47.89 48.13 48.43 48.67 48.96 49.09 49.37 49.51 49.64 49.69 49.83 49.99
2.149 2.138 2.137 2.125 2.110 2.106 2.105 2.093 2.072 2.058 2.050 2.046 2.043 2.019 2.004 2.003 2.001 2.000 1.958 1.957 1.949 1.947 1.940 1.932 1.929 1.914 1.903 1.902 1.901 1.900 1.890 1.880 1.871 1.860 1.856 1.846 1.841 1.837 1.835 1.830 1.825
3 2 2 0 5 3 1 4 2 5 4 5 4 5 2 2 0 3
Ad Ire1 8 4 8 8 4 8 8 8 8 8 4 4 4 4 8 4 8 8 8 4 8 8 8 8 8 4 4 2 8 8 8 8 4 8 8 4 4 8 8 2 8
0.1 0.3 1.0 0.1 0.1 0.3 0.3 0.2 0.5 0.7 0.2 0.3 0.2 0.5 0.5 0.7 0.3 0.6 0.2 0.2 0.6 0.3 0.2 2.1 0.1 0.8 0.3 0.9 1.9 0.2 0.6 0.4 0.3 0.2 0.1 0.2 0.1 0.2 0.2 2.3 0.2
Tetramethylammonium
hydroxide
ATT
AlPOd -12JAMU
h e
Zeolites
16:323-802,
1996
387
ATV
AIP04-25
COMPOSITION: CRYSTAL
Ah2Pl2048
DATA:
Acmm (No. 67) i?ba setting a = 9.4489 A b = 15.2028 A c? = 90” p = 90”
REFERENCE:
h k 1 1 0 0 0 1 1 2 0 2 2 1 1 0 0 1 1 2 3 2 2 3
388
2 2 1 0 0 2 1 3 0 4 2 4 2 3 0 0 4 2
0 0 1 0 2 0 1 1 2 0 2 0 2 1 0 2 0 0
J. W. Richardson, Jr., J. V. Smith and J. J. Pluth, J. Phys. Chem. 94, 3365.-3367 (1990).
26’
d
M
Ire1
hkl
9.36 11.64 14.96 15.26 18.78 21.13 22.15 22.36 22.54 23.16 23.41 24.19 25.26 25.99 27.91 28.34 28.42 30.18 30.73
9.449 7.601 5.923 5.805 4.724 4.204 4.013 3.975 3.944 3.841 3.801 3.679 3.526 3.428 3.196 3.150 3.141 2.961 2.910
2 2 4 8 2 2 4 8 8 4 2 4 4 8 8 2 4 4 4
48.0 12.6 95.2 0.3 29.7 100.0 0.5 33.4 44.0 6.7 5.3 1.1 47.2 11.4 1.9 3.0 7.0 0.2 21.5
3 0 1 1 1 3 0 2 3 2 3 2 1 4 4 4 2 2 3
Zeolites
16:323-602,
c = 8.4084 A y = 90”
1996
28 1 4 5 4 1 3 6 5 4 4 2 1 3 0 2 1 6 3 5
1 2 1 2 3 1 0 1 0 2 2 3 3 0 0 1 0 3 1
30.88 31.74 32.72 33.16 33.88 35.21 35.43 36.74 37.07 37.13 37.59 37.79 37.90 38.09 39.97 40.09 40.39 41.48 42.71
d 2.895 2.819 2.737 2.702 2.646 2.549 2.534 2.446 2.425 2.421 2.393 2.381 2.374 2.362 2.256 2.249 2.233 2.177 2.117
M
I rel
h
k
1
8 4 8 8 8 8 2 8 4 8 8 8 8 2 4 8 4 8 8
0.3 1.8 1.2 11.3 0.2 1.3 4.9 2.2 4.4 0.5 6.8 6.9 8.3 0.7 0.1 1.4 0.8 0.4 0.2
0 4 3 4 1 1 1 4 1 3 2 3 2 2 0 2 2 0 5
0 3 1 0 7 0 5 2 2 6 6 3 7 0 8 5 2 4 2
4 1 3 2 1 4 3 2 4 0 2 3 1 4 0 3 4 4 0
28 43.03 43.62 43.64 43.97 44.12 44.13 45.02 45.64 45.80 45.97 46.02 46.95 47.32 47.33 47.87 48.17 48.91 49.55 49.71
d
M
2.102 2.075 2.074 2.059 2.053 2.052 2.014 1.988 1.981 1.974 1.972 1.935 1.921 1.921 1.900 1.889 1.862 1.840 1.834
2 8 8 4 8 4 8 8 8 4 8 8 8 4 2 8 8 4 4
Ire, 9.0 0.8 0.3 0.3 0.3 0.7 1.0 0.8 1.4 1.1 3.0 0.7 4.4 0.9 3.6 1.1 0.3 0.7 0.9
ATV
AlPOd -25
Zeolites
16:323-802,
1996
389
AWW
Quinuclidine
COMPOSITION:
(A124P24096).2P030H.4C7H14N
CRYSTAL
P4/ncc (No. 130) origin at i a = 13.628 A b = 13.628 a
DATA:
ff = 90”
h
k
1
28
1 0 2 1 1 2 2 2 2 3 3 2 2 3 0 3 1 3 1 4 3 2 3 2 4 3 4 3 4 4 2
1 0 0 0 1 1 0 2 1 1 1 2 1 0 0 1 0 2 1 0 2 0 1 1 1 3 0 2 2 1 2
0 2 0 2 2 1 2 0 2 0 1 2 3 2 4 2 4 1 4 0 2 4 3 4 1 0 2 3 0 2 4
9.18 11.44 12.99 13.17 14.69 15.63 17.35 18.41 18.54 20.61 21.40 21.73 22.59 22.70 23.01 23.63 23.93 24.24 24.82 26.16 26.24 26.51 26.97 27.32 27.60 27.77 28.63 29.30 29.31 29.39 29.63
Zeolites
d 9.636 7.732 6.814 6.725 6.031 5.670 5.112 4.818 4.786 4.310 4.151 4.089 3.936 3.917 3.866 3.764 3.719 3.672 3.588 3.407 3.396 3.362 3.306 3.265 3.232 3.212 3.118 3.048 3.047 3.039 3.015
16:323-602,
c = 15.463 A y = 90”
I!3 = 90”
J. W. Richardson, Jr., J. J. Pluth and J. V. Smith, Naturwiss. 76, 467-469 (1989). And J. J. Pluth, private communication (1990).
REFERENCE:
390
AIPOd-22
hf
Ire1
h
k
4 2 4 8 8 16 8 4 16 8 16 8 16 8 2 16 8 16 8 4 16 8 16 16 16 4 8 16 8 16 8
92.8 2.8 6.3 21.1 3.6 0.2 31.3 1.6 100.0 63.9 1.9 2.8 3.1 5.0 3.2 16.5 18.0 3.0 10.7 9.5 6.4 9.1 0.2 25.7 0.1 5.9 8.3 1.0 18.8 10.1 0.9
4 3 3 4 4 2 3 5 5 0 4 5 4 1 5 3 4 5 1 5 3 4 2 4 2 6 3 5 4 5 6
2 3 1 2 1 1 2 1 1 0 3 0 0 0 1 1 1 2 1 2 2 2 1 4 2 0 0 3 3 1 2
1996
1 1 2 4 2 3 5 4 0 1 6 2 2 4 6 2 5 4 1 6 2 5 4 6 2 6 0 6 2 4 4 0
28 29.88 30.13 31.08 31.56 32.17 32.46 33.15 33.53 34.04 34.81 34.90 34.90 35.11 35.45 35.54 35.73 35.74 35.96 36.08 37.39 37.58 37.58 37.90 39.17 39.66 39.68 40.23 40.31 40.49 41.06 41.93
d 2.990 2.966 2.878 2.835 2.782 2.758 2.703 2.673 2.634 2.577 2.570 2.570 2.556 2.532 2.526 2.513 2.512 2.497 2.490 2.405 2.393 2.393 2.374 2.300 2.273 2.271 2.242 2.237 2.228 2.198 2.155
M
Ire1
h
k
1
20
d
16 8 16 16 16 16 16 8 16 2 16 8 8 8 16 16 16 16 8 16 16 16 16 8 8 4 8 16 16 16 8
0.2 0.6 2.3 14.1 0.4 0.2 3.3 0.4 1.2 9.7 4.4 8.3 3.2 0.4 6.3 0.3 0.7 0.2 0.6 1.5 0.5 1.6 1.1 1.5 1.7 1.7 0.8 0.6 0.1 3.5 1.9
6 5 6 6 5 4 4 5 3 5 4 6 6 6 0 5 1 7 1 6 7 6 5 5 7 5 2 7 5 2 6
1 2 2 1 4 4 1 1 3 3 2 3 0 1 0 5 0 1 1 4 0 2 0 5 1 4 0 2 1 1 4
2 4 2 3 2 4 6 5 6 4 6 2 4 4 8 0 8 1 8 0 2 4 6 2 2 4 8 1 6 8 2
41.98 42.70 43.60 44.07 44.13 44.30 44.58 44.82 45.10 45.34 46.13 46.20 46.36 46.87 47.01 47.16 47.51 47.54 48.01 48.15 48.20 48.36 48.62 48.69 48.69 48.85 48.98 49.02 49.11 49.47 49.66
2.152 2.117 2.076 2.055 2.052 2.045 2.032 2.022 2.010 2.000 1.968 1.965 1.958 1.938 1.933 1.927 1.914 1.913 1.895 1.890 1.888 1.882 1.873 1.870 1.870 1.864 1.860 1.858 1.855 1.842 1.836
M Ire1 16 16 16 16 16 8 16 16 8 16 16 16 8 16 2 4 8 16 8 8 8 16 8 8 16 16 8 16 16 16 16
0.4 0.4 0.5 0.2 1.1 4.1 1.1 0.4 4.6 0.3 0.3 1.9 0.3 1.6 1.3 1.0 0.1 0.1 0.4 0.2 5.2 0.2 0.4 2.6 2.1 0.3 2.0 0.1 2.8 0.3 0.2
Quinuclidine
AWW
AlPOd -22
r
Zeolites
16:323-602,
1996
391
*BEA
Beta,
polymorph
COMPOSITION:
Sk40128
CRYSTAL
P4r22
DATA:
A SiOz framework
(No.91)
a = 12.66139 A b = 12.66139 A c = 26.40612 A /3 = 9o”
a = 90” REFERENCE:
h k 1 1 0 0 1 1 1 1 1 0 2 2 1 2 2 2 1 2 2 1 2 2 2 3 1 2 3 3 2 3 1 2 3 3 1 2 3 3 3 2 3
0 0 1 1 0 0 0 0 0 0 1 1 0 1 0 1 2 1 2 0 0 0 0 1 2 1 1 1 1 1 0 0 0 2 2 1 1
1 2 1 2 3 4 0 1 4 2 1 2 5 3 4 5 1 4 2 0 6 5 2 0 3 1 6 5 2 3 7 6 4 0 1 6 4
20 6.98 7.74 9.68 10.43 11.94 12.25 13.41 13.99 14.39 15.14 15.52 16.01 17.04 18.20 18.63 19.43 19.51 20.12 20.67 20.95 21.05 21.37 21.92 22.11 22.20 22.28 22.46 22.51 23.03 23.21 24.42 24.62 24.64 25.04 25.36 25.59 25.64 26.03
d 12.661 11.417 9.138 8.479 7.410 7.227 6.601 6.331 6.156 5.854 5.708 5.536 5.204 4.874 4.762 4.569 4.549 4.413 4.298 4.239 4.220 4.157 4.055 4.020 4.004 3.990 3.959 3.950 3.862 3.832 3.644 3.615 3.614 3.556 3.512 3.481 3.475 3.423
y = 90”
J. M. Newsam, M. M. J. Treaty, W. T. Koetsier and C. B. deGruyter, Proc. Roy. Sot. (London) A420, 375-405 (1988).
M
I rel
4 8 8 8 8 8 2 4 8 8 8 16 16 8 16 8 8 8 16 8 4 8 8 8 8 8 16 8 16 16 16 8 8 8 8 16 16 16
22.8 100.0 14.7 0.3 0.3 6.3 2.8 0.3 3.8 0.3 1.0 0.2 0.1 4.2 0.5 1.1 0.1 0.5 1.6 1.4 2.8 1.0 6.8 18.9 0.7 0.3 3.6 0.3 0.7 0.7 1.3 1.0 0.3 2.3 0.1 0.8 1.5 0.3
hk
1
22 32 00 20 10 40 40 217 22 32 40 30 33 20 32 413 22 10 414 42 317 33 40 20 415 42 30 1 0 32 31 50 43 50 43 51 512 43 50
5 2 8 7 8 0 1 6 4 2 6 0 8 5 7 9 2 4 5 9 4 8 10 7 8 0 1 1 2 1 3 3
20 26.09 26.26 27.01 27.52 27.93 28.19 28.40 28.43 28.44 28.80 29.01 29.32 29.94 30.54 30.57 30.84 31.00 31.29 32.15 32.34 32.61 32.94 32.99 33.67 33.76 34.47 34.49 34.70 34.91 35.24 35.45 35.62 35.62 36.12 36.34 36.83 36.94 36.94
d 3.415 3.394 3.301 3.241 3.194 3.165 3.143 3.139 3.138 3.100 3.078 3.046 2.984 2.927 2.924 2.899 2.885 2.858 2.784 2.768 2.746 2.719 2.715 2.662 2.655 2.602 2.600 2.585 2.570 2.547 2.532 2.521 2.521 2.487 2.472 2.440 2.434 2.434
Jvf IreI
h. k
8 16 2 8 8 4 8 16 8 16 8 8 4 8 16 16 8 8 16 16 16 8 8 8 16 16 8 8 16 16 4 16 8 16 16 16 16 8
40 2 513 42 50 1 5 40 2 52 2 52 2 53 51 40 52 3 60 53 50 61 52 2 1 52 51 3 2 50 52 60 54 53 62 63 52 5
0.2 0.1 2.3 1.8 0.2 0.8 2.9 0.5 0.6 0.4 0.2 2.0 0.5 0.9 1.9 0.1 0.1 0.7 0.5 0.1 1.1 1.1 0.2 0.8 0.1 0.1 0.2 0.2 0.2 0.3 0.2 0.7 0.4 0.3 0.2 0.3 0.7 0.5
1
0 1 2 0 1
2
1 0
2 0
0
I
20
d
M
IA
7 10
37.07 37.58 37.64 37.78 38.06 38.16 38.74 39.44 39.63 39.68 40.17 40.74 40.83 41.74 41.77 41.99 42.07 42.85 42.85 42.90 43.02 43.62 43.65 44.15 45.21 45.46 45.72 45.78 46.98 47.42 47.48 47.80 48.03 48.36 48.64 48.73 49.69 49.90
2.425 2.393 2.390 2.381 2.364 2.359 2.324 2.285 2.274 2.272 2.245 2.215 2.210 2.164 2.163 2.152 2.148 2.110 2.110 2.108 2.102 2.075 2.074 2.051 2.006 1.995 1.984 1.982 1.934 1.917 1.915 1.903 1.894 1.882 1.872 1.868 1.835 1.828
8 16 16 16 8 8 16 8 8 16 8 16 16 16 16 8 16 16 4 16 8 16 16 16 8 16 16 16 8 8 16 8 16 16 16 16 16 8
0.3 0.1 0.1 0.2 0.1 0.1 0.2 0.3 0.1 0.2 0.3 0.6 0.1 0.1 0.2 0.4 0.2 0.3 2.0 0.2 0.3 0.2 0.4 0.3 0.1 0.2 0.2 1.0 0.2 0.8 0.2 0.3 0.2 0.3 0.2 0.4 0.2 0.3
6 4 11 4 8 10 3 11 4 11 1 6 9 5 10 0 3 7 1 6 12 13 7 8 11 13 9 8 6 4 7 5 2 9 10
Zeolite beta and its mineral analog tschernichite are intergrown materials and *BEA represents the framework of a hypothetical end member. Simulated powder patterns for intergrown variants are presented later in this book.
39’2
Zeolites
16:323-802,
1996
Beta, polymorph
*BEA
A SiO, framework
Zeolites
16:323-802,
1996
393
BIK
Bi kitaite
COMPOSITION:
Liz(Si4A12012).2HzO Bikita, Zimbabwe.
CRYSTAL
Pl (No. 1) a = 8.6071 A a! = 89.900”
DATA:
0 -1 1 -2 1 1 0 0 -1 -1 2 -1 0 -2 1 1 -2 -2 2 2 -1 -1 2 -3 0 0 -2 -2 1
394
k 1 0 0 0 0 0 0 1 -1 1 -1 1 -1 0 0 02 0 1 -1 1 -1 1 -1 1 -1 0 0 1 -1 1 -1 0
1 1 1 1 0 0 1 1 1 1 0 2 2 1 1 1 1 0 0 2 2 1 1 2 2 2 2 2
20 11.29 12.80 13.11 20.34 20.93 21.21 21.23 22.05 22.09 22.24 22.27 22.69 23.43 25.76 26.39 27.20 27.25 27.67 27.68 29.04 29.07 29.62 29.67 30.52 31.20 31.52 31.58 32.06 32.09 32.33
Zeolites
d 7.836 6.917 6.754 4.366 4.244 4.189 4.185 4.031 4.024 3.997 3.993 3.918 3.797 3.458 3.377 3.279 3.273 3.223 3.223 3.075 3.072 3.016 3.011 2.929 2.867 2.838 2.833 2.792 2.789 2.769
16:323-802,
c = 7.5972 A y = 89.988”
K. Stbhl. A. Kvick and S. Ghose, Zeolites 9, 303-311 (1989).
REFERENCE:
h 1
b = 4.9540 a p = 114.437”
M 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
1996
IreI 45.2 30.6 16.1 31.3 9.7 69.7 68.2 0.6 0.5 5.4 4.6 2.4 9.3 100.0 78.4 25.4 23.3 20.0 20.4 13.5 14.9 0.6 1.0 5.9 8.7 0.7 0.7 2.7 3.0 0.1
h 2 2 -1 -3 -3 0 1 1 1 -3 1 -3 0 0 -1 -1 3 3 0 -1 -1 -2 -2 3 1 1 -2 -2 -4 2
k 1 -1 0 -1 1 2 1 -1 2 1 -2 -1 2 -2 2 -2 1 -1 03 1 -1 1 -1 0 2 -2 2 -2 0 2
1 1 1 3 1 1 0 2 2 0 2 0 2 1 1 1 1 0 0 3 3 3 3 1 1 1 1 1 1 0
20 35.58 35.64 35.76 36.20 36.21 36.27 37.17 37.23 38.09 38.10 38.11 38.12 38.58 38.63 38.71 38.73 38.96 39.00 39.07 40.24 40.30 40.56 40.61 41.71 41.90 41.97 42.24 42.25 42.44 43.19
d
M
2.523 2.519 2.511 2.482 2.481 2.477 2.419 2.415 2.362 2.362 2.361 2.361 2.334 2.330 2.326 2.325 2.311 2.310 2.306 2.241 2.238 2.224 2.221 2.165 2.156 2.153 2.139 2.139 2.130 2.095
2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
Id
h
k
8.8 9.3 0.3 18.6 18.4 43.5 1.9 2.5 0.5 3.9 0.5 4.5 1.5 1.3 1.5 1.7 1.1 1.7 1.0 1.9 2.0 0.4 0.6 0.1 0.9 1.0 1.0 1.3 0.1 0.6
2 0 0 -3 -3 0 0 1 -2 2 -2 3 3 4 -4 -4 -4 -4 -4 -2 2 2 -3 -3 -1 1 1 1 -3
-2 1 -1 1 -1 22 -2 0 2 -1 -2 1 -1 0 -1 1 1 -1 0 0 2 -2 -2 2 0 1 -1 -2 0
1 0 3 3 3 3 2 3 2 2 2 1 1 0 1 1 2 2 3 4 1 1 1 1 4 3 3 2 4
20
d
M
I IX1
43.23 43.25 43.32 44.17 44.21 44.97 45.06 45.36 45.38 45.43 45.43 45.70 45.75 46.35 46.39 46.41 46.55 46.56 46.81 47.92 48.07 48.15 48.57 48.58 49.03 49.11 49.18 49.42 49.76
2.093 2.092 2.089 2.050 2.049 2.016 2.012 1.999 1.998 1.996 1.996 1.985 1.983 1.959 1.957 1.956 1.951 1.951 1.941 1.898 1.893 1.890 1.874 1.874 1.858 1.855 1.853 1.844 1.832
2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
0.6 0.4 0.7 4.0 4.1 4.5 3.6 7.5 4.9 0.4 4.3 4.3 4.4 7.0 0.9 0.8 0.7 0.6 2.2 15.0 1.8 1.7 2.7 2.6 0.5 6.9 6.0 0.1 0.4
BIK
Bi kitaite
_;I Zeolites
16:323-802,
1996
395
BOG
Boggsite
COMPOSITION:
Na2.9Ca7.s(Si77.5A118.30192).7OHzO Goble area, Oregon, U.S.A.
CRYSTAL
Imma (No. 74) a = 20.236 A b = 23.798 A Q = 9o” p = 90”
DATA:
REFERENCE:
h
k
0 0 1 2 1 2 2 0 0 3 0 1 0 2 2 3 1 2 4 2 1 4 3 0 0 3 0 1 2 4 3 2 0 1 2 5 4 0 1 1 2 5 3 2 3
2 1 0 0 2 2 1 3 0 0 4 1 2 3 0 2 4 4 0 2 3 1 1 5 4 4 1 0 5 3 3 4 6 2 1 0 4 3 5 6 6 2 0 3 2
396
1 0 1 1 0 1 0 1 1 2 1 0 2 2 1 2 1 1 0 0 2 2 1 2 1 2 1 3 3 1 1 2 2 0 3 3 1 0 3 2 1 0 1 3 3 3
20 7.43 7.84 8.17 8.74 11.05 11.48 11.75 13.13 13.84 14.85 14.89 14.99 15.72 15.79 16.39 16.62 17.01 17.29 17.53 18.02 18.34 19.23 19.48 19.90 20.38 21.09 21.16 21.28 21.77 21.96 22.19 22.21 22.41 22.57 22.93 23.05 23.08 23.68 23.71 23.90 24.10 24.25 24.69 25.29 25.82
Zeolites
d 11.899 11.272 10.816 10.118 8.004 7.708 7.529 6.742 6.399 5.967 5.949 5.910 5.636 5.611 5.408 5.334 5.213 5.129 5.059 4.924 4.836 4.615 4.556 4.461 4.357 4.213 4.199 4.174 4.082 4.047 4.007 4.002 3.966 3.939 3.878 3.859 3.854 3.757 3.753 3.724 3.693 3.671 3.606 3.522 3.451
16:323-902,
c = 12.798 A y = 90”
3. J. Pluth and J. V. Smith, Am. Mineral. 75, 501-507 (1990).
M
I Rl
2 4 4 2 8 4 8 4 2 4 2 8 4 8 4 8 8 4 2 8 8 8 8 4 4 8 4 4 8 8 8 8 2 8 8 4 4 4 8 8 4 8 4 8 8
23.6 85.7 19.7 21.4 5.6 2.2 2.1 15.1 0.2 9.4 1.3 3.2 8.2 1.5 2.4 0.1 1.2 0.2 5.5 5.7 0.2 0.3 5.8 38.4 34.0 3.9 1.1 1.9 0.2 0.3 12.3 2.0 3.1 0.3 1.9 100.0 0.2 14.5 2.4 0.7 7.2 15.5 35.5 8.1 1.3
1996
hkl 1 5 6 0 4 3 3 4 6 6 0 2 0 5 0 3 2 6 4 0 1 2 5 1 1 3 1 2 5 7 0 4 5 5 7 3 3 2 4 0 6 3 6 3 5
4 1 0 6 5 5 6 4 2 1 0 6 5 3 2 4 0 3 3 8 7 2 0 3 6 1 8 8 2 0 4 6 5 6 2 7 3 4 0 8 5 6 4 8 4
3 2 0 2 1 2 1 2 0 1 4 2 3 2 4 3 4 1 3 0 2 4 3 4 3 4 1 0 3 1 4 2 2 1 1 2 4 4 4 2 1 3 2 1 3
20
d
M
I rel
hkl
26.08 26.32 26.43 26.44 26.64 26.83 26.99 27.01 27.49 27.61 27.88 27.89 28.09 28.42 28.90 28.96 29.28 29.62 29.62 30.04 30.09 30.24 30.44 30.45 31.10 31.17 31.18 31.34 31.38 31.73 31.75 31.90 32.23 32.37 32.63 32.65 32.98 33.00 33.13 33.21 33.30 33.59 33.60 33.66 34.05
3.417 3.386 3.373 3.371 3.346 3.323 3.303 3.301 3.245 3.231 3.200 3.198 3.177 3.141 3.090 3.083 3.051 3.016 3.016 2.975 2.970 2.955 2.936 2.936 2.875 2.870 2.868 2.854 2.851 2.820 2.818 2.805 2.778 2.766 2.744 2.743 2.716 2.715 2.704 2.697 2.690 2.668 2.667 2.662 2.633
8 8 2 4 8 8 8 8 4 8 2 8 4 8 4 8 4 8 8 2 8 8 4 8 8 8 8 4 8 4 4 8 8 8 8 8 8 8 4 4 8 8 8 8 8
5.5 36.4 2.8 71.1 0.7 7.8 9.9 1.2 0.7 1.5 3.2 10.4 3.7 2.0 0.1 6.1 3.8 0.3 0.1 10.2 0.3 0.4 6.1 3.5 7.0 3.7 0.6 0.9 0.2 1.1 5.3 0.3 5.7 1.5 0.6 0.1 0.6 1.4 0.4 0.1 0.2 4.1 0.6 0.2 17.3
1 2 0 7 1 8 6 7 0 3 8 2 4 0 1 2 5 7 3 5 6 0 8 2 5 5 7 1 8 6 7 7 3 3 0 0 6 3 9 3 4 0 2 8 5
5 8 9 4 0 0 3 3 6 5 1 1 4 3 9 6 7 0 0 3 6 10 3 3 6 8 2 4 4 5 5 6 9 8 5 9 8 4 0 10 3 8 10 1 0
4 2 1 1 5 0 3 2 4 4 1 5 4 5 2 4 2 3 5 4 2 0 1 5 3 1 3 5 0 3 2 1 2 3 5 3 0 5 1 1 5 4 2 3 5
28
d
M
I rel
34.05 34.41 34.64 35.22 35.35 35.49 35.78 35.92 36.07 36.36 36.40 36.40 36.50 36.90 37.05 37.18 37.29 37.58 37.58 37.59 37.73 37.80 37.99 37.99 38.13 38.20 38.37 38.55 38.68 38.95 39.08 39.20 39.21 39.26 39.99 40.12 40.43 40.63 40.74 40.82 41.13 41.45 41.45 41.68 41.75
2.633 2.607 2.589 2.548 2.539 2.529 2.510 2.500 2.490 2.471 2.468 2.468 2.462 2.436 2.426 2.418 2.411 2.393 2.393 2.393 2.384 2.380 2.368 2.368 2.360 2.356 2.346 2.336 2.328 2.312 2.305 2.298 2.298 2.295 2.254 2.247 2.231 2.220 2.214 2.211 2.195 2.179 2.178 2.167 2.163
8 8 4 8 4 2 8 8 4 8 8 8 8 4 8 8 8 4 4 8 8 2 8 8 8 8 8 8 4 8 8 8 8 8 4 4 4 8 4 8 8 4 8 8 4
0.2 0.2 13.3 2.4 0.3 3.0 0.4 1.9 0.9 2.1 0.8 0.7 0.3 6.4 0.2 0.5 0.9 2.0 0.7 2.8 0.6 0.3 0.9 2.2 4.6 1.4 0.3 0.1 1.3 0.4 0.4 2.8 0.4 1.2 0.4 2.7 0.2 0.5 0.8 0.4 0.1 0.3 0.1 0.5 1.1
BOG
Boggsite
3
7
Zeolites
16:323-602,
1996
397
BPH
Beryllophosphate-H
COMPOSITION:
Na7K7(Be14P14056).20H20
CRYSTAL
P321 (No. 150) a = la.5815 A’ b = 12.5815 A o! = 90” p = 90”
DATA:
REFERENCE
h
k
0 1 0 101 1 0 1 2 0 10 2 1 0 210 0 2 121 2 0 10 3 113 12 2 0 2 2 0 3 2 3 014 1 1 3 12 2 2 1 0
0 0 1
398
1 1 0 1
1 0 0 2 1 1 0 0 12 2 01 1 2 0 3 2 0
2 2
1 1
1 3 3
01 2 12 2 0 2 3 0 2 1 0 3 1
3 3 0 2 2 1 0 4 1 1 3
13 2 2 1 4 3 3
20 7.10 8.11 10.79 10.79 14.08 14.23 15.78 16.27 16.40 16.40 17.77 20.07 21.41 21.58 21.68 21.68 22.74 22.74 22.93 22.93 25.55 25.72 25.94 25.94 27.01 27.01 28.37 28.45 28.45 29.29 29.56 29.85 29.85 30.44 30.44 30.58 30.58 31.88 32.08 32.77
Zeolites
d 12.451 10.896 8.200 8.200 6.291 6.225 5.615 5.448 5.405 5.405 4.991 4.425 4.150 4.118 4.100 4.100 3.910 3.910 3.878 3.878 3.487 3.464 3.435 3.435 3.301 3.301 3.145 3.137 3.137 3.050 3.022 2.993 2.993 2.937 2.937 2.923 2.923 2.807 2.790 2.733
16:323-802,
c = 12.4508 A y = 120”
G. Harvey, Ch. Baerlocher and T. Wroblewski, Z. Kristallogr. 201, 113-123 (1992).
M
I rel
2 6 6 6 6 2 12 6 6 6 6 12 2 12 6 6 12 12 6 6 6 12 12 12 6 6 6 6 6 12 12 6 6 12 12 12 12 12 12 6
68.8 100.0 1.3 0.1 2.6 2.4 7.5 1.1 0.5 1.5 1.3 1.8 2.9 9.1 3.8 2.6 24.3 15.5 0.9 14.3 4.3 11.2 6.1 12.6 0.1 0.4 6.3 9.4 2.1 20.4 5.9 0.1 0.2 1.4 16.1 5.9 10.8 27.3 47.5 5.6
1996
h
k
1
3 4 13 312 0 2 0 4 2 3 4 0 12 2 2 3 13 3 0 4 0 141 4 2 3 1 0 0 2 14 2 5 13 3 0 5 2 3 12 2
0 0
3 0 2
2 4 0 4 41 01 2 3 2 0 0 2 0 5 4 1 4 31 21 3 13 15 1 0 3 4 1 3 2 1 4 2 0 2 0 1 51 01 3 2 15
1 2 2 5 3 5 5 2 4 0 4 4
3 3 5
28
d
M
Ire1
h
k
32.77 32.88 32.95 32.95 33.15 33.15 33.68 33.68 35.82 35.93 35.99 36.07 36.17 36.17 36.67 36.67 36.79 36.79 37.03 37.84 38.07 38.55 38.55 38.82 38.82 38.90 39.57 39.80 39.80 40.62 40.78 41.43 41.65 41.65 42.09 42.09 42.20 42.20 42.42 42.42
2.733 2.724 2.719 2.719 2.703 2.703 2.661 2.661 2.507 2.500 2.495 2.490 2.483 2.483 2.451 2.451 2.443 2.443 2.428 2.378 2.363 2.336 2.336 2.320 2.320 2.315 2.277 2.265 2.265 2.221 2.213 2.179 2.168 2.168 2.147 2.147 2.141 2.141 2.131 2.131
6 6 12 12 6 6 6 6 12 12 6 2 12 12 12 12 12 12 6 12 6 12 12 12 12 12 6 6 6 12 12 6 12 12 6 6 12 12 12 12
3.4 10.1 4.4 4.3 0.2 1.4 1.9 0.4 4.3 4.4 0.2 1.6 9.1 5.2 0.8 1.9 0.4 1.5 2.9 1.8 0.1 0.4 0.6 0.3 1.5 1.8 0.6 0.7 0.5 0.6 2.1 9.2 6.6 3.7 0.6 1.3 2.1 1.5 0.5 1.0
3 0 3 14 413 0 5 0 0 4 10 2 4 3 116 510 2 4 2 2 3 0 2 151 511 0 5 13 3 414 3 15 5 1 2 2 4 0 4
3 0 0 6 31 3 5 0 3 4 0
1
2 2 5 4 4 6
41 21 3 2
4 2 2 3 2 2 0
2 2 5 4 4 6 6
5 0
3 3 5
15 3 1 2 1 4 2 4 0
3 2 2 6 6 3 3 5 5
28 43.14 43.62 43.78 43.88 43.88 44.02 44.02 44.09 44.18 44.18 44.44 44.60 44.60 45.65 46.06 46.40 46.45 46.45 46.51 46.60 46.60 46.85 46.85 47.00 47.00 47.10 47.10 47.30 47.30 48.16 48.65 48.78 48.78 49.16 49.16 49.41 49.41 49.60 49.60
d
M
Ire1
2.097
6 2 12 12 12 6 6 6 6 6 6 12 12 12 12 12 12 12 12 12 12 6 6 12 12 6 6 12 12 12 12 12 12 12 12 12 12 6 6
4.5 3.0 2.7 1.4 4.7 0.7 1.6 0.1 0.2 0.3 0.3 0.2 1.5 0.7 0.8 4.1 0.3 1.4 0.4 0.2 0.2 0.2 1.1 1.7 0.6 1.7 0.4 1.8 1.8 0.5 0.2 0.3 0.2 0.9 0.6 0.2 1.0 0.2 0.1
2.075 2.068 2.063 2.063 2.057 2.057 2.054 2.050 2.050 2.038 2.032 2.032 1.987 1.971 1.957 1.955 1.955 1.952 1.949 1.949 1.939 1.939 1.933 1.933 1.929 1.929 1.922 1.922 1.889 1.872 1.867 1.867 1.853 1.853 1.845 1.845 1.838 1.838
BPH
Beryllophosphate-H
J 3
Zeolites
16:323-602,
1996
399
BRE
Brewsterite
COMPOSITION:
(K~.~~B~.~~Sr~.~~)(Si~~Al~0~~)~1OH~O Strontian, Argyll, Scotland.
CRYSTAL
P121/m 1 (No. 11) unique axis b a = 6.793 A b = 17.573 A c = 7.759 A p = 94.54” a = 9o” y = 90”
DATA:
J. L. Schlenker, J. J. Pluth and J. V. Smith, Acta Cryst. B33, 2907-2910 (1977).
REFERENCE:
h
k
1
20
d
0 0 0 1 1 0 1 -1 -1 1 1 0 -1 1 0 1 -1 0 0 0 1 1 0 -1 -1 2 -1 2 1 1 -1 0 0 -2 1 2 -2 1 1 2 -2 -1 2 2 -1
2 0 1 0 1 2 2 0 1 0 1 3 2 3 4 2 3 0 4 1 3 4 2 0 1 0 4 1 4 0 2 3 5 0 1 2 1 5 2 0 2 3 1 3 5
0 1 1 0 0 1 0 1 1 1 1 1 1 0 0 1 1 2 1 2 1 0 2 2 2 0 1 0 1 2 2 2
10.07 11.44 12.50 13.07 14.02 15.26 16.53 16.70 17.45 18.08 18.78 19.00 19.54 20.04 20.21 20.74 22.61 23.00 23.28 23.55 23.65 24.15 25.16 25.60 26.11 26.32 26.33 26.81 27.25 27.45 27.58 27.64 27.88 27.92 27.92 28.25 28.38 28.61 29.30 29.63 29.74 29.87 30.07 30.49 30.51
8.787 7.735 7.079 6.772 6.319 5.806 5.364 5.307 5.081 4.906 4.725 4.670 4.543 4.430 4.393 4.284 3.933 3.867 3.820 3.777 3.761 3.686 3.540 3.479 3.413 3.386 3.384 3.325 3.273 3.249 3.235 3.227 3.200 3.196 3.195 3.159 3.144 3.120 3.048 3.015 3.004 2.991 2.972 2.931 2.930
1 1 2
0 1 0 2 1 1 2 1
0 1
400 Zeolites
16:323-802,
M 2 4 2 4 4 4 2 4 2 4 4
I rel 5.3 5.4 18.8 43.0 100.0 2.9 0.5 18.6 58.5 22.5 31.1
79.8 75.6 1.1 1.0 5.0 35.6
18.9 10.0 30.4 0.7 13.2 4 2 4 2 4 4 4 2 4 4 4 2 4 4 4 4 4 2 4 4 4 4 4
25.9 1.9 28.6 0.6 3.2 2.7
69.2 1.3 0.6 0.3 5.7 10.0 23.0 2.1 3.0 28.6 41.2 10.4
9.3 5.9 18.0 56.5 41.1
1996
h k 0 6 0 4 1 2 1 -2 0 -1 1 2 2 -2 -2 1 0 -2 0 -1 0 -2 1 2 -1 0 -1 2 -1 2 2 -2
0 1 -1 -2 2
0 1 0 1 2 -1 -2 -1 1 2
5 2 3 3 6 4 6 4 3
0 1 4 5 4 0 6 1 2 6 4 0 2 5
0 1 5 1 3 7 5 2 5 2 3 7 6 1 5 3 4 7 2 3
1 0 2 1 1 2 1 1 2 0
0 1 2 2 2 2 1 3 1 3 2 1 1 3 3 2 2 3
0 2 2 1 2 3 1 2 3 0 2 3 1 3 2 1 3 2
28 30.52 30.80 31.31 31.36 31.48 31.90 32.69 32.84 33.33 33.41 33.42 33.78 34.17 34.33 34.48 34.71 34.80
34.99 35.18 35.33 35.70 36.13
36.29 36.31 36.33 36.63 36.66 36.86 37.00 37.20 37.67 37.70 37.75 38.06
38.09 38.14 38.23 38.56 38.68
d 2.929 2.903 2.857 2.852 2.841 2.806
2.739 2.727 2.688 2.682 2.681 2.654 2.624 2.612 2.601 2.585 2.578 2.564 2.551 2.540 2.515 2.486 2.475 2.474 2.473 2.453 2.451 2.438 2.430 2.417 2.388 2.386 2.383 2.364 2.363 2.360 2.354 2.335 2.328 2.288 2.280 2.272
39.37 39.52 39.68 39.72 2.269 39.73 2.269 39.84 2.263
M
1x1
2 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 2 4 4 4 4 4 2 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4
13.8 7.1 7.9 0.4 6.4 18.3 13.7 23.8 1.1 9.9 10.1 0.6 14.1 2.8 3.5 0.2 22.0 0.8 0.1 5.0 13.5 8.6 1.4 4.9 3.4 5.0 5.5 0.6 0.2 11.2 1.4 3.1 4.9 7.0 1.8 0.1 16.8 3.4 3.5 0.5 1.6 9.5 1.4 1.9 8.6
h lc 1 20 3 0 0 39.94 -1 3 1 0 2 -3 0 3 1 1 -2 -1 -3 2 -2 3 -2 -2 3 3
0 1 0 -2 -3 1 3 -1 -1 -1 -3 2 2 3 -3 -2 1 3 1 -3 2 -2 -3 -2
6 1 7 4 6 1 8 2 3 6 6 4 2 4
0 01 1 5 1 3 7 8 5 2 3 4 2 7 8 5
0 7 5 4 1 3 8 3 7 4
2 0 1 3
0 1
0 0 3 2 1 3 1 2 3 3 2 1
40.25 40.28 40.36 40.57 40.73 41.08 41.09 41.29 41.42 41.51 41.83 41.89 42.08 42.19 42.35 42.60 42.67
42.69 42.93 0 42.94 2 42.95 0 3 3 1 3 1 2 1 3 2
43.30 43.53 43.64 43.70 43.70
43.89 44.50 44.64 44.78 44.86
0 44.95 2
0
0
2 3 1 1 2 1 3
7 2 6
2 2
45.07 45.16 45.17 45.22 45.23 45.46 45.67
45.89 45.90 1 45.97 46.10 46.16
d
M
IreI
2.257 2.241 2.239 2.235 2.224 2.215 2.197 2.197 2.186 2.180 2.175 2.159 2.157 2.147 2.142 2.134 2.122 2.119 2.118 2.107 2.106 2.106 2.089 2.079 2.074 2.071 2.071 2.063 2.036 2.030 2.024 2.020 2.017 2.012 2.008 2.007 2.005 2.005 1.995 1.987 1.977 1.977 1.974 1.969 1.966
2 4 4 4 4 4 4 2 4 4 4 4 4 4 4 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 2 4 4 4
0.7 0.7 3.8 3.1 7.6 8.6 0.8 8.5 1.4 3.0 1.1 1.2 2.0 6.5 11.7 1.6 7.7 2.3 4.6 0.2 10.3 0.5 0.2 1.7 0.2 1.9 7.7 5.9 2.0 4.4 20.8 7.3 0.3 0.1 0.3 0.2 0.2 1.1 0.8 2.6 10.6 1.5 1.6 1.7 0.1
Brewsterite
Zeolites
16:323-602,
1996
401
CAN
Cancrinite
COMPOSITION:
Na~C~,~(Si~Als0~4)~1.4C03~2.lH20 Synthetic crystal.
CRYSTAL
P63 (NO. 173) a = 12.635 A cy = 90”
DATA:
Y. I. Smolin, Kristallografiya
REFERENCE:
hkl 1 1 2 1 1 2 1 2 3 1 2 2 1 3 3 4 1
402
28 0 1
0 0
0 0 0 2 1 1 0
0 2 1 2 3 1 0 0 3
1 0 0 1 1 0 1 1 0 0 0 1 0 1
8.08 14.02 16.20 19.15 21.49 21.49 22.36 23.81 24.40 27.74 27.74 28.25 29.43 29.43 30.09 32.74 34.36
Zeolites
d 10.942 6.318 5.471 4.634 4.136 4.136 3.975 3.736 3.647 3.216 3.216 3.159 3.035 3.035 2.970 2.736 2.610
16:323-802,
c = 5.115 A y = 120”
Y. F. Shepelev, I. K. Butikova 26? 63-66 (1981).
A4
Ire1
h
k
1
6 6 6 12 6 6 12 12 6 12 12 6 6 6 12 6 12
2.0 63.7 1.6 100.0 1.0 6.8 0.7 3.8 61.5 58.4 54.7 0.4 2.0 1.6 5.9 43.5 17.7
3 0 2 3 1 4 1 4 1 2 2 3 5 1 2 1 4
1 0 3 2 0 0 4 1 1 0 3 2 0 2 1 4 1
1 2
1996
b = 12.635 A p = 90”
0 0 2 1 0 0 2 2 1 1 0 2 2 1 1
and I. B. Kobyakov,
28
d
M
IreI
hkl
34.36
2.610 2.557 2.510 2.510 2.490 2.412 2.388 2.388 2.371 2.317 2.254 2.254 2.188 2.175 2.175 2.164 2.164
12 2 6 6 12 12 6 6 12 12 12 12 6 12 12 12 12
13.7 42.6 1.4 0.9 1.1 35.0 1.8 1.1 1.2 1.8 9.1 10.6 2.0 1.6 2.0 6.8 6.4
3 3 2 4 5 2 1 5
35.09 35.77 35.77 36.06 37.27 37.67 37.67 37.95 38.87 40.01 40.01 41.25 41.51 41.51 41.75 41.75
1 3 2 4 4 1 5
3
28 0 42.95
2.106
0
2
2.094
4 2 0 2 5 1 3 1 4 2
0 0
0 5 1
1 2 0 0 2 2 1 1 2 1 1
43.20 43.78 43.78 45.06 45.64 46.19 46.19 46.43 46.43 47.42 47.42 48.74 49.70 49.70
d
2.068 2.068 2.012 1.988 1.965 1.965 1.956 1.956 1.917 1.917 1.868 1.835 1.835
M
Ire1
6 12 6 6 12 12 6 6 12 12 12 12 12 12 12
23.5 12.9 0.4 0.2 5.9 0.5 0.3 0.4 0.4 0.5 1.1 0.5 13.4 0.5 0.3
Cancrinite
J i
Zeolites
16:323-802,
1996
403
CAN
Tiptopite
COMPOSITION:
K~(Li2.gNa~,7C~.~~o.~)[BesPsO~~(OH)~]~1.3H~O; Tip Top Mine, Custer, S. Dakota, U.S.A.
CRYSTAL
P63 (NO. 173) a = 11.655 A ck = 90”
DATA:
REFERENCE:
hkl
28
1
0
0
1 2 1 1 2 1 2 3 1 2 1 3
1 0 0 2 1 1 0 0 2 1 3 1
0 0 1 0 0 1 1 0 1 1 0 0
404
8.76 15.20 17.57 20.88 23.32 23.32 24.35 25.93 26.49 30.19 30.19 31.97 31.97
Zeolites
d 10.093 5.827 5.047 4.255 3.815 3.815 3.655 3.436 3.364 2.960 2.960 2.799 2.799
16:323-802,
b = 11.655 A /3 = 90”
00.7
= cation
vacancy.
c = 4.692 A y = 120”
D. R. Peacor, R. C. Rouse and J. H. Ahn, Am. Mineral. 72, 816-820 (1987).
M
Ire1
h
k
1
28
d
M
IreI
h
k
6 6 6 12 6 6 12 12 6 12 12 6 6
0.8 9.0 5.5 13.4 38.8 2.0 31.9 20.2 44.1 34.2 100.0 0.7 0.8
3 4 1 3 0 2 3 1 4 1 4 1 2
0 0 3 1 0 3 2 0 0 4 1 1 3
1 0 1 1 2 0 0 2 1 0 0 2 1
32.75 35.58 37.41 37.41 38.37 38.89 38.89 39.43 40.59 40.97 40.97 41.49 43.59
2.734 2.523 2.404 2.404 2.346 2.316 2.316 2.285 2.222 2.203 2.203 2.176 2.077
12 6 12 12 2 6 6 12 12 6 6 12 12
3.5 43.2 1.7 3.1 31.8 1.3 3.7 1.2 20.6 2.4 2.7 7.7 10.5
3 1
2 2 1 4 1 3 0 4 2 0 2
1996
2 1 4 3 3 2 4 5 2
1 1 2 2 1 1 0 2 0 0 1 2
28
d
M
Ire,
43.59 45.38 45.38 45.49 45.49 46.76 47.23 47.67 47.67 49.13 49.91
2.077 1.998 1.998 1.994 1.994 1.942 1.924 1.908 1.908 1.854 1.827
12 12 12 12 12 6 12 6 6 12 12
4.2
3.2 4.1 0.9 1.7 11.7 1.0 0.3 0.1 0.6 2.0
Tiptopite
Zeolites
16:323-802,
1996
405
Cs-Aluminosilicate
COMPOSITION:
Cs4(Si24048)
CRYSTAL
Ama (no. 40) a = 16.776 A Q = 90”
DATA:
REFERENCE:
T. Araki, Z. Kristallogr.
h
k
1
28
d
M
I~J
2
0 2 2 1 1 2 0 1 1 2 4 3 4 3 4 3 1 2 4 3 0 1
0 0 0 1 1 0 0 1 1 0 0 1 0 1 0 1 1 0 0 1 0 1
10.55 12.80 16.62 18.80 19.54 20.43 21.18 21.60 24.68 24.83 25.77 26.25 26.32 26.79 27.91 28.36 28.47 29.59 30.40 30.81 32.01 32.75
8.388 6.914 5.335 4.719 4.543 4.348 4.194 4.113 3.607 3.586 3.457 3.395 3.386 3.328 3.196 3.147 3.135 3.018 2.941 2.902 2.796 2.735
2 2 4 4 8 4 2 8 8 4 2 4 4 8 4 8 8 4 4 8 2 8
0.2 1.7 0.9 2.0 2.9 1.1 0.7 48.3 100.0 53.4 20.8 17.8 22.3 39.4 5.7 6.1 1.9 12.8 8.6 14.1 5.1 10.4
0 2 0 1 3 4 2 3 4 0 0 1 1 2 2 4 5 3 3 6 5
406
Zeolites
16:323-802,
1996
152, 207-213
hkl 4 4 6 0 0 5 6 2 1 5 0 1 2 1 2 7 3 2 3 6 6 4
4 3 2 0 5 4 1 0 5 3 2 2 5 6 2 2 5 6 2 4 3 0
b = 13.828 h; p = 90”
0 1 0 2 1 0 1 2 1 1 2 2 1 0 2 0 1 0 2 0 1 2
c = 5.021 A y = 90”
(1980).
28
d
M
I rel
hkl
33.59 33.97 34.60 35.77 37.11 37.35 37.38 37.39 37.51 37.69 38.14 38.53 38.69 39.47 39.68 39.81 40.58 40.59 41.54 41.54 41.85 41.94
2.668 2.639 2.592 2.511 2.422 2.408 2.405 2.405 2.398 2.387 2.360 2.337 2.327 2.283 2.272 2.264 2.223 2.222 2.174 2.174 2.158 2.154
4 8 4 2 4 4 8 4 8 8 4 8 8 4 8 4 8 4 8 4 8 4
2.1 3.9 4.5 12.5 3.4 1.8 6.7 1.7 1.8 0.1 8.4 1.8 7.8 2.2 1.3 1.6 1.0 0.2 1.7 0.4 7.2 0.2
7 3 4 8 4 0 4 1 2 7 5 7 5 8 3 5 6 0 6 4 1
1 6 5 0 2 4 6 4 4 4 5 3 2 1 4 6 0 7 5 4 7
1 0 1 0 2 2 0 2 2 0 1 1 2 1 2 0 2 1 1 2 1
28
d
M
42.29 42.42 43.12 43.14 44.03 44.61 44.87 44.95 45.97 46.08 46.22 46.37 47.08 47.44 47.63 47.88 48.75 49.59 49.80 49.88 49.91
2.137 2.131 2.098 2.097 2.057 2.031 2.020 2.017 1.974 1.970 1.964 1.958 1.930 1.916 1.909 1.900 1.868 1.838 1.831 1.828 1.827
8 4 8 2 8 4 4 8 8 4 8 8 8 8 8 4 4 4 8 8 8
Ire1 4.5 1.8 4.3 2.4 3.4 0.3 1.0 3.7 1.0 0.2 1.5 2.6 4.0 0.6 4.1 4.8 3.4 5.7 1.8 1.9 0.7
CAS
Cs-Aiuminosilicate
3 >
0
8
Zeolites
16:323-602,
1996
407
CHA
Chabazite
COMPOSITION:
(K3.2Nao.75)(Sis.zAl3.sO~~).8.4H20 North East Azerbaijan, Iran.
CRYSTAL
R3m (No. 166) rhombohedral a = 9.459 A b = 9.459 A a = 94.07” p = 94.07”
DATA:
REFERENCE:
hkl 1 0 1 0 1 1 1 1 1 1 2 0 2 0 2 -1 2 1 2 1 2 0 2 1 2 2 2 2 3 0 3 0 2 2
408
0 -1 0 -1 1 0 -1 -1 -1 1 -2 -2 0 -1 0 -1 1
M. Calligaris, G. Nardin and L. Randaccio, Zeolites 3, 205-208 (1983).
20
d
Ad
Lel
hkl
9.40 12.79 13.81 15.90 17.53 18.87 20.45 22.24 22.86 24.61 25.74 27.46 27.83 28.46 28.46 29.32 30.38
9.408 6.922 6.412 5.575 5.059 4.704 4.342 3.996 3.891 3.617 3.461 3.248 3.206 3.136 3.136 3.046 2.942
6 6 6 6 2 6 12 6 12 6 6 12 6 6 6 12 6
100.0 15.3 1.4 6.9 12.6 7.3 40.6 3.8 26.7 23.3 4.0 3.0 7.2 0.5 2.4 1.2 4.3
3 3 3 2 3 3 3 3 3 3 2 4 3 4 3 4 3
Zeolites
16:323-802,
setting c = 9.459 A y = 94.07”
1996
-1 -1 1 0 1 -1 2 -2 1 1 0 -2 -1 -2 1 -2 2 0 1 2 2 -3 0 0 2 -2 0 -1 0 -3 0 -2 3 0
28
d
30.40 30.73 31.31 32.11 33.08 33.10 34.27 34.69 35.60 37.87 37.99 38.27 38.75 38.75 39.04 41.60 42.29
2.940 2.909 2.856 2.788 2.708 2.706 2.616 2.586 2.522 2.376 2.368 2.352 2.324 2.324 2.307 2.171 2.137
b!l
Ire1
6 12 12 6 6 12 12 12 12 12 6 6 12 12 6 12 6
63.6 38.2 0.9 3.2 5.0 1.7 10.4 4.3 14.4 0.9 0.6 0.7 4.6 0.1 6.9 1.5 0.1
h 4 3 4 3 4 3 4 4 4 4 4 5 3 5 3
k
1
20
d
M
Ire,
1 2 1 2 2 3 2 2 0 -1 1 0 3 0 3
1 2 -2 -3 0 1 -1 1 -3 -3 -3 0 2 -1 -3
42.29 42.37 43.09 43.70 44.36 44.43 44.45 46.43 46.46 47.35 47.67 48.37 48.59 48.62 49.01
2.137 2.133 2.099 2.071 2.042 2.039 2.038 1.956 1.955 1.920 1.908 1.882 1.874 1.873 1.858
6 6 12 12 12 6 12 12 12 12 12 6 6 12 6
0.6 0.2 5.9 2.7 0.1 1.3 1.0 1.7 0.5 1.6 0.4 5.4 3.1 0.3 0.3
CHA
Cha bazite
Zeolites
16:323-602.
1996
409
CHA
Methylbutylamine
SAPO-47
COMPOSITION:
(Als.&~.4P4.s0~~)~1.4C~H~~NH2~2.5H20
CRYSTAL
148) rhombohedral setting b = 9.3834 A c = 9.3834 A LY = 94.085” 0 = 94.085” “i = 94.085”
DATA:
R5 (No.
a = 9.3834 A
J. J. Pluth and J. V. Smith, J. Phys. Chem. 93, 6516-6520
REFERENCE:
hk I
0
1 1 1 1 2 2 2 2 2 2 1 2 2 2 1 2 2 3 3 2 3 3 3
0 0 -1 1 0 -1 0 0 1 -1 -1 -1 1 0 -2 -2 0 -1 0 1 -1 0 1
410
128 0 -1 1 1 1 0 0 -1 1 0 -1 2 1 1 -2 2 1 2 0 -1 2 -1 1 0
9.48 12.89 13.93 16.02 17.68 19.02 20.62 20.62 21.94 21.94 22.42 23.04 23.04 24.82 25.95 27.68 27.68 28.06 29.56 29.56 30.64 30.65 30.99 30.99
Zeolites
d 9.332 6.867 6.359 5.531 5.017 4.666 4.308 4.308 4.051 4.051 3.965 3.859 3.859 3.587 3.434 3.223 3.223 3.180 3.021 3.021 2.918 2.917 2.885 2.885
16:323-802,
Ad
I rel
h
k
1
20
6 6 6 6 2 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6
100.0 34.9 2.4 14.6 8.9 0.3 45.3 23.7 0.4 3.7 3.0 0.4 7.0 26.9 9.7 0.8 1.7 3.1 0.6 1.7 7.9 24.9 4.6 5.3
3 3 2 3 3 3 3 3 1 3 2 3 3 3 2 4 2 3 4 3 4 4 4 4
-1 1 -2
1 -1 2 1 0 -2 -1 -2 3 1 3 2 2 1 2 0 3 2 -1 -3 -1 1 -1 0
31.57 31.57 32.37 33.36 33.37 33.37 34.56 34.56 34.98 34.98 35.90 35.90 38.20 38.20 38.30 38.59 39.07 39.07 39.07 39.36 39.74 40.85 40.85 41.95
1996
1 -2 0 -2 -1 -2 -2 0 0 1 2 -3 0 -2 -2 0 0 -1 -1 1 -2
d 2.834 2.834 2.766 2.686 2.685 2.685 2.596 2.596 2.565 2.565 2.501 2.501 2.356 2.356 2.350 2.333 2.305 2.305 2.305 2.289 2.268 2.209 2.209 2.154
(1989)
A4 Ire] 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6
0.8 1.5 1.6 2.9 0.4 0.8 2.1 3.3 0.9 0.3 1.8 2.5 0.1 0.2 0.4 1.0 0.2 0.2 0.2 0.7 2.7 0.1 0.2 0.2
h
k
1
26
d
M
Ire,
4 3 4 3 3 4 4 4 4 2 3 4 3 3 4 4 4 4 2 4 4 1 5 3
0 0 1 2 -1 -2 -1 -2 1 -3 -3 0 1 -2 -2 1 -3 0 -2 -3 -1 -3 0 2
-2 3 1 2 3 -1 -2 1 -2 3 2 2 3 3 -2 2 0 -3 4 -1 -3 4 0 3
41.95 42.65 42.65 42.74 42.74 42.75 42.75 43.45 43.45 44.06 44.06 44.74 44.82 45.09 45.77 46.84 46.85 46.85 47.09 47.75 47.75 48.07 48.79 49.02
2.154 2.120 2.120 2.116 2.115 2.115 2.115 2.083 2.083 2.055 2.055 2.026 2.022 2.011 1.982 1.940 1.939 1.939 1.930 1.905 1.905 1.893 1.866 1.858
6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6
0.1 1.1 0.9 0.3 0.9 0.3 0.1 1.0 1.5 0.1 0.3 0.2 0.1 0.6 0.2 0.2 0.6 0.3 0.1 1.2 2.2 0.1 3.8 1.5
Methylbutylamine
co
0
z
z
v)
0
u 0
CHA
SAPO-47
cr) 0
N 0
r
0
Zeolites
0
16:323-802,
1996
411
-CHI
Chiavennite
COMPOSITION:
CRYSTAL
Ca4Mn4(SizoBe8Os2(OH)8).8HzO Val di San Giacomo, Chiavenna, P2lab
DATA:
(No.
a = 8.729
A
cr = 90” REFERENCE:
hkl
20
0 0
2 4 2 4 6 0 2 6 3
1
1 0 0
0 1 0 2 1 2
0 1 1
0 0 2 1
0 1 1 2 1
0 2 2 2 0 2 1 0 2 1 2 2 1 3
0 0 0 0 0 1 1 0 1
0
0
1 2 4 2 3 8 5 4 4 6 8 5 6 6 7 0 1 2 10 3 7 8 4 10 8 5 8 2
1
412
0 1 1 1
0 1
0 1 1
0 1
0 1 1 1 1 1 0 1 1 1 1 0
0 1 1
0
5.64 11.30 11.61 15.20 16.98 18.09 18.97 19.81 20.01 20.35 20.97 21.13 21.38 21.55 22.47 22.71 23.03 23.33 23.71 24.91 24.92 25.22 26.62 26.96 26.97 27.36 27.51 27.95 28.49 28.69 28.88 29.19 29.68 30.31 30.67 30.92 30.97 31.27
Zeolites
d 15.663 7.831 7.625
5.829 5.221 4.903 4.679 4.481 4.438 4.365 4.236 4.204 4.156 4.124 3.956 3.916 3.861 3.812 3.752 3.574 3.573 3.531
3.349 3.308 3.305 3.260 3.243 3.192 3.133 3.112 3.091 3.060 3.010 2.949 2.915 2.892 2.888 2.861
16:323-802,
29) cab setting b = 31.326 A p = 90”
Italy,
c = 4.903 A y = 90”
V. Tazzoli, M. C. Domeneghetti, F. Mazzi and E. Cannillo Eur. J. Mineral. 1995 (in press)
M
I rel
hkl
2 2
100.0 11.2 4.6 17.7 0.5 15.0 1.3
2 3 1 0 2 0 2 3 1 2 1 3 3 0 0
4 4 2 2 4 4 4 2
2.9
4 4 8 8 2 4 4 8 4 4 8 4 8 4 4
6.1 17.0 12.4 0.7 3.1 3.7 7.7 17.5 1.6 10.5 3.3 5.2 2.0 1.1 1.0 0.9 0.9 2.5
8
0.1
8 2 8 8 4 8 4 4 8
7.3 0.2
0 1 2 2
2.9
0
2.8 2.0 18.2 4.2 1.1 2.8 0.4 0.6
1 3 4 1 0 4 1
8
8 4
1996
0 3 0
0 2 1 0 3 1
0
0
6 4 9 10 7 12 10 6 10 8 12 1 2 11 0 1 3 2 3 9 11 4 8 2 12 5 4 10 12 14 12 7
1
0 1 1 1 0 0
0 1 1 0 1 1 1 2 2 1 2 2 1 1 2
0 2 1 2 2 1
0 0 1 1
0
0
14 13 2 6 7
0 1 0 2 2
28
d
M
I rel
h
k
1
32.38 32.84 33.19 33.96 34.02 34.35 35.27 35.31 35.53 35.84 35.91 36.01 36.36 36.49 36.66 36.77 36.94 37.12
2.765 2.727 2.699 2.640 2.635 2.610 2.545 2.542 2.527 2.505 2.501 2.494 2.471 2.463 2.452 2.444 2.433 2.422 2.387 2.379 2.370 2.340 2.336 2.334 2.304 2.283 2.260 2.259 2.240 2.238 2.228 2.184 2.182 2.168 2.163 2.161 2.151 2.150
8 4 8 4 8 2 4 4 8 8 4 8 8 4 2 4 8 4 4 8 8 4
23.7 0.1 0.2 1.3 1.8 2.0 1.3 0.6 1.3 7.5
2 2 2 3 2 3 4 2
11
1 2 2 0 2 1
37.69 37.81 37.96 38.48 38.55 38.58 39.09
39.47 39.89 39.91 40.25 40.31 40.49 41.34 41.37 41.67 41.77 41.79 42.01 42.02
4 8 4
4 8 8 4 2 8 8 2 4 4 4 8 4
0.9 0.4 1.8 2.3 1.0 0.5 1.0 1.2 0.1 1.0 0.2 2.4 0.8 0.4 3.1 1.4 0.7 1.1 0.2 0.5 0.1 1.8 2.2 1.1 0.1 3.0 0.5 0.1
0
2 2 3 2 1 4
1 10 2 8 4 3 8 4 12 9 5 8 6
0
9
4 4 1 2 4 4 0 3 1 3 2 4 0 2 4 4 1 3 1 2 4 2
0 1 14 6 2 3 16 10 9 12 13 4 10 7 8 5 10 11 15 8 6 14
0
28
d
M
Ire1
42.13 42.28 42.39 42.40
2.145 2.137 2.132 2.132 2.118 2.109 2.102
8 4 8 4 8 8 4
1.3 2.3 0.5 0.2 0.3 0.7 0.8 0.3 2.0 2.5 0.8 0.1 1.3 0.7 0.4 0.4 1.2 0.2 0.4 3.9 1.0 0.2 0.5 0.2 0.3 0.4 0.2 0.4 2.4 0.4 0.8 0.6 0.5 0.2 0.5 0.2 0.3 3.1
42.69
1 2 1 1 2 1
42.89 43.03 43.20 43.56 43.91 44.46 44.60 44.80 44.84 45.02 45.24 45.49 45.59 45.77 45.87 45.88 46.36 46.38 46.45 46.49 46.75 46.88 47.03 47.07 47.12 47.71 47.88 48.28 48.42 48.51 48.52 48.90
1
49.40
0 2 2 2 1 1 2 2
0 2 1 1 1 2 1 1 0 1 2
0 1 1 2 2
0
2.094
8
2.078 2.062 2.038 2.032 2.023 2.021 2.013 2.004 1.994 1.990 1.982 1.978 1.978 1.958 1.958 1.955 1.953 1.943 1.938 1.932 1.931 1.929 1.906 1.900 1.885 1.880 1.876 1.876 1.862 1.845
4 8 8 8 8 8 4 4 4 8 8 8 8 8 2 8 8 4 8 8 4 8 4 8 8 8 8 8 8 8
-CHI
Chiavennite
Zeolites
16:323-802,
1996
413
-CL0
Cloverite
COMPOSITION:
(Ga7ssP7ss031ss)
CRYSTAL
FmSc (No. 226) a = 51.7120 A b = 51.7120 A cy= 90” /I?= 90”
DATA:
REFERENCE:
k
1
20
d
M
2 2 2 4 4 4 4 6 6 6 4 6 6 8 6 8 6 8 8 8 8 6 10 10 8 8 8 12 12 10 9 11 12 8 10 10 11
0 2 2 0 2 2 4 0 2 2 4 4 4 0 4 2 6 2 4 6 6 6 4 4 8 8 8 0 2 6 7 5 4 8 8 8 7
0 0 2 0 0 2 0 0 0 2 4 0 2 0 4 0 0 2 4 0 2 6 0 2 0 2 4 0 0 4 5 3 0 6 0 2 1
3.42 4.83 5.92 6.84 7.65 8.38 9.68 10.26 10.82 11.35 11.86 12.34 12.81 13.70 14.12 14.12 14.53 14.53 16.80 17.15 17.49 17.82 18.48 18.80 19.42 19.72 20.61 20.61 20.90 21.18 21.39 21.39 21.74 22.01 22.01 22.28 22.48
25.856 18.283 14.928 12.928 11.563 10.556 9.141 8.619 8.176 7.796 7.464 7.171 6.910 6.464 6.271 6.271 6.094 6.094 5.278 5.171 5.071 4.976 4.801 4.721 4.571 4.501 4.309 4.309 4.251 4.194 4.154 4.154 4.088 4.038 4.038 3.990 3.954
6 12 8 6 24 24 12 6 24 24 8 24 48 6 24 24 12 24 24 24 48 8 24 48 12 24 24 6 24 48 48 48 24 24 24 48 48
Zeolites
16:323-602,
QF = quinuclidinium
M. Estermann, L. B. McCusker, Nature 352, 320-322 (1991).
h
414
4192QF;
I rel 100.0 15.7 11.8 8.6 1.2 5.2 18.4 15.3 0.4 1.2 13.7 3.0 1.4 1.0 1.5 2.9 0.4 0.6 0.2 0.3 0.7 0.4 1.3 0.1 0.6 0.4 3.7 0.2 0.1 1.2 0.1 0.5 0.4 0.7 1.3 0.3 0.3
1996
h
k
1
20
d
12 11 13 10 12 12 12 14 10 14 10 12 12 14 12 12 13 10 14 10 14 12 14 10 14 12 16 14 16 12 12 12 16 14 14 17 15
4 7 3 8 6 6 6 0 10 2 10 8 8 4 6 8 7 8 4 10 6 10 8 10 8 8 4 8 4 10 12 12 6 8 10 3 9
4 3 1 4 0 2 4 0 0 0 2 0 2 0 6 4 3 8 4 6 2 2 0 8 2 8 0 4 2 6 0 2 0 6 0 1 1
22.81 23.01 23.01 23.07 23.07 23.33 24.09 24.09 24.34 24.34 24.59 24.83 25.07 25.07 25.31 25.78 25.96 26.02 26.02 26.48 26.48 27.16 27.82 28.04 28.04 28.47 28.47 28.68 28.68 28.89 29.31 29.52 29.52 29.72 29.72 29.88 30.28
3.898 3.865 3.865 3.854 3.854 3.812 3.694 3.694 3.657 3.657 3.621 3.586 3.552 3.552 3.519 3.455 3.432 3.425 3.425 3.366 3.366 3.284 3.207 3.183 3.183 3.136 3.136 3.113 3.113 3.090 3.047 3.026 3.026 3.006 3.006 2.991 2.951
c = 51.7120 y = 90” Ch. Baerlocher,
M Ire1 24 48 48 48 24 48 48 6 12 24 24 24 48 24 24 48 48 24 24 24 48 48 24 24 48 24 24 48 48 48 12 24 24 48 24 48 48
0.2 0.4 0.3 0.1 0.2 0.2 0.1 0.6 0.4 0.1 0.7 0.8 0.2 0.3 1.7 0.1 0.1 0.3 0.8 0.2 0.4 0.2 0.3 0.5 0.2 0.9 0.4 2.5 0.2 0.2 0.4 0.1 0.3 0.2 0.3 0.2 0.1
fluoride
A A. Merrouche
h
k
16 14 15 17 12 16 18 14 12 15 12 15 15 16 16 16 13 15 16 14 16 15 15 15 14 16 14 16 16 14 16 16 14 14 16 16
6 10 9 5 12 8 0 12 10 11 12 9 11 8 10 10 11 11 10 14 10 11 13 13 12 12 14 12 10 12 10 14 12 14 16 16
1 4 4 3 3 6 2 0 0 10 1 8 7 3 6 0 2 9 5 4 0 6 7 1 3 8 2 4 4 8 10 10 2 12 12 12 14
and H. Kessler,
28
d
30.33 30.53 30.68 31.08 31.13 31.13 31.13 31.91 32.10 32.25 32.48 32.63 32.63 32.67 32.67 32.86 33.37 33.37 33.42 34.33 34.33 34.47 34.47 34.83 34.87 34.87 35.05 35.40 35.58 36.44 37.12 37.12 38.29 40.38 44.89 46.74
2.947 2.928 2.914 2.877 2.873 2.873 2.873 2.805 2.788 2.776 2.756 2.745 2.745 2.741 2.741 2.725 2.685 2.685 2.681 2.612 2.612 2.602 2.602 2.576 2.573 2.573 2.560 2.535 2.523 2.465 2.422 2.422 2.350 2.234 2.019 1.944
48 48 48 48 24 48 6 24 24 48 24 48 48 48 24 48 48 48 48 12 48 48 48 48 48 48 24 48 48 48 24 48 24 24 24 24
0.2 0.3 0.1 0.5 0.2 0.6 0.1 0.2 0.1 0.4 0.4 0.1 0.4 0.1 0.1 1.0 0.1 0.2 0.4 0.3 0.1 0.6 0.1 0.2 1.6 0.1 0.2 0.4 0.6 0.2 0.2 0.3 0.2 0.3 0.1 0.1
Cloverite
Zeolites
16:323-602,
1996
415
CON
UT-1
COMPOSITION:
si560112
CRYSTAL
Cl 2/m 1 (No. 12) unique axis b, cell choice 1 a = 22.6242 A b = 13.3503 A c = 12.3642 A ck = 90” ,8 = 68.913” y = 90”
DATA:
REFERENCE:
h
k
0 1 2 2 1 -1 -2 0 3 3 2 0 0 2 4 4 -3 4 -2 2 -2 0 1 4 5 4 2 5 5 4 1 3 0 4 3 -2 -3 6 -4 6 2 3 -5 5 -1
0 1
416
1 1 0
0 0 01 1 1 0 2 1 1 0 2 0 2 0 0 1 0 2 2 0 2 3 2 1 2 0 1 1 2 1 1 0 0 3 2 1 0 2 0 2 3 1 1 3
1 1 1 0 1 0 2 1 2 0 1 0 1 2 1 2 2 2 0 1 1 0 3 0 2 2 3 3 3 3 0 2 2 2 1 0 3 2 1 3 2
28 7.66 7.84 8.38 9.10 9.85 11.98 13.25 13.26 13.85 14.23 14.61 15.34 15.36 15.71 15.75 16.80 18.22 18.25 18.79 19.78 20.02 20.35 20.39 20.65 20.73 21.46 21.56 22.08 22.17 22.63 22.95 22.99 23.13 23.21 23.66 24.09 24.14 24.44 24.82 25.31 25.40 25.67 25.82 25.98 26.55
Zeolites
d 11.536 11.283 10.555 9.722 8.975 7.387 6.681 6.675 6.394 6.225 6.062 5.778 5.768 5.642 5.625 5.277 4.869 4.861 4.722 4.488 4.434 4.364 4.354 4.302 4.285 4.140 4.121 4.025 4.009 3.929 3.874 3.868 3.845 3.833 3.761 3.694 3.686 3.642 3.588 3.518 3.507 3.471 3.450 3.430 3.358
16:323-802,
R. F. Lobo and M. E. Davis, J. Am. Chem. Sot. 117, 3766-3779 M
I rel
h
k
1
20
d
M
IreI
2 4 2 2 4 4 2 2 4 4 2
40.5 100.0 3.3 23.4 0.8 1.3 8.0 2.9 0.7 2.2 1.8 1.0 1.4 0.2 1.7 1.7 0.3 0.7 0.2 1.4 0.1 0.4 10.8 0.2 0.2 2.7 0.6 8.1 0.9 0.1 2.0 3.5 5.0 7.2 0.2 0.3 1.7 2.0 0.6 0.9 1.2 0.3 0.9 0.2 0.4
-4 0 6 0 6 2 7 6 2 5 5 4 -4 -2 7 -2 2 6 -3 -3 4 5 4 8 -5 -1 5 4 -4 -1 8 -2 8 -7 -4 -1 7 0 4 7 3 4 8 6 3
0 4 0 4 2 4 1 2 0 3 3 0 2 4 1 2 4 2 3 1 4 1 4 0 3 3 3 4 0 1 0 4 0 1 4 5 1 4 4 3 5 0 2 4 5
2 0 3 1 2 1 1 0 4 0 2 4 2 1 0 3 2 3 2 3 1 4 0 2 1 3 3 2 3 4 3 2 0 1 1 1 4 3 3 0 0 5 0 0 2
26.68 26.71 27.52 27.83 27.91 28.27 28.56 28.68 29.01 29.16 29.23 29.47 29.91 29.93 30.39 30.55 30.58 30.67 30.78 30.98 31.16 31.35 31.72 31.81 32.13 32.18 32.26 32.54 33.41 33.52 33.57 33.61 33.97 33.99 34.14 35.10 35.11 35.62 35.67 35.97 35.97 36.46 36.62 37.13 37.38
3.341 3.338 3.241 3.206 3.197 3.157 3.125 3.112 3.078 3.063 3.056 3.031 2.987 2.986 2.942 2.926 2.924 2.915 2.905 2.886 2.870 2.853 2.821 2.813 2.785 2.782 2.775 2.751 2.682 2.674 2.669 2.667 2.639 2.637 2.626 2.557 2.556 2.521 2.517 2.496 2.496 2.464 2.454 2.421 2.406
2 2 2 4 4 4 4 4 2 4 4 2 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 2 4 2 4 2 4 4 4 4 4 4 4 4 2 4 4 4
2.0 6.6 0.2 0.5 1.1 0.9 0.6 1.4 1.7 0.9 1.1 0.3 0.3 1.2 0.1 0.9 0.2 0.5 1.1 0.2 0.7 0.3 0.7 0.2 0.4 0.4 0.4 0.4 1.0 0.3 0.8 0.1 0.3 0.3 0.3 0.1 0.6 0.8 0.7 0.1 0.5 0.3 0.4 1.3 0.3
2
4 4 4 2 2 4 4 4 2 4 2 4 4 4 4 4
1996
(1994). h
k
-5 9 5 -1 -4 1 -3 -1 9 2 -6 7 1 0 6 -3 10 -8 4 8 4 7 11 9 -2 3 5 7 10 7 -1 -5 -3 7 10 -9 11 1 -7 -8 -10 10 11 9 -4
1 1 1 5 4 1 1 3 1 4 4 3 5 6 2 5 2 0 0 2 6 5 1 1 4 1 1 3 2 5 3 5 1 1 0 1 1 7 5 0 2 2 3 3 6
1 3 3 5 2 2 5 4 4 0 4 1 4 3 0 5 2 2 2 6 5 0 2 2 5 4 6 6 5 0 0 5 2 5 6 5 2 0 0 1 3 1 5 2 5 2
28
d
M
Ire1
37.48 37.65 37.70 38.01 38.11 38.28 38.35 38.71 38.99 39.84 39.89 40.12 40.47 40.54 40.59 41.19 42.17 42.49 43.94 43.96 44.17 44.27 44.59 44.60 44.63 44.68 44.72 44.85 45.04 45.37 45.85 45.91 46.10 46.48 46.72 47.29 47.89 47.89 48.01 48.35 48.51 48.78 48.79 48.80 49.20
2.400 2.389 2.386 2.367 2.361 2.351 2.347 2.326 2.310 2.263 2.260 2.248 2.229 2.225 2.223 2.191 2.143 2.127 2.061 2.060 2.050 2.046 2.032 2.032 2.030 2.028 2.026 2.021 2.013 1.999 1.979 1.977 1.969 1.954 1.944 1.922 1.899 1.899 1.895 1.883 1.877 1.867 1.866 1.866 1.852
4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 2 4 4 4 4 4
0.2 0.4 0.2 0.2 0.3 0.1 0.2 0.1 0.2 0.2 0.2 0.1 0.2 0.7 0.2 0.1 0.1 0.3 1.3 0.1 0.6 0.2 0.1 0.2 0.1 0.1 0.2 0.1 0.2 0.3 0.1 0.1 0.3 0.1 0.2 0.4 0.2 0.4 0.1 0.1 0.2 0.2 0.2 0.2 0.1
CON
CIT-1
Zeolites
16:323-602,
1996
417
DAC
Dachiardite
COMPOSITION:
(Nao.42Ko.92Cso.llCal.54Sro.lzBao.ol) Elba, Italy.
CRYSTAL
Cl 2/m 1 (No. a = 18.676 A a = 90”
DATA:
REFERENCE:
hkl 0 2 1 -1 1 -2
0 -3 3 -4 4 -1 -4 -3 3 2 1 0 4 0 2 -2 -2 -5 0 5 -4 -5 -1 -3 3 -2 0 -6 6 -4 4 4
0
1
0 0 1 1 1
0 1 1 2 2
20
d
M
9.07
9.752 8.887 6.924 5.994 5.352
2 2 4 4 4 2 2 4 4 2 2 4 2 4 4 2 4 2 2 4 4 2 4
9.95 12.78 14.78 16.56 17.86 18.19
0 4.965 0 4.876 1 1 19.05 4.659 1 0 0 1
0 1 1
0 1 2 0 2 2
0 2 1 0 1
0 1 1 1
1 2 2
0 1 0 2 2 2 1 2 2
0 1 1
0 3 1 1 3 0 3 2 3 3 2 2 2 2
0 0 0 2 1 0 2 2
418
0
G. Vezzalini, Z. Kristallogr.
19.07 19.24 19.98 20.99 22.56 23.02 23.08 23.35 23.54 23.67 24.43 25.39 25.73 26.14 26.27 26.69 27.44 27.76 28.62 28.72
28.91 29.48
29.56 29.81 30.02 30.11 30.17 30.68 31.11 31.16
Zeolites
4.654 4.613 4.444 4.232
3.941 3.863 3.854 3.810 3.780
3.759 3.644 3.507 3.462
3.409 3.393 3.340 3.251 3.214 3.119 3.109 3.088 3.029 3.022 2.997
16:323-602,
3.8
69.6 50.3
25.9 9.0 29.9 45.5 2.0 2.3 5.1 2.6 3.4 32.1 8.7 1.7 38.7 12.6 7.8 8.6
9.0 100.0 22.2
9.2 16.1 3.8 53.5 4.6 1.5 6.7 4.5 2.5 1.3
2.977 2.968 2.963 2.914 2.874 2.870
I El
1.8
4
24.3 1.5 0.2 10.7 20.4
1996
(Sil8.96A14.8sFeo.oz048).12.56H20
12) unique axis b, cell choice I b = 7.518 A c = 10.246 ii /l? = 107.87” y = 90”
166, 63-71 (1984).
hkl
I El
hkl
5
0.3 1.3 0.2 11.6 13.4
5
26 d M 1 1 31.64 2.828 4 1 1 3 31.78 2.816 4 2 0 3 32.09 2.789 2 -4 2 2 32.93 2.720 4 2 2 2 33.49 2.676 4 -6 0 3 34.12 2.628 2 4 -2 -2 -7 -4 1 -7
0 0 -1 -3 3 -4 5 -1 1 -6 6 4 -7 -5 -6
2
0 2 1
0 3
1 2
0 3 1 1 2 1 1 3 2 2
1 4 3 1 4 0 2 3 4 1 4 3 3 2 4 1 2
0
0 3 1 3 1 4 0 4 1 1 4
7 -3 3 2 1 -8 6 -2 -4
1 3 3
0 3
0 2 2 2
1 2 1 4 2 3 1 4 4
34.27 35.05 35.55 35.75 36.18 36.20 36.53 36.54 36.87 37.00 37.28 37.37 37.47 37.55 37.62 37.79 38.65 38.70
2.616 2.560 2.525 2.512 2.483 2.482 2.460
2.459 2.438 2.430 2.412 2.406 2.400 2.395 2.391 2.381
2.329 2.327 2.308 2.276
39.03 39.60 39.73 2.269 40.04 40.68 41.18 41.22 41.26 41.30 41.53 41.60 42.04 42.73
43.69
2.252 2.218 2.192 2.190 2.188 2.186 2.174 2.171 2.149 2.116 2.072
4 2 4 4 2 4 4 4 2 4 4 4 4 4 4 4 4 4 2 4 4 2 4 4 4 4 2 4 2 4 4 4
1.8 1.0 11.0 4.9 1.4 2.7 1.2 0.6 6.8 0.6 1.3 1.4 0.8 4.8 3.8 1.2 0.5 0.2 0.7 4.7 3.8 0.3 0.6 0.7 0.7
0.8 0.3 1.7
1.1 0.3 0.5 0.2 1.4
0
3 2
0
-2 8 -7 -4 5 -5 -1 -3 3
1 3 3 3 3
-9
1
-9 -3 3 -8 -8 7 -1 5 1 -6 6 -6 -5 -9 8 9 4 -5 2
1 1 1 0 2 1 1 3 3 2 2
0 -10 -10 0 2 -2 -7
0 1
0
0 4 5 1 4 5 3 2 3 3 2 2 1 5 4 4 2 2 5 1 3
4 2
0 5 1 5 1 2 1
0 3 2 4 0 0 4 4 4 3
3
0 0 4 3 4
0 2 1
28
d
M
44.22 44.28
2.048 2.045 2.041 2.035 2.033 2.030 2.022 2.020 2.015
4 4 2 2 4 2 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 2 4 4 4 4 2 4 4
44.39 44.51 44.56 44.64 44.82 44.86 45.00
45.39 45.44 45.57 45.60 45.91 46.00 46.06 46.17 46.71 46.86 46.91 47.01 47.04 47.16 47.29 47.34 47.52 47.54 47.60 47.74 48.14 48.15 48.43 48.85 49.20
1 49.38 0 1 1
49.57 49.88 49.96
1.998 1.996 1.991 1.989 1.977 1.973 1.971 1.966 1.945 1.939 1.937
1.933 1.932 1.927 1.922 1.920 1.914 1.913
1.910 1.905 1.890 1.890 1.879 1.864 1.852 1.846 1.839 1.828 1.826
2 2 2 4 4 4 4
I El 0.8 1.2 4.6 0.2 0.2 0.1 0.8 3.8 0.4 0.4 3.4
1.0 1.3 0.2 1.5 1.6 2.6 1.5
0.8 1.1 0.3 1.9 1.9 0.5
0.1 0.7 0.4
1.1 1.5 0.2 2.5 11.9 1.0 1.8 0.4 0.4 0.2 2.8
DAC
Dachiardite -0
m
-s
-z
m b s
cv
-s
-0
r
-0
Zeolites
16:323-802,
1996
419
Na, 1-aminoadamantane
00 101 012 10 11 00 015 11 02 20 10 02 11 20 018 00 21 12 02 2 30 12 20 1 03 30 11 217 22 03 30 0 12 0 22 13 312 13 2 315 1 1 2 30 40
420
1 3
4 0 6 3 1 2 7 4 6 5 9 1 2 7 14
0
0 2
0 1 0 1
0 5 8 10 3 3 9 0 6 6 12 8 10 3 1 4 11 12 13 10 9 1
Zeolites
3R
COMPOSITION:
(Si1200240).9N2.6C10H17N
CRYSTAL
RSm (No. 166) hexagonal setting a = 13.860 A h = 13.860 A c = 40.891 A p = 90” y = 120° cy = 90”
DATA:
REFERENCE:
hk
Deca-Dodecasil
d
26 6.48 7.68 8.54 11.37 12.77 12.99 13.10 14.34 14.92 15.39 16.88 17.13 18.26 18.34 18.87 19.54 19.69 20.05 21.22 21.43 22.22 22.41 22.85 22.98 23.17 23.17 23.41 24.85 25.71 25.82 25.82 26.15 26.26 26.37 26.54 26.87 27.14 28.19 28.24 28.96 29.20 29.35 29.41 29.75 29.85
13.630 11.517 10.351 7.783 6.930 6.815 6.759 6.177 5.938 5.759 5.253 5.176 4.859 4.839 4.703 4.543 4.509 4.429 4.186 4.147 4.001 3.967 3.891 3.871 3.839 3.839 3.800 3.583 3.465 3.450 3.450 3.408 3.393 3.379 3.358 3.318 3.286 3.165 3.160 3.083 3.058 3.043 3.037 3.003 2.993
16:323-802,
H. Gies, Z Kristallogr.
Al
I i-d
hk
2 6 6 6 6 2 6 12 6 6 6 6 12 6 6 2 12 12 6 12 6 12 6 6 6 6 12 12 6 6 6 2 12 6 12 12 12 12 6 12 12 6 12 6 6
23.5 40.6 12.9 21.1 18.2 18.0 0.6 17.5 1.1 58.6 7.5 100.0 26.1 19.9 48.7 5.0 46.6 3.1 5.1 27.4 10.0 9.4 2.0 7.5 9.4 9.9 14.6 9.8 12.5 10.6 2.7 17.4 43.4 8.9 53.9 42.1 2.4 1.4 13.8 8.7 18.9 0.9 11.7 11.3 8.4
0 1 4 1 0 0 2 3 4 3 2 2 0 3 2 4 1 3 1 4 2 2 4 0 5 0 0 3 5 1 3 3 0 4 2 4 0 3 2 0 2 2 5 4 1
1996
175, 93-104 (1986).
120 4 3 0 2 1 4 2 2 0 2 0 3 3 0 1 1 0 2 4 1 2 3 0 5 0 2 4 3 0 3 2 3 0 1 4 2 3 0 0 5 4 3 0 0 1
2 7 4 11 14 5 9 1 7 4 14 5 12 12 13 3 16 7 6 6 12 8 10 1 2 16 11 0 5 13 10 3 18 9 1 2 15 15 17 7 4 11 8 13 18
d 30.10 30.92 31.06 31.10 31.52 31.76 32.50 32.59 33.57 33.71 34.14 34.36 34.57 34.57 34.70 34.88 35.93 36.06 36.76 36.76 37.00 37.08 37.16 37.53 37.73 38.28 38.56 38.99 39.11 39.41 39.45 39.57 39.67 39.72 39.80 39.99 40.02 40.02 40.40 40.63 40.74 40.78 41.56 41.59 41.85
2.969 2.892 2.879 2.875 2.838 2.817 2.755 2.747 2.669 2.659 2.626 2.610 2.594 2.594 2.585 2.572 2.500 2.491 2.445 2.445 2.430 2.424 2.419 2.397 2.384 2.351 2.335 2.310 2.303 2.286 2.284 2.277 2.272 2.269 2.265 2.255 2.253 2.253 2.233 2.220 2.214 2.213 2.173 2.171 2.159
Iv
Ire1
hk
6 12 6 12 6 6 12 12 6 12 6 12 6 6 12 12 6 12 12 12 12 12 6 6 6 6 6 6 6 12 12 12 2 12 12 12 6 6 6 6 12 12 6 6 12
2.0 2.1 3.2 0.9 2.4 0.7 0.3 1.9 4.5 0.3 1.0 0.2 0.4 0.5 2.5 0.6 2.0 2.6 6.7 0.2 1.4 9.2 0.3 4.4 0.5 3.4 4.4 3.9 9.8 0.1 1.6 2.1 0.5 1.9 0.3 0.7 2.2 3.0 2.8 1.7 0.3 3.2 0.4 0.1 2.4
51 15 1 1 24 514 0 1 4 3 0 33 51 0 15 2 06 60 0 3 43 3 0 4 43 4 52 06 60 34 3 25 52 1 4 0 1 1 25 52 34 2 06 60 16
2 0
4 4 1 2 5
1 4
3 0 1 0 0 2
3
4 1 4 5 2
4
1
28
d
1 2 17 19 7
41.97 42.15 42.54 42.68 42.76 42.87 43.22 43.58 43.58 43.69 43.72 43.97 44.81 44.97 45.67 45.74 45.84 45.84 45.94 45.94 46.05 46.58 46.64 46.68 46.89 46.92 47.29 47.36 47.36 47.39 47.55 47.79 47.79 48.18 48.18 48.50 48.83 48.86 49.26 49.26 49.51 49.54 49.80 49.80 49.87
2.153 2.144 2.125 2.118 2.114 2.109 2.093 2.077 2.077 2.072 2.070 2.059 2.023 2.016 1.986 1.984 1.979 1.979 1.976 1.976 1.971 1.950 1.947 1.946 1.938 1.936 1.922 1.919 1.919 1.918 1.912 1.903 1.903 1.889 1.889 1.877 1.865 1.864 1.850 1.850 1.841 1.840 1.831 1.831 1.829
13 12 12 13 10 9 7 20 8 10 3 3 18 18 1 17 21 16 4 11 0 6 6 5 12 3 3 15 15 17 11 20 6 6 8 13 9 9 1
iv
Ire1
12 12 12 6 12 12 6 12 12 12 6 12 12 6 12 12 6 6 6 6 12 12 2 6 12 12 12 6 6 12 12 12 12 12 12 6 12 12 12 12 12 12 6 6 12
0.8 0.2 0.4 0.1 1.5 0.2 0.2 0.8 0.8 0.3 0.1 0.6 0.8 0.5 0.4 1.5 1.4 0.7 2.6 3.0 3.3 1.5 2.1 1.5 1.0 3.1 0.5 0.6 2.7 0.1 0.6 0.3 0.1 0.3 0.1 0.6 0.3 1.1 1.2 0.2 1.0 4.0 2.0 0.1 2.0
Ng, 1-aminoadamantane
Deca-Dodecasil
3R
Zeolites
16:323-802,
1996
421
Decamethonium
COMPOSITION:
(Mg29A1103P1320264).15.8C16H38N2.s0.5Hz0
CRYSTAL
PG/mmm (No. 191) a = 22.351 A b = 22.351 A
DATA:
cy = 90” REFERENCE:
k 1 0 0 1 1 0 0 1 0 1
/3 = 90”
20
d
M
I rel
h
k
1 0 1 2 1 2 1 2 2 1 3 3 2 2 2 3 0 2 3 1 3 2 1 4 2 4 3 2 2 3 0 1 4 4 1 4 2 4 2 5 3 3
4.07 4.57 6.12 7.91 8.15 8.90 9.14 9.35 10.01 11.37 12.10 12.26 13.07 13.72 14.32 14.60 15.30 15.86 15.98 16.34 16.38 16.51 16.98 17.01 17.24 18.18 18.33 18.76 18.79 19.99 20.08 20.38 20.41 20.47 20.98 21.03 21.43 21.98 22.10 22.46 22.59 22.85 22.97 23.31 23.51
21.693 19.356 14.443 11.175 10.846 9.935 9.678 9.462 8.838 7.783 7.316 7.221 6.774 6.452 6.184 6.065 5.793 5.588 5.545 5.423 5.411 5.368 5.222 5.211 5.143 4.879 4.839 4.731 4.723 4.441 4.422 4.357 4.350 4.339 4.234 4.224 4.146 4.045 4.022 3.959 3.936 3.892 3.871 3.815 3.784
2 6 12 6 2 12 6 12 12 12 12 12 12 6 12 24 12 6 12 2 12 12 12 24 24 12 6 12 12 12 12 24 24 2 12 12 24 12 12 12 24 12 6 24 24
6.3 39.6 18.5 100.0 39.2 4.2 0.2 0.2 20.1 1.9 4.5 2.6 2.2 0.7 1.6 0.4 5.0 0.8 0.3 0.9 4.0 0.6 2.8 0.8 0.3 0.2 1.5 0.5 0.2 0.1 0.2 8.1 1.2 0.6 0.4 12.3 1.8 0.1 1.8 6.3 2.0 0.3 3.4 2.1 0.1
2 3 3 4 4 5 4 4 3 3 5 2 2 3 5 4 2 6 6 5 4 r
1 3 3 2 1 0 0 2 3 2 1 2 0 1 1 2 1 0 0 0 3 1 2 2 0 0 3 2 2 1 1 2 1 0 0 1 1 3 1 2 2 2 4 0 0
422
0 2 1 0 2 1 2 0 2 3 0 1 2 3 0 2 4 1 0 4 1 3 4 0 4 1 0 3 4 1 5 5 0 1 5 3 5 2 4 0 4 3
Zeolites
16:323-802,
c = 21.693 A 3’ = 120”
P. A. Wright, R. H. Jones, S. Natarajan, R. G. Bell, J. Chen, M. B. Hursthouse and J. M. Thomas. J. Chem. Sot. Chem. Comm. (1993).
h
1 0 1 0 0 0 1 1 0 0 0 0 1 0 2 0 0 2 1 0 1 1 1 0 0 0 2 2 1 2 0 0 1 1 1 0 0 1 2 0 1 2
DAF-1
1996
; 5 0 6 3 5 4 3 1 5 6 2 6 5 6 4 2 5 3 4 4 3 7
1 5 0 1 0 3 2 4 1 2 4 1 5 6 5 2 3 6 0 1 4 1 3 5 0 7 2 4 1 4 6 7 2 0 7 3 4 1 3 7 3 6 5 0 7 1
26
d
23.84 23.89 24.24 24.33 24.40 24.41 24.66 24.68 25.28 25.93 25.96 26.00 26.31 26.41 26.93 27.32 27.52 27.65 27.96 28.32 28.35 28.49 28.77 28.80 28.81 28.87 29.08 29.10 29.45 29.79 29.92 29.98 30.28 30.28 30.34 30.54 30.56 30.70 31.35 31.40 31.92 32.00 32.03 32.04 32.64
3.732 3.725 3.671 3.658 3.647 3.646 3.611 3.607 3.523 3.436 3.433 3.427 3.387 3.374 3.311 3.264 3.241 3.226 3.191 3.151 3.149 3.133 3.103 3.099 3.099 3.092 3.071 3.068 3.033 2.999 2.986 2.980 2.952 2.951 2.946 2.927 2.925 2.913 2.854 2.849 2.804 2.797 2.794 2.794 2.743
AJ Irei
hk
24 6 12 12 24 12 12 24 12 24 24 12 12 24 24 2-I 24 6 12 12 24 24 24 12 2 12 12 24 24 24 12 24 12 12 12 24 24 24 24 24 24 24 6 12 12
6 44 52 10 62 317 5 62 20 62 61 60 53 70 42 43 710 71 21 32 417 712 70 61 63 63 80 713 62 80 43 72 70 32 63 55 50 53 70 33 73 64 1 90 5
5.6 3.5 0.2 0.2 0.1 0.2 1.6 1.2 0.1 1.9 0.3 0.2 0.5 0.4 0.5 1.1 1.3 4.0 0.2 0.3 0.5 1.4 0.9 1.3 1.2 0.2 0.1 1.1 1.7 0.2 0.3 0.3 0.9 0.7 0.3 0.7 0.4 1.4 0.4 0.1 0.4 3.6 1.2 0.2 0.2
1 1
3 2 4 8 0
3
2 1 8 2 4 5 3 3 6 5 1 8 7
4 5 0 1 0
0 1
4 1 6 0 5 8 3 0 8 6 6 8 0 2 10 0 8
20
d
M
Irel
32.77 33.11 33.29 33.37 33.38 33.38 33.44 33.64 34.34 34.42 34.60 34.65 34.73 34.73 34.89 34.97 35.00 35.25 35.30 35.32 35.94 35.99 36.47 36.83 36.86 37.10 37.16 37.21 37.38 37.40 37.66 38.05 38.61 38.91 38.98 40.35 40.62 41.09 41.09 41.17 41.46 41.51 41.90 42.01 42.27
2.733 2.706 2.691 2.685 2.684 2.684 2.680 2.664 2.611 2.606 2.593 2.589 2.583 2.583 2.571 2.566 2.564 2.546 2.543 2.541 2.499 2.495 2.464 2.441 2.439 2.423 2.420 2.416 2.406 2.405 2.389 2.365 2.332 2.314 2.311 2.235 2.221 2.196 2.196 2.192 2.178 2.175 2.156 2.151 2.138
24 12 24 12 12 24 24 24 12 24 24 12 24 12 24 24 12 24 24 24 24 24 12 24 12 24 6 24 24 12 24 12 12 24 24 6 12 24 12 12 12 24 12 6 24
0.4 0.3 0.2 0.5 0.2 0.1 0.2 0.2 0.6 0.2 0.3 0.1 0.8 1.0 0.5 0.5 0.2 0.2 0.1 0.2 0.3 0.1 0.6 0.8 0.5 0.1 0.2 0.3 1.1 0.2 0.1 0.4 0.2 0.3 0.2 0.4 0.1 0.1 0.2 0.3 0.2 0.1 0.1 0.5 0.3
Decamethonium
DAF-1
-5:
-s
:
-3 -0m
-z
-0F
-0
Zeolites
16:323-802,
1996
423
DOH
Nz, Piperidine
COMPOSITION:
(Si34068).3Nz.2Nz.C5HloNH
CRYSTAL
PG/mmm (No. a = 13.783 A cu = 90”
DATA:
REFERENCE:
h k 1 1 0 0 0 1 1 2 1 0 2 1 2 1 2 2 3 3 0 1 2 2 3 2 1 3 3 2 4
424
0 0 1 0 1 0 0 0 1 1 1 0 0 0 0 0 1 2 1 2 1 0 1 0 0
Zeolites
1 1 0 0 1 2 1 2 0 2 1 2 0 1 3 3 2 0 0 1 3 2 1 3 0
Dodecasil
28 7.41 7.90 10.84 12.85 14.84 15.10 15.84 16.84 17.51 19.68 20.45 21.23 21.77 22.34 23.73 23.86 25.01 25.36 25.86 26.93 27.08 27.18 27.51 28.11 28.21 29.94
16:323-602,
d 11.936 11.190 8.164 6.891 5.968 5.868 5.595 5.266 5.066 4.511 4.344 4.184 4.082 3.979 3.749 3.730 3.560 3.512 3.446 3.311 3.293 3.280 3.243 3.175 3.163 2.984
1996
1H
191) b = 13.783 A p = 90”
c = 11.190 A
y = 120”
H. Gerke and H. Gies, Z. Kristallogr. 166, 11-22 (1984).
AI
Ire1
6 2 12 6 6 12 2 12 12 12 12 24 12 6 12 2 12 24 6 12 12 12 12 24 12 6
35.6 6.7 13.5 15.3 13.9 35.5 15.7 100.0 33.6 16.3 0.4 10.9 3.1 8.1 33.2 6.4 5.8 48.4 18.7 24.6 15.9 20.4 0.3 1.2 15.3 1.7
hkl 2 2 3 3 1 3 3 4 1 4 2 2 3 5 2 5 4 3 3 4 3 0 4 3 5 2
2 1 1 2 0 0 2 0 1 1 0 2 2 0 1 0 0 3 0 2 3 0 2 2 0 2
2 3 2 0 4 3 1 2 4 1 4 3 2 0 4 1 3 0 4 0 1 5 1 3 2 4
26’
d
30.47 31.11 31.40 32.70 32.88 32.91 33.69 34.05 34.60 35.38 35.44 35.47 36.53 37.68 37.84 38.56 38.64 39.22 39.37 39.97 40.07 40.30 40.81 40.88 41.11 41.58
2.934 2.875 2.849 2.738 2.724 2.721 2.660 2.633 2.592 2.537 2.533 2.531 2.460 2.387 2.378 2.335 2.330 2.297 2.288 2.256 2.250 2.238 2.211 2.207 2.196 2.172
kf
Ire1
12 24 24 12 12 12 24 12 12 23 12 12 24 6 24 12 12 6 12 12 12 2 24 24 12 12
0.1 2.7 4.9 1.3 2.2 0.8 0.1 1.3 0.1 2.6 4.6 1.0 9.0 6.5 1.7 2.5 1.7 4.5 7.8 0.7 0.3 0.4 0.9 4.4 1.1 1.0
hkl 5 3 4 1 2 4 4 5 2 5 6 4 6 3 3 3 4 4 5 4 5 6 0 3 4
1 1 1 1 0 2 0 0 1 1 0 3 0 2 3 0 3 2 2 1 2 0 0 1 3
0 4 3 5 5 2 4 3 5 2 0 0 1 4 3 5 1 3 0 4 1 2 6 5 2
20
d
42.15 42.30 42.32 42.47 43.17 43.24 44.39 45.09 45.23 45.30 45.60 46.26 46.35 46.40 46.42 46.56 47.01 47.08 47.57 47.71 48.31 48.57 48.83 49.14 49.20
2.144 2.137 2.136 2.129 2.096 2.092 2.041 2.011 2.005 2.002 1.989 1.962 1.959 1.957 1.956 1.951 1.933 1.930 1.911 1.906 1.884 1.874 1.865 1.854 1.852
A.4 IreI 12 24 24 12 12 24 12 12 24 24 6 12 12 24 12 12 24 24 12 24 24 12 2 24 24
0.1 0.1 0.1 0.8 0.1 0.3 0.5 0.1 0.1 0.2 0.3 1.0 0.6 0.5 0.8 1.3 0.2 3.9 0.1 0.2 0.3 2.9 1.3 0.6 0.5
N2, Piperidine
Dodecasil IH
J
Zeolites
16:323-802,
1996
425
EAB
Bell bergite
COMPOSITION:
CRYSTAL
DATA:
PCis,‘mmc (No. 194) a = 13.244 A b = 13.244 h cl = 90” p = 90”
REFERENCE:
h
k
1
26’
1 1 0 1 1 2 2 1 1 2 2 2 0 3 2
0 0 0 1 0 0 0 1 0 0 1 1 0 0
0 1 2 0 2 0 1 2 3 2 0
7.71 9.49 11.07
4 0
12
10
3
1
4
0
2
114
2 2 2 3 3 1 2 3 2 4 4 2
426
1 3 2 0 0 4 11
0 0 2 1
3 5 2 2
14
0
0
0
1
0
5
Zeolites
13.37 13.50 15.45 16.42 17.39 18.36 19.05
20.49 21.23 22.24 23.27 23.34 23.57 25.83 26.04 26.50 26.93 27.19 28.61 28.74 28.99 29.19 30.24 30.42 31.19 31.70 32.05
16:323-802,
d 11.470 9.320
I rel
hkl
6 12
16.4 42.6 5.0 0.6 100.0 2.5 13.6 1.0 10.5 8.0 0.3 38.6 8.0 78.2 23.8 59.8 5.1 0.4 0.5 1.1 1.0 17.4 1.0 4.5 0.4 13.4 21.1 0.6 35.0 6.5
3 3 4 0 3 3 1 2 2 4 4 3 4 1 3 2 4 3 4 2 3
2 6 12 6 12
5.100
12
4.833 4.660 4.335 4.184 3.997 3.823 3.811 3.774 3.449 3.422 3.363 3.311 3.279 3.120 3.107 3.080 3.059 2.956 2.939 2.867 2.822 2.793
12 12 12 24 2 6 24 12 12 12 24 6 12 24 12 12 12 24 24 6 12 12
1996
B. Riidinger, E. Tillmanns and G. Hentschel, Mineralogy and Petrology 48, 147-152 (1993).
M
7.994 6.622 6.558 5.735 5.398
c = 15.988 h y = 120”
28 0 1 0 0 2 2 0 1 2 0 1 1 1 1 0 0 1 2 0 1 1
4 32.40 3 32.79 2 33.19 6 33.63 0 34.07 1 34.54 6 34.56 5 34.86 4 35.20 3 35.55 0 35.88 4 36.08 1 36.33 6 36.34 5 36.64 6 37.21 2 37.66 3 38.14 4 38.64 6 39.70 5 39.98
d
df
2.763 2.732 2.699 2.665 2.631 2.596 2.596 2.573 2.550 2.525 2.503 2.489 2.473 2.472 2.453 2.416 2.389 2.359 2.330 2.270 2.255
12 24 12 2 12 24 12 24 12 12 12 24 24 12 12 12 24 24 12 24 24
1
0
7
40.26
2.240
12
3 5 3 3 4 4 4 3
3 0 2 0 2 2 0 3
0 2 4 6 0 1 5 2
40.88 40.93 41.07 41.30 41.67 42.07 42.34 42.48
2.207 2.205
6 12
2.198
24
2.186 2.168 2.148 2.135 2.128
12 12 24 12 12
Ire, 3.0 0.3 20.1 6.3 0.6 1.4 3.8 27.6 2.8 0.2 19.1 17.7 3.8 0.6 5.9 1.2 1.3 2.7 2.4 7.0 0.9 0.4 34.8 0.3 4.6 10.2 0.6 1.1 1.3 1.1
hkl 2 4 5 5 5 3 3 2 4 0 5 5 1 3 4 3 1 6 4 6 4 3 6 5 4 5 5 4
0
7
20 42.61
1
4
42.62
0 1 1 1 2 1 2 0 1 0 0 0 0 3 1 0 2 0 3 2 0 2 3 1 2 1
3 42.92 0 43.95 1 44.33 6 44.34 5 44.59 7 44.85 3 45.16 8 45.38 2 45.47 4 45.59 8 46.10 7 46.30 6 46.52 4 47.03 8 47.52 0 47.57 4 47.73 1 47.93 1 48.62 6 48.63 2 48.99 0 49.64 2 49.68 4 49.80 1 49.99 6 49.99
d 2.122
h!f 12
IreI 0.1
2.121
24
4.1
2.107 2.060 2.043 2.043 2.032 2.021 2.008 1.998 1.995 1.990 1.969 1.961 1.952 1.932 1.913 1.912 1.905 1.898 1.873 1.872 1.859 1.837 1.835 1.831 1.825 1.824
12 12 24 24 24 24 24 2 24 12 12 12 12 12 12 6 24 12 24 24 12 12 24 24 24 24
0.3 0.7 0.3 0.4 3.3 0.5 0.5 7.4 1.5 4.6 1.1 0.5 3.2 2.1 0.2 0.2 1.7 0.2 1.5 2.6 0.5 0.4 5.7 0.2 0.6 13.2
EAB
Bell bergite
I”“““‘I”“““‘I”“““‘I”“““‘l”“““~I””””~I””””’l’~’~‘~~“l’~~~“”’l’~~~‘~~‘~ 0 Q) $
s: r
E
%
E
s
3
z
0 r
Zeolites
0
16:323-802,
1996
427
EAB
(Na, tetramethylammonium)-E
COMPOSITION:
Nas.l(Sizs.+419.4072).2.2(CH3)4N.25H20
CRYSTAL
Pfiy/mmc (No. a = 13.28 w Q = 90”
DATA:
REFERENCE:
hkl 1 1 0 1 1 2 2 1 1 2 2 2 3 2 0 2 3 1 3 2 2 1 3 2 3 3 2 1 4
428
29 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 2 1 1 1 0 1 0 2 0 0
Zeolites
0 1 2 0 2 0 1 2 3 2 0 1 0 3 4 2 1 4 2 0 3 4 0 4 1 3 2 5 0
7.69 9.64 11.64 13.33 13.96 15.41 16.48 17.73 19.13 19.35 20.43 21.26 23.20 23.39 23.39 23.57 23.94 24.66 26.03 26.85 27.02 27.02 27.97 28.13 28.59 29.20 29.35 30.39 31.10
16:323-602,
d 11.501 9.174 7.605 6.640 6.344 5.750 5.379 5.002 4.639 4.587 4.347 4.180 3.834 3.803 3.803 3.774 3.717 3.610 3.423 3.320 3.300 3.300 3.190 3.172 3.122 3.058 3.043 2.941 2.875
1996
194) b = 13.28 A p = 90”
c = 15.21 A y = 120”
W. M. Meier and M. Groner, J. Solid State Chem. 37, 204-218 (1981).
M
I rel
6 12 2 6 12 6 12 12 12 12 12 24 6 12 2 24 12 12 12 6 24 12 12 12 24 12 12 12 6
2.5 64.2 13.0 46.9 15.4 0.7 12.9 0.6 1.9 41.0 4.8 57.3 28.4 6.4 5.6 100.0 2.7 61.3 1.2 5.4 15.5 3.5 1.7 6.5 1.7 2.7 3.6 10.2 4.7
hkl 2 4 3 3 4 2 3 3 4 4 2 3 2 1 3 4 1 3 5 4 5 4 3 5 3 2 4 4 1
1 0 1 0 0 0 2 2 1 0 2 2 1 0 1 1 1 2 0 0 0 1 3 0 1 1 2 2 0
4 1 3 4 2 5 0 1 0 3 4 2 5 6 4 2 6 3 0 4 1 3 0 2 5 6 0 1 7
28
d
M
Ire1
hkl
31.25 31.67 33.18 33.18 33.31 33.32 33.98 34.50 35.78 35.91 35.91 36.03 36.04 36.29 36.78 37.75 37.99 38.46 39.16 39.28 39.63 40.09 40.77 40.99 41.00 41.22 41.55 41.99 42.33
2.862 2.825 2.700 2.700 2.689 2.689 2.639 2.600 2.510 2.501 2.501 2.493 2.492 2.476 2.444 2.383 2.368 2.340 2.300 2.293 2.274 2.249 2.213 2.202 2.201 2.190 2.173 2.152 2.135
24 12 24 12 12 12 12 24 12 12 12 24 24 12 24 24 12 24 6 12 12 24 6 12 24 24 12 24 12
35.8 56.3 0.1 1.6 21.8 0.9 0.9 8.4 12.2 2.6 3.5 3.2 3.3 4.8 1.7 0.7 0.6 2.0 1.0 0.2 0.1 3.5 9.4 0.5 5.7 0.5 0.3 1.9 0.1
3 3 5 4 4 4 5 5 2 2 4 kt 2 4 5 3 6 0 4 3 4 5 4 5 5 3 1
3 0 0 1 2 0 1 1 0 2 2 1 0 1 1 1 3 0 0 3 0 3 2 3 0 2 2 1
2 6 3 4 2 5 0 1 7 6 3 2 4 7 5 3 4 1 8 0 7 1 0 2 5 1 6 8
20
d
M
Ire1
42.54 42.76 43.19 43.19 43.29 43.30 43.83 44.25 44.58 44.99 45.40 45.50 46.12 46.74 46.93 47.53 47.53 47.83 47.84 48.12 48.13 48.52 49.49 49.69 49.69 49.88 49.89 49.89
2.125 2.114 2.095 2.095 2.090 2.090 2.066 2.047 2.033 2.015 1.998 1.993 1.968 1.944 1.936 1.913 1.913 1.902 1.901 1.891 1.890 1.876 1.842 1.835 1.835 1.828 1.828 1.828
12 12 12 24 24 12 12 24 12 12 24 24 12 24 24 24 12 12 2 12 12 24 12 24 12 24 24 12
5.3 1.9 0.2 0.3 1.0 3.2 0.1 1.1 0.2 0.9 0.7 4.3 3.8 0.6 0.6 0.3 2.4 0.3 9.1 0.3 0.1 0.5 4.6 1.0 2.1 1.1 4.2 1.8
(Na,
tetramethylammonium)-E
Zeolites
16:323-802,
1996
429
EDI
Edingtonite
COMPOSITION:
CRYSTAL
Baz(Si6A14020).7H20 Bathurst, New Brunswick,
DATA:
P21212 (No. 18) a = 9.537 A b = 9.651 A Q = 90” d = 90”
REFERENCE
hkl 1 0 0 1 0 2 1 1 2 0 2 1 2 2 0 0 1 1 3 2 1 0 3 1 3
430
1 0 1 0 2 0 1 2 1 2 0 2 1 2 0 1 0 3 1 2 1 3 0 3 1
Zeolites
0 1 1 1 0 0 1 0 0 1 1 1 1 0 2 2 2 0 0 1 2 1 1 1 1
d
M
I rel
13.05 13.60 16.43 16.49 18.39 18.61 18.89 20.63 20.78 22.94 23.12 24.79 24.92 26.27 27.40 28.95 28.99 29.30 29.58 29.70 30.46 31.01 31.31 32.43 32.69
6.784 6.509 5.396 5.376 4.825 4.768 4.697 4.306 4.275 3.876 3.847 3.591 3.573 3.392 3.255 3.084 3.080 3.048 3.019 3.008 2.934 2.884 2.857 2.761 2.739
4 2 4 4 2 2 8 4 4 4 4 8 8 4 2 4 4 4 4 8 8 4 4 8 8
1.4 90.4 34.9 46.3 53.7 43.7 86.1 9.0 4.0 5.6 1.6 100.0 86.7 20.6 11.1 15.0 13.3 29.3 30.2 20.8 35.5 1.2 1.5 84.4 91.2
1996
c = 6.509 ii 3’ = 90”
A. Kvick and J. V. Smith, J. Chem. Phys. 79 (5), 2356-2362
28
16:323-602,
Canada.
hkl 0 2 2 3 1 2 2 3 0 4 2 0 3 0 3 4 1 3 1 4 0 2 4 3 0
26’ 2 0 3 2 2 1 3 2 4 0 2 3 0 4 3 0 3 1 4 1 0 4 2 3 1
2 2 0 0 2 2 1 1 0 0 2 2 2 1 0 1 2 2 1 1 3 0 0 1 3
33.20 33.33 33.60 33.76 34.55 34.64 36.41 36.55 37.27 37.73 38.33 39.38 39.63 39.85 39.87 40.28 40.55 40.76 41.00 41.40 41.62 41.96 42.28 42.31 42.71
(1983).
d
AId
1x1
2.698 2.688 2.667 2.655 2.596 2.589 2.468 2.458 2.413 2.384 2.348 2.288 2.274 2.262 2.261 2.239 2.225 2.214 2.201 2.181 2.170 2.153 2.138 2.136 2.117
4 4 4 4 8 8 8 8 2 2 8 4 4 4 4 4 8 8 8 8 2 4 4 8 4
0.4 0.6 5.2 5.9 41.2 49.6 6.0 7.8 1.5 1.4 2.9 35.2 29.6 3.1 34.2 2.5 1.7 1.9 20.9 18.0 4.7 12.6 13.8 12.3 3.0
hkl 1 1 2 3 2 4 0 2 1 2 4 3 4 1 1 4 5 3 0 3 4 5 2
28 0 1 3 2 4 2 2 0 2 1 0 4 3 4 5 1 1 3 5 4 3 0 2
3 3 2 2 1 1 3 3 3 3 2 0 0 2 0 2 0 2 1 1 1 1 3
42.74 43.81 43.89 44.02 44.32 44.62 45.86 45.95 46.89 46.96 47.26 47.30 47.46 47.89 48.09 48.25 48.66 49.06 49.24 49.45 49.61 49.82 49.89
d 2.116 2.067 2.063 2.057 2.044 2.031 1.979 1.975 1.938 1.935 1.923 1.922 1.915 1.899 1.892 1.886 1.871 1.857 1.851 1.843 1.838 1.830 1.828
M
I rel
4 8 8 8 8 8 4 4 8 8 4 4 4 8 4 8 4 8 4 8 8 4 8
2.8 16.3 8.0 7.6 6.9 6.9 3.7 5.3 8.4 8.4 0.2 1.4 2.1 7.4 2.0 8.5 1.9 2.0 5.7 10.4 11.3 5.8 18.1
EDI
Edingtonite
Zeolites
16:323-602,
1996
431
EDI
Na-exchanged
COMPOSITION:
Na:,(Si5A15Ozo)*9H:!O
CRYSTAL
P$21m (No. 113) a = 10.056 A b = 10.056 A cy = 90” B = 90”
DATA:
REFERENCE:
hkl 1 0 1 2 1 2 2 2 2 0 3 1 2 1 3
432
1 0 0 0 1 1 0 1 2 0 1 0 2 1 0
Zeolites
0 1 1 0 1 0 1 1 0 2 0 2 1 2 1
K-F
28
d
12.45 13.25 15.93 17.64 18.22 19.74 22.13 23.85 25.05 26.69 28.06 28.15 28.44 29.55 29.82
7.111 6.680 5.564 5.028 4.869 4.497 4.017 3.731 3.555 3.340 3.180 3.170 3.139 3.023 2.996
16:323-802,
Ch. Baerlocher Z. Kristallogr.
iv
4 2 8 4 8 8 8 16 4 2 8 8 8 8 8
1996
Ire1
86.9 25.8 9.0 1.1 13.6 0.5 3.5 5.4 15.5 4.1 9.1 11.6 100.0 29.9 1.6
hkl 3 3 2 2 3 4 4 2 3 3 3 4 4 3 0
1 2 0 1 2 0 1 2 0 0 1 1 2 3 0
1 0 2 2 1 0 0 2 2 1 2 1 0 1 3
c = 6.68 A y = 90”
and R. M. Barrer, 140, lo-26 (1974).
20
d
A4
Ire1
h
k
31.15 32.09 32.17 33.42 34.86 35.71 36.85 36.92 38.03 38.25 39.11 39.33 40.10 40.38 40.51
2.871 2.789 2.782 2.681 2.574 2.514 2.439 2.434 2.366 2.353 2.303 2.291 2.249 2.234 2.227
16 8 8 16 16 4 8 8 8 8 16 16 8 8 2
29.0 0.7 0.5 0.5 2.1 4.8 2.5 7.6 0.7 3.5 6.8 0.7 3.4 2.6 2.7
3 4 1 2 4 2 4 3 4 5 5 2 4 3
2 2 1 0 0 1 1 3 3 0 1 2 2 0
1 2 1 3 3 2 3 2 2 1 1 1 3 2 3
26’ 42.21 42.41 42.54 44.50 45.14 45.45 46.08 47.01 47.19 47.19 48.11 48.22 48.82 49.12
d
M
Ire1
2.141 2.131 2.125 2.036 2.009 1.996 1.970 1.933 1.926 1.926 1.891 1.887 1.865 1.855
16 16 8 8 8 16 16 8 16 8 16 8 16 8
3.1 1.7 2.9 0.2 4.9 0.8 0.3 0.4 0.2 0.4 0.8 9.0 2.5 0.3
Na-exchanged
EDI
K-F
1 0
Zeolites
16:323-802,
1996
433
EMT
Calcined
COMPOSITION:
Na~.~(Si7sAlao01g2).6HzO
CRYSTAL
P6s/mmc (No. 194) a = 17.3864 ii b = 17.3864 A cy = 90” p = 90”
DATA:
REFERENCE:
434
h
k
1
26
1
0
0
0 1 1 1 1 2 1 2 0 2 1 2 2 2 1 2 2 3 2 3 0 2 1 2 3 2 1 3 2 2 1 3 4 4
0 0 0 1 0 0 1 0 0 0 0 0 1 1 0 1 0 0 1 0 0 0 0 1 0 2 1 1 1 0 0 1 0 0
2 1 2 0 3 0 2 1 4 2 4 3 0 1 5 2 4 1 3 2 6 5 6 4 3 0 6 1 5 6 7 3 0 1
5.87 6.24 6.65 8.57 10.18 11.05 11.75 11.94 12.16 12.49 13.32 13.81 15.05 15.57 15.88 16.71 16.79 17.18 17.95 18.20 18.76 18.78 19.60 19.69 20.01 20.03 20.43 21.41 21.51 22.13 22.21 22.74 23.29 23.63 23.85
Zeolites
EMC-2
d 15.057 14.173 13.297 10.320 8.693 8.003 7.529 7.410 7.276 7.087 6.649 6.412 5.888 5.691 5.580 5.306 5.281 5.160 4.942 4.875 4.731 4.724 4.529 4.508 4.437 4.432 4.347 4.151 4.132 4.016 4.002 3.911 3.820 3.764 3.732
16:323-802,
c = 28.3459 A y = 120”
Ch. Baerlocher, L. B. McCusker and R. Chiappetta, Microporous Materials 2, 269-280 (1994).
hf
I rel
hk
1
28
d
6 2 12 12 6 12 6 12 12 2 12 12 12 12 24 12 24 12 12 24 12 2 12 12 24 12 6 12 24 24 12 12 24 6 12
100.0 41.5 29.6 0.2 9.9 12.7 2.7 6.1 1.5 0.3 0.7 2.1 0.6 7.0 3.8 1.2 0.8 6.1 0.1 2.5 1.4 0.2 0.4 1.0 0.7 0.1 3.8 0.3 0.2 1.0 1.5 2.0 4.4 2.1 0.7
40 21 314 20 32 10 30 315 32 410 11 32 30 31 32 50 50 50 2 33 30 50 33 0 4 42 32 1 50 22 42 5 31 1 50
2 6
24.47 24.49 24.75 24.97 25.79 25.83 25.90 26.51 26.56 27.14 27.18 27.49 28.32 28.53 28.75 29.66 29.84 30.34 30.77 30.86 30.89 31.17 31.51 31.56 31.60 32.08 32.10 32.13 32.30 32.60 32.87 33.13 33.16 33.24 33.70
3.638 3.635 3.598 3.566 3.454 3.449 3.440 3.362 3.356 3.286 3.281 3.244 3.1Ti2 :1.129 3.105 3.011 2.995 2.946 2.905 2.898 2.895 2.869 2.839 2.835 2.831 2.790 2.788 2.786 2.772 2.746 2.725 2.704 2.702 2.695 2.660
1996
7 0 8 6 2
0
0 2
0
1 1
8 3 7 6 4 0 1 2 9 0 8 3 2 10 1 2 6 10 4 8 3 0 8 10 5
31 Ire1
hk
12 24 24 12 12 12 12 24 24 12 12 24 12 24 24 6 12 12 12 6 12 12 12 2 24 24 24 12 12 12 24 12 24 12 12
512 42 32 513 41 1 60 6 60 0 60 6 42 4 5 6 70 4 13 53 2 62 60 62 2 3 714 63 54 1 5 54 5 72
0.4 0.1 2.1 0.3 0.7 0.7 0.2 1.4 0.3 1.7 2.1 0.9 0.3 0.2 1.6 0.1 0.1 0.2 0.3 1.3 1.4 3.4 0.2 1.6 0.2 0.5 0.3 0.3 1.5 1.0 0.3 0.3 0.6 0.2 0.7
1 4 7
0 0 0 1 4 1 1 0
0
0 1
0 1 2
7 11 0 3 4 12 5 3 8 0 8 5 2 11 7 3 13 2 8 3 14 13 0 3 15 11 4 10 1
20 33.74 33.95 34.12 34.50 35.17 35.34 35.78 37.06 38.04 38.10 39.26 40.42 40.66 41.55 42.03 42.47 -22.51 42.51 42.82 43.13 43.19 43.82 44.23 44.43 46.44 47.01 47.35 47.95 48.17 48.55 48.82 48.96 49.64 49.66
d
Al
IreI
2.656 2.641 2.628 2.600 2.551 2.540 2.509 2.425 2.366 2.362 2.295 2.231 2.219 2.173 2.150 2.128 2.127 2.126 2.112 2.097 2.094 2.066 2.048 2.039 1.955 1.933 1.920 1.897 1.889 1.875 1.866 1.860 1.837 1.836
24 24 24 24 24 12 6 12 12 2 12 24 2-1 6 24 24 12 12 24 24 12 24 12 24 12 24 24 12 24 12 24 24 24 24
0.2 1.2 0.6 1.9 0.2 0.4 0.1 0.2 0.4 0.4 0.7 0.1 0.1 0.5 0.3 0.1 0.1 0.6 0.4 0.1 0.1 0.3 0.5 0.3 0.2 0.2 0.2 0.3 0.2 0.1 0.3 0.1 0.1 0.1
Calcined
EMC-2
-3 -==s
Zeolites
16:323-802,
1996
435
EMT
Partially
Nazo(Si7sAlzoOlg2).4C1206H24.22.6H20
CRYSTAL
P6s/mmc (No. a = 17.3741 A o! = 90”
20
1 0 0 0 1 0 1 0 1 1 1 0 2 0 1 1 2 0 0 0 2 0 1 0 2 0 2 1 2 1 1 1 1 0 2 1 2 0 3 0 2 1 3 0 0 0 2 0 1 0 2 1 3 0 2 2 2 2 1 1 3 1 2 1 2 0 1 0 3 1 4 0 3 0 4 0 2 2 4 0 3 1 3 2 1 0 3 0 3 2
436
0 5.87 2 6.23 1 6.65 2 8.57 0 10.18 3 11.05 0 11.76 2 11.95 1 12.17 4 12.48 2 13.32 4 13.81 3 15.05 0 15.58 1 15.89 4 16.13 5 16.70 2 16.80 4 17.18 1 17.96 3 18.20 2 18.77 6 18.77 5 19.60 6 19.68 4 20.01 3 20.04 0 20.45 2 21.39 6 21.40 1 21.52 5 22.13 6 22.21 7 22.73 3 23.30 0 23.65 5 23.68 1 23.86 4 24.03 2 24.48 4 24.75 0 25.81 8 25.82 6 25.90 1 26.00
Zeolites
EMC-2
COMPOSITION: DATA:
REFERENCE
hkl
dehydrated
16:323-802,
c = 28.3646 A y = 120”
Ch. Baerlocher, L. B. McCusker and R.. Chiappetta, Microporous Materials 2, 269-280 (1994).
d
M
I rel
hk
15.046 14.182 13.292 10.320 8.687 8.005 7.523 7.408 7.272 7.091 6.646 6.414 5.887 5.687 5.576 5.493 5.308 5.278 5.160 4.939 4.873 4.728 4.727 4.530 4.510 4.436 4.431 4.344 4.153 4.152 4.129 4.016 4.003 3.913 3.818 3.762 3.757 3.729 3.704 3.636 3.597 3.452 3.451 3.440 3.427
6 2 12 12 6 12 6 12 12 2 12 12 12 12 24 12 12 24 12 12 24 12 2 12 12 24 12 6 12 12 24 24 12 12 24 6 12 12 12 12 24 12 12 12 24
100.0 41.3 9.8 3.4 1.1 4.0 4.0 7.3 1.9 0.1 0.5 0.1 0.7 8.1 2.4 0.2 5.1 0.8 8.2 0.1 1.7 4.5 0.1 0.9 2.6 1.9 0.2 7.7 0.8 0.2 0.8 2.0 2.8 4.5 6.5 3.8 0.3 1.2 0.1 0.7 5.5 0.6 1.3 0.2 0.1
3 3 4 4 1 3 4 3 5 2 5 2 3 3 5 3 0 4 4 3 1 5 2 2 4 5 3 1 3 3 5 5 4 3 5 4 4 1 2 5 6 6 5 2 6
1996
194) b = 17.3741 8, I!?= 90”
120 1 5 2 2 0 4 1 0 1 8 3 2 2 1 2 4 0 0 1 8 0 2 0 9 3 0 0 8 0 3 2 3 0 10 2 1 2 2 2 6 0 10 0 4 1 9 2 8 2 3 1 0 1 8 1 10 4 3 0 9 0 5 1 2 2 4 2 7 1 3 0 8 1 7 0 11 1 10 1 4 0 0 0 2 1 5 0 11 0 3
26.52 26.58 26.83 27.16 27.16 27.51 27.89 28.76 29.69 29.69 30.36 30.76 30.88 30.88 31.19 31.53 31.54 31.62 32.10 32.11 32.11 32.32 32.48 32.60 32.89 33.15 33.15 33.23 33.42 33.58 33.71 33.76 33.97 34.12 34.52 34.77 35.18 35.31 35.36 35.55 35.81 36.38 36.84 36.85 37.09
d 3.362 3.354 3.323 3.283 3.283 3.243 3.199 3.104 3.009 3.009 2.944 2.907 2.896 2.895 2.868 2.837 2.837 2.829 2.788 2.788 2.787 2.770 2.757 2.747 2.723 2.702 2.702 2.696 2.681 2.669 2.658 2.655 2.639 2.628 2.598 2.580 2.551 2.541 2.538 2.525 2.508 2.469 2.440 2.439 2.424
hf 24 24 12 12 12 24 24 24 6 24 12 12 6 12 12 12 2 24 24 24 12 12 24 12 24 12 24 12 12 12 12 24 24 24 24 12 24 12 24 24 6 12 24 12 12
IreI 1.5 0.5 0.2 3.3 2.4 1.0 0.4 3.0 0.1 0.8 0.5 0.7 1.4 2.1 5.0 0.6 1.6 1.0 0.6 0.6 1.1 2.9 0.2 2.2 0.5 0.6 0.3 1.1 0.2 0.2 1.9 0.4 1.0 0.9 2.0 0.3 0.7 0.6 0.3 0.3 0.7 0.3 0.3 0.1 0.2
h 5 4 6 0 1 4 6 5 6 3 4 4 6 4 5 3 6 4 1 5 5 6 4 7 4 5 7 2 4 2 3 6 7 6 6 4 4 5
k 2 3 0 0 0 2 1 0 0 0 1 3 1 2 2 2 1 4 0 3 1 1 0 0 3 3 0 0 4 2 2 2 0 0 2 3 1 1
1 0 3 4 12 12 7 0 8 5 11 9 5 3 8 5 10 4 0 13 0 8 5 11 2 7 3 3 13 4 12 11 2 4 8 3 8 11 10
20 37.32 37.58 38.06 38.07 38.55 38.68 39.26 39.27 39.28 39.29 39.64 39.75 40.45 40.67 40.68 41.19 41.36 41.58 41.83 42.03 42.04 42.50 42.50 42.54 42.83 43.16 43.16 43.17 43.58 43.59 43.82 43.86 44.02 44.24 44.46 44.67 44.68 46.41
2 3 7 4 5 7 6
0
14
46.41
1 1 1
13
46.99
4
47.38
12
3 0 3
7 7 0
47.39 47.91 47.91 47.99
d 2.409 2.393 2.364 2.364 2.335 2.328 2.295 2.294 2.294 2.293 2.274 2.267 2.230 2.218 2.218 2.192 2.183 2.172 2.159 2.150 2.149 2.127 2.127 2.125 2.111 2.096 2.096 2.096 2.077 2.076 2.066 2.064 2.057 2.047 2.037 2.029 2.028 1.957 1.956 1.934 1.919 1.918 1.899 1.899 1.896
M 12 24 12 2 12 24 12 12 12 12 24 24 24 24 24 24 24 6 12 12 24 24 12 12 24 24 12 12 12 12 24 24 12 12 24 24 24 24 12 24 24 24 24 12 12
I,.el 0.3 0.3 0.5 0.8 0.4 0.2 0.1 0.2 1.3 0.2 0.2 0.1 0.2 0.2 0.1 0.2 0.2 0.9 0.1 0.1 0.5 0.4 1.2 0.2 0.8 0.2 0.1 0.3 0.2 0.1 0.1 0.5 0.1 0.4 0.3 0.3 0.3 0.1 0.3 0.2 0.3 0.1 0.1 0.2 0.4
Partially
dehydrated
EMC-2
Zeolites
16:323-802,
1996
437
EPI
Epistil bite
COMPOSITION:
(Na~.~~K~.~Ca~.~~)(Si~~.~~A1~.~~0~s)~15.74H~0 Teigerhorn, Iceland.
CRYSTAL
Cl 2/m 1 (No. a = 9.08 A cI1= 90”
DATA:
REFERENCE:
h
k 1 2 0
0 0 -1 1 0 -1 -1 1 -2 0 1 -2 0 -2 0 -1 -2 0 2 1 2 -2 -1 -1 1 -2 -2 -2 0 -3
0 1 1 2 1 3 3 0 4 1 0 0 2 4 3 2 2 0 3 2 0 5 1 5 4 2 4 4 1
1 1 0 1 2 1 0 1 0 1 2 2 1 1 2 2 2 0 1 0 3 1 3 0 1 3 2 2 2
112 0 -1 -1 2 2 -3 0
438
6 5 3 0 4 1 0
0 2 3 1 0 1 3
Zeolites
28
d
9.97 10.48 11.58 12.84 14.48 18.02 18.30 19.13 19.78 20.02 20.45 20.98 21.04 22.19 22.65 22.96 23.28 23.34 23.79 24.94 25.85 26.75 27.25 27.26 27.83 28.29 28.61 29.16 29.20 29.96 30.05 30.23 30.65 30.83 31.17 31.29 31.53 31.79
8.870 8.443 7.642 6.892 6.116 4.924 4.848 4.639 4.489 4.435 4.342 4.234 4.222 4.006 3.926 3.873 3.821 3.812 3.740 3.570 3.446 3.333 3.272 3.272 3.206 3.155 3.120 3.062 3.058 2.982 2.974 2.957 2.917 2.901 2.870 2.859 2.837 2.814
16:323-802,
12) unique axis b, cell choice 1 b = 17.74 A c = 10.25 H+ /3 = 124.54” y = 90”
A. J. Perrotta, Mineral. Mag. 36. 480-490
It1 2 2
4 4
4 4 4 4
4
2
1996
I rcl 53.4 17.1 4.6 70.0 1.5 73.6 12.7 9.3 15.4 4.5 37.7 2.4 0.3 12.6 13.3 100.0 11.0 32.9 14.8 1.3 83.0 10.7 16.9 11.5 44.5 0.3 0.2 6.6 0.7 9.4 2.9 2.1 50.1 2.1 0.7 42.8 3.6 1.1
h k 0 -3 1 2 -3 1 0 -2 -2 -3 3 -2 -1 -1 -2 0 2 -3 1 -1 0 2 -3 3 -1 -4 -3 -4 -1 -3 1 -2 0 -2 -3 1 -4 -4
6 I 5 2 3 3 2 4 0 3 1 2 7 5 6 6 4 1 7 1 4 6 5 3 7 0 3 0 3 5 1 4 8 6 5 7 2 2
1 1 3 1 1 2 2 3 3 4 3 0 4 1 3 2 2 1 4 0 4 3 0 2 0 2 3 4 2 4 1 3 4 0 3 3 1 3 2
28 32.07 32.11 32.19 32.80 33.26 33.34 33.40 33.63 35.02 35.23 36.39 36.50 37.03 37.03 37.09 37.12 37.32 37.41 37.47 37.48 37.86 38.83 39.13 39.21 39.67 39.99 40.17 40.17 40.24 40.38 40.46 40.66 40.69 40.80 40.85 40.92 41.32 41.50
d 2.790 2.787 2.781 2.730 2.693 2.687 2.683 2.664 2.562 2.547 2.469 2.462 2.428 2.428 2.424 2.422 2.409 2.404 2.400 2.400 2.376 2.319 2.302 2.297 2.272 2.254 2.245 2.245 2.241 2.233 2.230 2.219 2.217 2.212 2.209 2.206 2.185 2.176
(1967).
nr I rel
4 2 4 3
4 4 4 4 4
4 4 2 4
0.7 15.2 0.6 0.2 12.6 15.2 6.3 4.0 12.6 5.4 1.9 7.8 0.6 11.8 8.0 0.5 2.8 1.5 0.3 1.5 0.3 4.4 0.7 0.2 0.2 3.9 1.6 0.2 1.2 0.7 6.7 9.7 0.3 4.5 1.0 0.6 2.9 0.2
h k 2 0 1 -4 2 -4 0 3 0 -4 -2 -3 -1 -3 -4 -1 2 -2 -2 3 -2 0 -3 1 -2 -3 -4 2 1 0 -3 -4 -3 3 -4 -2 -1
2 0 3 0 6 2 2 5 6 2 0 1 7 5 4 5 4 8 2 3 8 8 7 7 6 3 4 8 9 4 7 0 7 0 2 4 9
1 2 4 3 1 1 4 4 0 3 1 5 5 3 4 2 4 2 1 5 1 2 2 2 2 4 5 4 0 0 4 1 5 3 0 5 5 2
20 41.60 42.84 43.06 43.22 43.97 43.97 44.10 44.41 44.44 44.47 44.63 44.90 44.95 45.27 45.28 45.34 45.37 45.63 45.85 46.05 46.21 46.24 46.76 46.82 46.92 47.30 47.60 47.68 47.71 47.72 47.85 47.93 48.26 48.70 49.08 49.37 49.55
cl 2.171 2.111 2.101 2.093 2.059 2.059 2.054 2.040 2.038 2.037 2.030 2.019 2.016 2.003 2.003 2.000 1.999 1.988 1.979 1.971 1.964 1.963 1.943 1.940 1.936 1.922 1.910 1.907 1.906 1.906 1.901 1.898 1.886 1.870 1.856 1.846 1.840
n1 2
2 4 4 4
4 4 4
4 4
4 2 2 4 4
I Rl 2.6 0.2 4.0 3.2 0.7 3.0 3.5 0.6 0.8 0.6 3.3 4.2 1.0 1.4 8.0 0.7 3.8 0.4 0.5 1.3 1.4 3.5 3.4 5.3 2.0 0.1 3.7 3.3 2.1 3.8 0.5 0.3 0.1 16.8 0.8 0.4 3.4
EPI
Epistil bite
Zeolites
16:323-802,
1996
439
ERI
Erionite
COMPOSITION:
CRYSTAL
DATA:
P~~/VLTK (NO. 194) a = 13.27 A b = 13.27 A ck = 90” p = 90”
REFERENCE:
hkl 1 1 0 1 1 2 2 1 2 2 2 3 2 0 2 1 3 2 2 1 3 2 3
440
28 0 0 0 1 0 0 0 0 0 1 1 0 0 0 1 0 0 2 1 1 1 0 1
0 1 2 0 2 0 1 3 2 0 1 0 3 4 2 4 2 0 3 4 0 4 1
Zeolites
7.69 9.68 11.76 13.34 14.07 15.42 16.51 19.30 19.44 20.45 21.29 23.22 23.54 23.65 23.65 24.90 26.10 26.87 27.16 27.25 27.99 28.35 28.63
d 11.492 9.134 7.525 6.635 6.296 5.746 5.368 4.598 4.567 4.344 4.173 3.831 3.779 3.763 3.762 3.576 3.414 3.318 3.284 3.273 3.187 3.148 3.118
16:323-802,
1996
c = 15.05 A y = 120"
J. A. Gard and J. M. Tait, Proc. Third Inter. Conf. on Molec. Sieves, Recent Prog. Reports Zurich, Ed. by J. B. Uytterhoeven, Leuven University Press, 94-99 (1973).
iv
Ire1
hkl
6 12 2 6 12 6 12 12 12 12 24 6 12 2 24 12 12 6 24 12 12 12 24
100.0 23.5 13.3 24.8 6.5 4.6 4.3 5.3 7.9 11.2 7.1 9.0 1.4 2.2 15.1 13.3 0.6 4.0 3.7 1.0 0.8 6.5 0.7
3 1 4 2 4 3 4 2 3 0 4 4 2 3 2 4 1 2 5 4 5 4 3
1 0 0 1 0 1 0 0 2 0 1 0 2 2 1 1 1 0 0 0 0 1 3
2 5 0 4 1 3 2 5 1 6 0 3 4 2 5 1 6 6 0 4 1 3 0
20
d
44
Ire1
h/i-l
30.46 30.70 31.13 31.46 31.71 33.30 33.38 33.61 34.54 35.80 35.81 36.02 36.09 36.10 36.31 36.32 38.36 39.19 39.19 39.46 39.67 40.20 40.80
2.935 2.912 2.873 2.844 2.822 2.690 2.684 2.666 2.597 2.508 2.508 2.493 2.488 2.488 2.474 2.474 2.346 2.299 2.298 2.283 2.272 2.243 2.212
24 12 6 24 12 24 12 12 24 2 12 12 12 24 24 24 12 12 6 12 12 24 6
0.9 0.5 8.1 18.0 8.1 0.8 4.2 0.9 0.2 0.9 5.1 0.3 0.8 2.4 1.3 0.2 0.3 0.1 0.3 0.3 0.4 0.4 1.7
5 3 1 3 5 4 5 5 3 5 2 4 5 3 4 4 0 4 4 1 5 4 5
0 3 0 0 0 2 1 1 1 0 1 1 1 3 0 3 0 2 3 0 2 3 0
2 2 7 6 3 2 1 2 6 4 7 5 3 4 6 0 8 4 1 8 0 2 5
20
d
Ad
Ire1
41.06 42.61 42.79 43.11 43.30 43.36 44.29 45.57 46.04 46.29 47.17 47.17 47.64 47.70 48.16 48.16 48.38 48.39 48.57 49.07 49.53 49.76 49.92
2.198 2.122 2.113 2.099 2.090 2.087 2.045 1.991 1.971 1.961 1.927 1.927 1.909 1.907 1.889 1.889 1.881 1.881 1.875 1.857 1.840 1.832 1.827
12 12 12 12 12 24 24 24 24 12 24 24 24 12 12 12 2 24 24 12 12 24 12
0.4 1.5 0.2 0.9 0.3 1.1 0.3 1.1 0.2 0.7 0.2 0.4 0.2 0.2 0.9 0.1 2.9 0.2 0.3 0.9 1.4 0.2 0.6
Erionite
i
-1
Zeolites
16:323-802,1996
441
ERI
Piperidine
COMPOSITION:
(A11sP1s07~).4C5H~lN.4H20
CRYSTAL
P63/m (No. 176) a = 13.2371 a b = 13.2371 A fi = 90” Q = 90”
DATA:
REFERENCE:
h k 1 1 0 0 1 0 1 1 1 2 2 1 2 1 1 2 1 2 1 3 1 2 2 0 1 3 2 2 2 1 1 3 3 2 2 1 3 4
442
0 0 1 0 1 0 0 1 0 0 2 1 2 1 1 0 2 1 0 0 0 0 2 1 2 1 3 1 1 0 2 3 1 0
Zeolites
1 2 0 2 1 0 1 2 2 3 0 0 1 1 3 0 2 2 3 4 4 2 0 3 1 4 0 0 1 4 2 2 2 0
AIPOd-17
28 7.71 9.77 11.98 13.38 14.27 14.67 15.46 16.59 18.00 19.60 19.62 20.50 20.50 21.37 21.37 22.51 23.28 23.81 23.81 23.82 24.10 25.34 26.26 26.94 27.42 27.62 27.66 28.06 28.06 28.72 28.76 29.58 30.61 30.61 31.21
16:323-802,
d
J. J. Pluth, Acta Cryst.
Al
11.464 9.056 7.385 6.618 6.209 6.040 5.732 5.344 4.929 4.528 4.524 4.333 4.333 4.158 4.158 3.950 3.821 3.737 3.737 3.735 3.693 3.515 3.394 3.309 3.253 3.229 3.225 3.179 3.179 3.108 3.104 3.020 2.920 2.920 2.866
1996
6 12 2 6 12 12 6 12 12 12 12 6 6 12 12 12 6 12 12 12 2 12 12 6 12 12 12 6 6 12 12 12 12 12 6
I rel 100.0 44.5 1.7 44.5 8.8 0.5 19.4 8.1 6.6 12.4 15.2 14.6 9.6 9.8 4.8 4.3 7.5 3.7 6.5 1.6 1.4 26.6 0.1 14.7 6.8 0.4 1.9 0.6 0.4 1.6 4.9 0.1 1.2 2.6 8.8
J. V. Smith and J. M. Bennett. C42, 283-286 (1986).
hkl 1 4 1 2 2 1 4 3 3 3 2 3 1 4 2 3 4 1 0 1 1 3 1 4 3 2 5 5 4 1 4 3 5 3 3
c = 14.7708 A “i = 120”
0 0 2 1 2 1 0 1 0 2 0 2 4 1 3 2 0 4 0 2 3 1 0 1 0 3 0 0 0 4 1 3 0 3 1
5 1 4 4 3 5 2 3 4 0 5 1 0 0 2 2 3 1 6 5 4 4 6 2 5 3 0 1 4 3 3 0 2 1 5
28
d
Al
Iye,
hkl
31.27 31.81 31.84 31.84 32.60 33.21 33.54 33.55 33.75 34.09 34.14 34.64 35.90 35.90 36.26 36.26 36.27 36.43 36.50 36.82 37.32 37.32 37.36 37.98 38.52 38.82 39.30 39.79 39.81 40.44 40.44 30.90 41.23 41.38 41.74
2.861 2.813 2.810 2.810 2.746 2.698 2.672 2.671 2.655 2.630 2.626 2.589 2.502 2.502 2.477 2.477 2.477 2.466 2.462 2.441 2.409 2.409 2.407 2.369 2.337 2.320 2.293 2.266 2.264 2.230 2.230 2.206 2.190 2.182 2.164
12 12 12 12 12 12 12 12 12 6 12 12 6 6 12 12 12 12 2 12 1’ 12 12 12 12 12 6 12 12 12 12 6 12 12 12
1.1 14.1 4.8 7.0 0.3 0.1 6.6 1.1 0.2 0.1 0.9 0.3 0.9 2.2 0.5 0.2 0.2 0.2 1.8 1.2 0.1 0.3 0.6 0.4 0.1 0.1 0.4 1.0 1.7 0.6 0.8 0.2 0.6 0.2 0.1
2 3 1 2 3 4 5 1 3 4 1 3 1 1 5 2 2 5 6 1 4 5 1 2 3 3 4 4 0 2 5 3 4
4 2 2 1 3 2 0 0 0 0 5 3 1 5 1 2 3 0 0 4 1 1 2 1 3 4 3 0 0 5 2 4 3
1 4 6 6 2 2 3 7 6 5 1 3 7 2 2 6 5 4 0 5 5 3 7 7 4 1 1 6 8 0 0 2 2
20
d
Al
42.16 42.18 42.22 42.22 42.78 43.53 43.54 43.61 43.74 44.02 44.42 45.03 45.10 45.75 45.75 45.95 46.21 46.63 47.59 47.63 47.63 47.89 47.95 47.9.5 48.04 48.71 48.71 48.76 49.36 39.66 49.66 49.94 49.94
2.143 2.142 2.140 2.140 2.114 2.079 2.078 2.075 2.069 2.057 2.039 2.013 2.010 1.983 1.983 1.975 1.964 1.948 1.911 1.909 1.909 1.899 1.897 1.897 1.894 1.869 1.869 1.867 1.846 1.836 1.836 1.826 1.826
12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 6 12 12 12 12 12 12 12 12 12 2 6 6 12 12
IreI 0.2 0.2 0.3 0.2 0.2 0.4 0.9 0.6 3.4 0.2 0.4 0.1 0.1 0.5 1.0 0.1 0.6 1.7 0.1 0.1 0.3 0.2 0.3 0.2 0.1 0.2 0.3 0.3 2.9 0.9 2.4 1.1 0.6
Piperidine
ERI
AlPOd -17
Zeolites
16:323-802.
1996
443
EUO
Calcined,
444
(Si1120224).36,16H20
CRYSTAL
Cmme (No. 67) a = 13.695 A b = 22.326 i% ck = 90” p = 90”
h
k
1
28
0 0 1 0 0 112 0 2 2 13 2 0 2 2 0 1 0 2 0 0 2 1 2 3 2 0 2 1 3 0 1 2 1 3 2 1 0 0 0 2 3 1 0 4 4
0 2 1 0 21
1 0 1 2
2 0 01
2 0
4.38 7.92 8.75 8.76 9.05 11.59 11.82 12.93 13.66 14.24 15.18 15.38 15.64 15.81 15.88 16.15 16.48 17.55 17.58 18.16 18.49 19.17 20.14 20.34 20.53 20.68 21.00 21.39 21.74 22.03 22.26 22.36 22.72 23.28 23.31 23.32 23.44 23.77 23.91 24.46 24.52 24.80 25.51 26.02 26.40
Zeolites
EU-1
COMPOSITION: DATA:
d
M
I RI
h
k
1
28
2 2 8 2
3.5 100.0 64.0 5.3 8.4 9.1 4.1 12.5 2.1 5.3 4.8 9.2 0.3 1.9 0.9 5.4 3.1 2.1 0.4 3.5 1.7 44.9 6.2 18.3 63.6 14.4 0.4 0.2 2.0 0.8 47.2 0.6 2.0 6.5 1.5 1.5 18.7 1.0 14.8 2.1 0.7 2.3 0.7 13.3 1.3
3 0 3 2 4 0 2 0 15 4 1 2 3 3 2 3 1 4 0 1 1 2 4 2 2 4 3 0 4 1 4 0 0 0 4 2 0 3 0 3 4 2 1 1 1
3 0 1 2 2 4 6 6
3 6 4 5 0 5 0 3 4 2 6 1 1 2 2 4 1 3 4 6 2 5 3 3 6 1 3 7 4 3 2 7 0 1 4 3 5 4 2 6 3 7 4 7 6
26.46 26.50 26.64 26.86 27.24 27.27 27.28 27.39 27.46 27.51 27.60 27.64 28.31 28.67 28.70 28.98 29.08 29.27 29.84 29.88 30.10 30.29 30.37 30.40 30.68 30.96 31.01 31.02 31.58 31.73 31.92 32.07 32.07 32.38 32.61 32.64 32.74 33.21 33.31 33.33 33.47 33.74 33.89 33.99 34.01
20.178 11.163 10.105 10.089 9.768 7.633 7.485 6.847 6.484 6.220 5.837 5.761 5.666 5.607 5.581 5.487 5.380 5.052 5.045 4.884 4.798 4.631 4.408 4.366 4.326 4.295 4.230 4.154 4.089 4.036 3.994 3.976 3.913 3.821 3.817 3.814 3.795 3.743 3.721 3.639 3.631 3.590 3.491 3.424 3.376
16:323-802,
c = 20.178 A y = 90”
N. A. Briscoe, D. W. Johnson, M. D. Shannon, and L. B. McCusker, Zeolites 8, 74-76 (1988).
REFERENCE:
1 2 0 2 3 0 2 2 1 4 0 3 2 41 2 2 0 4 4 2 0 3 1 4 2 3 1 1 4 0 4 3 4 1 5 1 1 2 0 5 3 4 4 2 5 2 3 1 2 4 1 5 2 5 4 4 6 0 4 3 3 2 5 3 6 2 0 0 01
rehydrated,
8 2 8
8 8 8 4 4 8 8 8 2 8 8 8 8 8 8 4
2 4
1996
0 1 6 5 2 6 3 7 0 6 3 7 4 2 6 2 4 5 0 0 7 4 2 8 8 2 6 6 5 8 1 4 0 7 3 5
d 3.368 3.363 3.347 3.319 3.273 3.270 3.269 3.256 3.248 3.242 3.232 3.227 3.153 3.113 3.110 3.081 3.070 3.051 2.995 2.991 2.969 2.951 2.943 2.941 2.914 2.888 2.884 2.883 2.833 2.820 2.804 2.791 2.791 2.764 2.746 2.744 2.736 2.697 2.690 2.688 2.677 2.657 2.645 2.638 2.636
iL1 2 8 8 3 4
8 8 8 4 8 8 8 8 8 8 8 8 2
8 8 8 8 8 8
G. T. Kokotailo
I rel
h
k
1
28
d
M
IreI
0.1 0.1 16.1 2.7 28.3 2.2 3.5 0.9 19.1 0.6 4.1 1.7 7.3 1.1 0.1 3.7 2.9 1.6 0.8 2.4 0.7 1.0 0.5 5.7 0.6 0.2 2.4 1.1 0.2 0.7 0.4 0.5 0.4 0.8 1.0 0.1 0.1 7.7 0.4 0.6 0.2 0.7 0.5 0.8 1.1
5 4 3 2 2 0 2 0 5 4 2 3 4 0 5 4 3 2 5 0 4 1 3 2 5 1 1 4 4 3 5 2 0 0 5 1 0 5 6 4 0 6 0 4 6
1
2 5 1 7
34.16 34.35 34.59 34.71 34.71 34.80 35.00 35.03 35.20 35.31 35.33 35.47 35.54 35.59 35.62 X.63 35.87 35.87 36.06 36.52 36.77 37.10 37.10 37.27 37.58 37.72 37.92 38.05 38.37 38.79 38.83 39.16 39.19 39.25 39.34 39.49 39.55 39.62 39.74 40.00 40.22 40.52 40.66 40.94 41.35
2.625 2.611 2.593 2.585 2.584 2.578 2.563 2.561 2.550 2.542 2.540 2.531 2.526 2.522 2.520 2.519 2.504 2.504 2.491 2.460 2.444 2.423 2.423 2.412 2.393 2.385 2.372 2.365 2.346 2.321 2.319 2.300 2.298 2.295 2.290 2.282 2.279 2.275 2.268 2.254 2.242 2.226 2.219 2.204 2.183
8 4 8 8 4 4 8 4 8 8 8 8 8 2 8 4 8 8 8 4 8 8 8 8 8 8 8 8 8 8 8 8 4 4 8 8 4 8 4 8 2 4 4 8 8
0.7 1.0 0.6 0.3 0.4 2.7 0.4 0.7 0.1 0.3 1.2 0.1 0.1 6.0 0.9 2.1 0.4 0.1 0.5 3.7 0.2 1.0 0.5 4.5 2.3 0.6 0.3 0.4 0.7 2.7 1.9 0.2 1.0 0.5 3.8 0.5 0.8 0.1 0.6 0.2 0.5 0.1 0.2 0.2 0.2
0 7 2 80 8 8 4 3 2 6 72 4 0 1 6 55 8 32 2 6 9 1 8 1 5 9 4 2 7 5 8 4 8 3 7 6 5 0 6 0 0 10 4 2
3 1 7 1 5 5 4 8 3 0 2 8 2 1 7 3 3 7 2 5 6 4 1 4 8 5 4 6 7 2 1 4 9 2 1 6 2
Calcined,
rehydrated,
EUO
E&l
>
Zeolites
16:323-802,
1996
445
FAU
Fau iasite
COMPOSITION:
(Nag.f$a4.8)(Si134.4Al57.60384).263H~O Kaiserstuhl, Germany.
CRYSTAL
Fd3m (No. 227) origin at centre (3m) a = 24.74 A b = 24.74 A c = 24.74 A I2 = 90” 13 = 90” y = 90”
DATA:
REFERENCE:
hkl 1 2 3 2 4 3 4 5 4 5 6 5 4 5 6 7
446
20 1 2 1 2 0 3 2 1 4 3 2 3 4 5 4 3
1 0 1 2 0 1 2 1 0 1 0 3 4 1 2 1
Zeolites
6.19 10.11 11.86 12.39 14.32 15.61 17.56 18.64 20.30 21.25 22.73 23.58 24.93 25.7’2 26.97 27.70
d 14.284 8.747 7.459 7.142 6.185 5.676 5.050 4.761 4.373 4.182 3.912 3.773 3.571 3.464 3.306 3.221
16:323-802,
1996
W. H. Baur, Am. Miner. 49, 697-704
A,2
IreI
8 12 24 8 6 24 24 24 12 48 24 24 8 24 48 48
100.0 9.4 7.5 0.3 0.2 10.7 0.1 4.1 4.1 0.2 0.7 6.5 0.2 1.1 3.9 0.4
hkl 7 6 8 5 7 8 7 9 8 6 9 8 8 9 6 7
26’ 3 6 2 5 5 4 5 1 4 6 3 -1 6 5 6 7
3 0 2 5 1 0 3 1 2 4 1 4 2 1 6 5
29.55 30.66 30.66 31.31 31.31 32.37 32.98 32.98 33.19 33.99 34.58 35.55 37.06 37.61 37.79 40.43
(1964).
d 3.023 2.916 2.916 2.857 2.857 2.766 2.716 2.716 2.699 2.637 2.593 2.525 2.426 2.392 2.381 2.231
Al
IreI
24 12 24 8 48 24 48 24 48 24 48 24 48 48 8 24
1.2 1.3 0.7 3.5 0.4 1.2 0.5 0.2 0.2 2.1 0.8 0.2 0.2 0.1 1.1 0.3
hkl 11 8 9 10 9 11 8 12 9 8 12 10 9 13
26, 1 8 7 6 7 3 8 0 7 8 3 8 7 3
1 0 1 0 3 3 4 0 5 6 2 2 7 1
40.43 41.28 41.79 42.62 43.11 43.11 43.92 43.92 45.65 47.04 47.04 47.64 49.28 49.28
d
Ad
IreI
2.231 2.187 2.161 2.121 2.098 2.098 2.062 2.062 1.987 1.932 1.932 1.909 1.849 1.849
24 12 48 24 48 24 24 6 48 24 48 48 24 48
0.1 0.3 0.1 0.1 0.2 0.3 0.6 0.1 0.1 0.2 0.2 0.6 0.2 0.2
FAU
Faujasite
a
Zeolites
16:323-802,
1996
447
FAU
Dehvdrated
Na-X
COMPOSITION: CRYSTAL
DATA:
Fd3 (No. 203) origin at centre (5) a = 25.099 i% b = 25.099 A c = 25.099 H, p = 90” a = 90” y = 90”
REFERENCE:
hkl 1 2 3 4 3 5 4 5 4 6 5 6 6 6 7 6 8
448
28 1 2 1 0 3 1 4 3 4 2 3 2 2 4 3 6 2
Zeolites
1 0 1 0 1 1 0 1 2 0 3 2 4 2 3 0 2
6.10 9.97 11.69 14.11 15.39 18.37 20.01 20.94 21.24 22.40 23.24 23.51 26.58 26.58 29.12 30.21 30.21
16:323-802,
D. H. Olson, Zeolites 15, 439-443 (1995).
M
d 14.491 8.874 7.568 6.275 5.758 4.830 4.437 4.242 4.183 3.968 3.828 3.784 3.354 3.354 3.066 2.958 2.958
8 12 24 6 24 24 12 24 24 12 24 24 24 24 24 12 24
1996
Ire1 100.0 12.7 8.0 0.1 11.1 0.4 2.4 0.4 0.2 0.2 7.7 0.5 2.0 2.8 0.6 0.4 0.5
h
k
1
20
d
5 8 8 7 7 6 9 9 8 7 8 6 10 7 11 8 9
5 0 4 3 5 6 1 3 4 5 2 6 2 7 1 8 1
5 4 0 5 3 4 3 1 4 5 6 6 2 5 1 0 7
30.85 31.89 31.89 32.50 32.50 33.49 34.07 34.07 35.03 35.59 36.51 37.23 37.23 39.83 39.83 40.67 41.16
2.898 2.806 2.806 2.755 2.755 2.676 2.631 2.631 2.562 2.523 2.461 2.415 2.415 2.263 2.263 2.218 2.193
Af
Ire1
h
k
1
20
d
M
Ire,
8 12 12 24 24 24 24 24 24 24 24 8 24 24 24 12 24
4.5 0.5 0.7 0.1 0.2 2.7 0.5 0.5 0.3 0.3 0.1 0.6 0.3 0.3 0.8 0.8 0.1
11 11 10 11 8 12 9 8 12 12 10 10 9 9 11 11 9
1 3 4 3 8 0 9 8 2 4 2 8 9 7 3 7 9
3 1 4 3 4 0 1 6 4 2 8 2 3 7 7 3 5
41.16 41.16 41.33 42.46 43.26 43.26 46.17 46.32 46.32 46.32 46.92 46.92 47.36 48.53 48.53 48.53 49.67
2.193 2.193 2.185 2.129 2.092 2.092 1.966 1.960 1.960 1.960 1.936 1.936 1.919 1.876 1.876 1.876 1.835
24 24 24 24 24 6 24 24 24 24 24 24 24 24 24 24 24
0.1 0.2 0.1 1.0 0.3 0.3 0.2 0.2 0.2 0.2 0.3 0.4 0.2 0.2 0.2 0.2 0.2
Dehydrated
FAU
Na-X
-5:
4 -% -7 i
-3i
4 -z
-z
-0
r
I
-0
Zeolites
16:323-802,
1996
449
FAU
Hydrated
COMPOSITION:
Nass(Si104Al8sO384).220H20
CRYSTAL
Fd3 (No. 203) origin at centre (3) a = 25.028 A b = 25.028 A c = 25.028 /i
DATA:
REFERENCE:
450
h
k
1 2 3 2 3 4 3 5 4 5 6 6 5 6 4 5 6 6 7 7
1 2 1 2 3 2 3 1 4 3 0 2 3 2 4 5 2 4 3 3
Zeolites
(Iy = 90”
p = 90”
D. H. Olson, J. Phys. Chem.
74, 2758-2764
1 1 0 1 2 1 2 3 1 0 1 2 0 3 2 4 1 4 2 1 3
Na-X
6.12 10.00 11.73 12.25 15.43 17.36 18.42 18.42 20.07 21.00 22.47 22.47 23.31 23.58 24.64 25.41 26.65 26.65 27.37 29.21
16:323-802,
14.450 8.849 7.546 7.225 5.742 5.109 4.817 4.817 4.424 4.231 3.957 3.957 3.817 3.773 3.612 3.505 3.345 3.345 3.258 3.058
1996
8 12 24 8 24 24 8 23 12 24 12 12 24 24 8 24 24 24 24 24
100.0 10.4 3.8 0.2 6.5 0.1 0.3 1.3 2.0 0.6 0.2 1.1 6.2 0.5 0.2 0.2 2.4 3.2 0.1 1.2
6 8 5 7 7 6 8 8 7 7 9 8 8 6 9 9 8 8 6 10
6 2 5 1 5 6 0 4 3 5 1 2 4 6 1 3 4 2 6 2
0 2 5 5 1 2 4 0 5 3 1 4 2 4 3 1 4 6 6 2
y = 90”
(1970)
2H
d
M
IreI
30.30 30.30 30.93 30.94 30.94 31.15 31.98 31.98 32.59 32.59 32.59 32.80 32.80 33.59 34.17 34.17 35.13 36.61 37.34 37.34
2.950 2.950 2.890 2.890 2.890 2.871 3.798 2.798 2.747 2.747 2.747 2.731 2.731 2.668 2.624 2.624 2.554 2.454 2.408 2.408
12 24 8 24 24 24 12 12 24 24 24 24 24 24 24 24 24 24 8 24
1.0 1.7 5.7 0.4 0.4 0.2 1.6 1.8 0.1 0.4 0.1 0.1 0.1 3.4 0.6 0.5 0.5 0.1 1.2 0.2
hkl 7
11 8 9 9 9 11 11 8 11 8 9 12 12 10 10 12 9 9 13
7 1 8 1 5 7 1 3 8 3 8 9 2 4 2 8 4 7 9 3
5 1 0 7 5 1 3 1 2 3 4 1 4 2 8 2 4 7 5 3
20
d
39.95 39.95 40.79 41.29 41.29 41.29 41.29 41.29 41.45 42.59 43.38 46.31 46.46 46.46 47.06 47.06 48.24 48.67 49.82 49.82
2.257 2.257 2.212 2.187 2.187 2.187 2.187 2.187 2.178 2.123 2.086 1.960 1.954 1.954 1.931 1.931 1.887 1.871 1.830 1.830
lff
Ire1
24 24 12 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24
0.3 0.2 1.1 0.2 0.1 0.2 0.3 0.3 0.1 0.6 0.3 0.2 0.2 0.3 0.2 0.4 0.2 0.2 0.2 0.1
Hydrated
FAU
Na-X
Zeolites
l&323-802,
1996
451
FAU
Dehvdrated
COMPOSITION:
H18.9(Si173.1Al18.90384)
CRYSTAL
Fd3m (No. 227) origin at centre (5m) a = 24.171 A b = 24.171 A c = 24.171 A a = 90” p = 90” y = 90”
DATA:
REFERENCE:
hkl 111 2 3 4 3 4 3 5 4 5 4 6 5 4
452
2 1 0 3 2 3 1 4 3 4 2 3 4
0 1 0 1 2 3 1 0 1 2 0 3 4
Zeolites
US-Y
28
d
6.33 10.35 12.14 14.66 15.98 17.98 19.08 19.08 20.79 21.75 22.06 23.27 24.14 25.53
13.955 8.546 7.288 6.043 5.545 4.934 4.652 4.652 4.273 4.086 4.029 3.822 3.686 3.489
16:323-802,
1996
J. B. Parke, D. R. Corbin, L. Abrams and D. E. Cox, Acta Cry&. C40, 1493-1497 (1984).
M 8 12 24 6 24 24 8 24 12 48 24 24 24 8
Ire1 100.0 1.1 1.1 1.4 3.3 1.4 0.2 3.9 2.1 0.3 0.6 0.8 6.7 0.2
hkl 5 6 7 6 6 8 5 7 6 8 7 9 8 6
5 4 3 4 6 2 5 5 6 4 5 1 4 6
1 2 3 4 0 2 5 1 2 0 3 1 2 4
28
d
26.33 27.62 30.27 30.50 31.40 31.40 32.07 32.07 32.29 33.15 33.78 33.78 33.99 34.82
3.385 3.230 2.953 2.931 2.849 2.849 2.791 2.791 2.773 2.702 2.653 2.653 2.637 2.577
iv 24 48 24 24 12 24 8 48 24 24 48 24 48 24
Ire1 0.2 2.6 0.2 0.2 0.9 0.7 1.2 0.6 0.2 0.8 0.9 0.2 0.5 1.1
h
k
1
219
d
M
IreI
9 7 10 9 8 8 9 11 9 10 8 8 10
3 5 2 5 6 8 5 3 7 6 8 8 8
1 5 0 3 4 0 5 1 3 2 4 6 2
35.43 37.00 37.96 40.00 40.18 42.30 42.82 42.82 44.17 44.34 45.00 48.21 48.84
2.534 2.429 2.370 2.254 2.244 2.136 2.112 2.112 2.050 2.043 2.014 1.887 1.865
48 24 24 48 48 12 24 48 48 48 24 24 48
1.2 0.5 0.2 0.2 0.7 0.3 0.1 0.2 0.3 0.2 0.4 0.3 0.2
Dehydrated
FAU
US-Y
Zeolites
16:323-602,
1996
453
FAU
Siliceous
COMPOSITION:
Si1920384
CRYSTAL
Fd3m (No. 227) origin at centre (3m) a = 24.703 A b = 24.703 .k c = 24.703 A p = 90” cy = 90” y = 90”
DATA:
REFERENCE:
hkl 1 2 3 4 3 4 3 5 4 5 4 6 5 4 5 6
454
20 1 2 1 0 3 2 3 1 4 3 4 2 3 4 5 4
Zeolites
1 0 1 0 1 2 3 1 0 1 2 0 3 4 1 2
Na-Y
6.31 10.31 12.10 14.61 15.93 17.91 19.01 19.01 20.71 21.67 21.98 23.19 24.06 25.44 26.24 27.52
16:323-802,
d 14.005 8.576 7.314 6.064 5.565 4.952 4.668 4.668 4.288 4.100 4.043 3.836 3.699 3.501 3.397 3.242
1996
.J. J. Hriljac, M. M. Eddy, A. K. Cheetham, J. Solid State Chem. 106. 66-72 (1993).
ill
I rel
hk:l2H
8 12 24 6 24 24 8 24 12 48 24 24 24 8 24 48
100.0
7 7 6 8 5 7 8 7 8 6 9 8 7 8 9 6
18.6 12.5 0.3 16.0 0.1 0.2 4.3 6.4 0.3 0.1 1.3 7.6 0.3 1.2 4.6
3 3 6 2 5 5 4 5 4 6 3 4 5 6 5 6
1 3 0 2 5 1 0 3 2 4 1 4 5 2 1 6
28.26 30.16 31.29 31.29 31.95 31.95 33.03 33.66 33.87 34.69 35.29 36.28 36.87 37.82 38.38 38.57
d
Iv
frel
3.158 2.964 2.859 2.859 2.801 2.801 2.712 2.663 2.647 2.586 2.543 2.476 2.438 2.379 2.345 2.334
48 24 12 24 8 48 24 48 48 24 48 24 24 48 48 8
0.2 1.5 1.9 0.7 4.4 0.5 1.2 0.5 0.1 2.4 1.0 0.3 0.2 0.2 0.1 1.1
.J. A. Donohue
hkl 8 7 11 8 9 10 9 11 10 8 12 9 8 12 10
20 6 7 1 8 7 6 7 3 6 8 0 7 8 4 8
4 5 1 0 1 0 3 3 2 4 0 5 6 2 2
40.03 41.28 41.28 42.14 42.66 43.51 44.01 44.01 44.18 44.84 44.84 46.61 48.03 48.03 48.65
and G. J. Ray,
d 2.252 2.187 2.187 2.144 2.119 2.080 2.057 2.057 2.050 2.022 2.022 1.948 1.894 1.894 1.872
AI
rrt4
48 24 24 12 48 24 48 24 48 24 6 48 23 48 48
0.2 0.2 0.4 0.6 0.1 0.1 0.1 0.5 0.2 0.7 0.3 0.1 0.2 0.1 1.1
Siliceous
FAU
Na-Y
-4 j I z t t
Zeolites
16:323-602,
he
1996
455
FER
Ferrierite
COMPOSITION:
CRYSTAL
(Na1,5Mgz)(Si30,5A15.~0~~).18H~O Kamloops Lake, British Columbia,
DATA:
Immm (No. 71) b = 14.127 A a = 19.156 A c! = 90” p = 90”
REFERENCE:
hkl 110 2 0 0 2 1 0 0 1 3 1 2 2 2 1 1 2 3 0 4 0 1 3 3 2 0 3 4 2 4 1 3 3 0 0 5 1 1 1 0 4 2 0 5 0 2 4 0 2 6 0 1 4 3 1 2 2 5 2 4 3 5 3 4 0
456
Zeolites
0 0 1 1 0 0 1 1 1 0 0 1 1 0 1 0 2 0 2 0 2 1 0 2 0 1 2 2 1 1 0 2
28
d
M
I El
11.370 9.578 7.064 6.975 6.617 5.819 5.685 5.444 4.963 4.859 4.789 4.573 4.003 3.986 3.964 3.880 3.790 3.745 3.698 3.557 3.532 3.487 3.411 3.314 3.308 3.193 3.151 3.149 3.127 3.071 3.064 2.972 2.950
4 2 2 4 4 4 4 8 8 4 2 4 8 4 4 8 4 2 4 8 2 4 4 4 4 2 8 8 8 8 8 4 4
58.8 100.0 9.2 13.7 7.9 26.1 2.5 0.2 5.5 0.5 2.2 1.8 26.2 7.7 21.1 15.0 16.8 3.6 6.7 15.7 29.2 35.6 6.1 6.8 0.6 1.2 1.6 13.5 1.8 9.2 0.1 7.6 2.3
1996
c = 7.489 A y = 90”
P. A. Vaughan, Acta Cryst. 21, 983~-990 (1966).
7.78 9.23 12.53 12.69 13.38 15.23 15.59 16.28 17.87 18.26 18.53 19.41 22.21 22.30 22.43 22.92 23.47 23.76 24.07 25.04 25.22 25.54 26.13 26.91 26.95 27.95 28.32 28.34 28.54 29.07 29.15 30.07 30.30
16:323-802,
Canada.
h k 6 1 6 3 4 1 4 7 0 5 3 7 0 6 2 1 6 7 8 6 7 1 3 4 6 2 5 8 4 8 1 I 4
2 3 1 4 4 5 2 1 5 1 5 0 4 3 4 0 0 2 0 4 3 2 0 5 2 6 5 2 4 1 5 6 1
1
20
0 2 1 1 0 0 2 0 1 2 0 1 2 1 2 3 2 1 0 0 0 3 3 1 2 0 0 0 2 1 2 1 3
30.73 30.86 31.10 31.31 31.47 32.02 32.90 33.35 33.91 34.08 34.72 34.91 34.92 36.04 36.20 36.29 37.00 37.22 37.56 37.99 38.03 38.54 38.73 38.91 39.21 39.41 39.63 39.75 39.81 40.04 40.26 40.43 41.28
d 2.909 2.897 2.875 2.857 2.842 2.795 2.722 2.687 2.643 2.631 2.584 2.570 2.569 2.492 2.482 2.475 2.430 2.415 2.394 2.368 2.366 2.336 2.325 2.314 2.297 2.286 2.274 2.268 2.264 2.252 2.240 2.231 2.187
111 I,,, 4 8 8 8 4 4 8 4 4 8 4 4 4 8 8 4 4 8 2 4 4 8 4 8 8 4 4 4 8 8 8 8 8
0.2 5.1 0.8 0.2 0.8 0.4 3.6 0.9 4.2 0.7 2.8 0.7 1.1 0.8 1.3 0.2 2.8 0.6 0.2 0.2 3.3 0.6 0.2 2.2 0.4 0.2 0.2 0.3 1.1 0.7 0.8 0.1 0.7
hkl 7 2 3 3 4 9 9 6 1 8 1 5 6 7 0 8 9 0 6 5 3 8 9 5 3 10 0 1 4 2 2
1 3 5 6 6 1 0 5 4 0 7 2 4 3 6 4 2 7 1 5 4 2 3 6 7 0 0 1 6 0 5
2 3 2 1 0 0 1 1 3 2 0 3 2 2 2 0 1 1 3 2 3 2 0 1 0 0 4 4 2 4 3
28
d
41.36 42.04 42.51 42.67 42.80 42.97 44.24 44.49 44.70 44.93 45.18 45.21 45.30 45.34 45.51 45.78 46.16 46.61 46.63 46.74 46.78 46.83 46.84 46.89 47.23 47.46 48.63 49.33 49.53 49.61 49.65
2.183 2.149 2.127 2.119 2.113 2.105 2.047 2.036 2.027 2.017 2.007 2.005 2.002 2.000 1.993 1.982 1.966 1.949 1.948 1.944 1.942 1.940 1.940 1.938 1.924 1.916 1.872 1.847 1.840 1.837 1.836
M 8 8 8 8 4 4 4 8 8 4 4 8 8 8 4 4 8 4 8 8 8 8 4 8 4 2 2 8 8 4 8
Id 0.2 1.9 0.4 0.6 2.5 0.5 1.4 0.7 0.2 0.5 0.2 3.1 1.8 0.3 0.2 1.2 1.5 1.7 0.6 0.2 0.2 0.1 2.0 0.2 2.3 0.3 5.7 0.4 0.3 0.3 0.4
FER
Ferrierite
Zeolites
16:323-802,
1996
467
FER
Siliceous
COMPOSITION:
CRYSTAL
S&,072 Dealuminated,
DATA:
k
1
26’
1 0
1
7.86 9.45 12.58 12.83 13.49 14.30 15.53 15.76 16.50 17.37 18.01 18.96 19.51 19.81 22.43 22.50 22.82 23.34 23.73 23.99 24.60 24.82 25.28 25.32 25.83 25.83 26.61 26.67 27.08 27.17 27.42 27.60 28.48 28.61 28.70 28.83
0 2 0 1 111 1 2 112 2 2 0 3 2 3 2 2 114 3 0 10 12 121 4 2 0 12 0 4 2 115 2 4 0 12 2
458
0 0 1 1
2 0 1 0
0 0
3 2
10 11 0 0 12 1 1 0 0 2
4 1 0 3 4 3 0 5 0
0 0 14 2 2 2 1 5 0 2 2 0 2 1 11 0 6 3 2 2
Zeolites
16:323-802,
d 11.248 9.360 7.035 6.898 6.563 6.194 5.704 5.624 5.374 5.105 4.925 4.680 4.550 4.482 3.964 3.951 3.897 3.810 3.749 3.710 3.618 3.587 3.523 3.518 3.450 3.449 3.350 3.343 3.293 3.282 3.252 3.232 3.134 3.120 3.110 3.097
1996
synthetic
powder.
Pnnm (No. 581 a = 14.b7025 i b = 7.41971 A ,B = 90” o! = 90”
REFERENCE:
h
ferrierite
c = 18.720 A y = 90”
R. E. Morris, S. J. Weigel, N. J. Henson, in press (1994).
n/f
I i-d
h
k
4 2 2 4 4 8 4 4 8 4 8 2 4 8 4 8 4 8 4 2 4 4 8 2 8 4 8 4 4 4 8 8 8 2 8 8
1.9 100.0 16.2 28.3 13.5 0.1 5.1 7.1 1.1 0.3 0.6 3.8 0.3 0.1 5.1 12.9 8.8 7.1 11.9 3.7 5.3 0.2 7.7 15.2 0.6 16.4 0.5 3.3 5.9 0.2 0.4 0.1 0.7 0.5 8.2 0.9
2 4 3 3 0 3 2 1 1 4 3 2 3 5 4 1 5 4 4 0 4 0 3 1 0 2 1 1 0 4 3 5 6 2 5 4
1 1 0 2 2 2 0 2 1 0 2 2 2 1 1 2 0 2 2 1 2 3 1 3 2 1 3 2 0 0 0 1 0 2 0 2
1 5 2 5 0 4 1 6 4 6 4 2 4 3 0 4 5 3 0 1 7 2 1 6 0 6 7 2 6 8 6 7 4 2 6 5 4
L. M. Bull and A. K. Cheetham,
28
d
M
IreI
h
k
1
20
d
29.59 29.68 30.55 30.73 30.75 31.11 31.36 31.42 31.75 31.82 32.22 33.35 34.00 34.07 34.10 34.63 34.98 35.16 35.49 35.69 36.48 36.65 36.65 36.90 37.67 37.98 38.18 38.23 38.47 38.57 38.76 39.28 39.62 39.87 40.08 40.24
3.019 3.010 2.926 2.910 2.907 2.875 2.852 2.847 2.818 2.812 2.778 2.687 2.637 2.631 2.629 2.590 2.565 2.553 2.529 2.516 2.463 2.452 2.452 2.436 2.388 2.369 2.357 2.354 2.340 2.334 2.323 2.294 2.275 2.261 2.249 2.241
8 8 4 4 4 8 4 8 8 4 8 8 8 4 8 8 4 4 8 4 8 4 8 4 4 8 8 8 2 4 ‘I 8 4 8 4 8
4.2 0.1 2.5 0.2 1.0 1.9 0.3 0.1 0.6 0.1 0.3 1.3 0.1 2.1 0.2 0.5 1.0 0.5 0.1 0.6 1.0 0.5 0.8 0.4 1.5 0.6 0.1 0.2 0.2 0.2 1.1 0.8 0.3 0.5 0.3 0.4
6 5 3 1 1 3 3 2 5 6 6 6 4 5 0 6 2 0 4 6 3 1 4 7 2 4 5 1 6 7 2 3 4 0 1 6
1 2 1 1 3 3 2 1 2 1 0 1 3 1 1 2 3 2 2 2 2 2 0 1 1 3 2 3 1 0 2 0 1 4 4 2
0 1 7 8 4 2 6 8 3 3 4 4 1 6 9 0 5 8 6 1 7 8 8 0 9 3 5 6 5 3 8 9 8 0 0 4
40.33 40.52 40.70 40.94 41.80 42.43 42.48 42.50 42.86 42.97 43.15 44.93 45.07 45.07 45.28 45.77 45.82 45.85 45.93 46.04 46.10 46.32 46.62 46.83 47.18 47.23 47.25 47.34 47.35 47.52 47.74 47.84 48.30 49.11 49.57 49.97
2.236 2.226 2.217 2.204 2.161 2.130 2.128 2.127 2.110 2.105 2.097 2.018 2.012 2.011 2.003 1.982 1.980 1.979 1.976 1.971 1.969 1.960 1.948 1.940 1.926 1.925 1.924 1.920 1.920 1.913 1.905 1.901 1.884 1.855 1.839 1.825
AJf IreI 4 8 8 8 8 8 8 8 8 8 4 8 8 8 4 4 8 4 8 8 8 8 4 4 8 8 8 8 8 4 8 4 8 2 4 8
0.2 0.8 0.3 0.1 0.3 1.0 0.1 0.1 0.1 0.1 0.9 0.1 0.1 1.0 0.9 0.2 2.1 0.5 1.2 0.1 0.1 0.2 0.3 1.0 0.6 0.2 0.2 0.2 0.4 2.2 0.1 1.8 0.1 2.4 0.3 0.2
Siliceous
FER
ferrierite
\
Zeolites
16:323-602,
1996
459
GIS
Gismondine COMPOSITION:
Cas.ss (Sis.sA17.2032). 17.2H20 Hohenberg, Buhne, Westfalia.
CRYSTAL
P1121/a (No. a = 9.843 A 05= 90”
DATA:
REFERENCE
hkl 0 0 1 1 1 0 0 2 0 1 0 2 2 2 1 1 1 2 1 2 0 2 2 1 2 2 2 1 2 0 0 1 2 0 3 1 3 1 2 0 2 2 0 2 3 460
1 1 0 -1 1 0 2 0 1 0 2 -1 0 1 -1 1 -2 -1 2 1 2 0 -2 -2 2 -1 -2 2 1 3 1 0 2 3 0 -3 -1 3 -2 2 2 0 3 -3 0 Zeolites
0 1 1 1 1 2 0 0 2 2 1 0 1 0 2 2 1 1 1 1 2 2 0 2 0 2 1 2 2 0 3 3 1 1 1 1 1 1 2 3 2 3 2 0 2
K. F. Fischer and V. Schramm, In “Molecular Sieve Zeolites - I (ACS Adv. Chem. Ser. No. lOl)“, Flanigen, E. M., Sand, L. B., Eds. American Chemical Society: Washington, DC; pp. 250-258 (1971).
20
d
M
I rel
hkl
8.83 12.15 12.27 14.91 15.36 16.70 17.71 18.04 18.92 19.00 19.60 19.78 19.90 20.45 20.82 21.15 21.28 21.49 21.92 22.12 24.44 24.68 24.84 25.82 25.93 25.99 26.24 26.35 26.52 26.71 26.72 26.77 27.28 28.02 28.50 29.13 29.54 29.84 30.08 30.94 31.00 31.14 31.66 31.76 32.09
10.014 7.284 7.214 5.941 5.769 5.308 5.007 4.917 4.690 4.671 4.529 4.489 4.462 4.342 4.266 4.201 4.174 4.135 4.055 4.019 3.642 3.607 3.585 3.450 3.437 3.428 3.396 3.382 3.361 3.338 3.337 3.330 3.269 3.184 3.132 3.066 3.024 2.994 2.971 2.890 2.885 2.872 2.826 2.818 2.789
2 4 4 4 4 2 2 2 4 4 4 2 4 2 4 4 4 4 4 4 4 4 2 4 2 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4
5.6 69.0 23.5 8.5 21.1 3.1 16.4 76.7 0.7 14.9 1.2 6.2 10.9 3.8 100.0 39.3 28.7 5.4 24.0 6.9 4.9 3.7 4.6 2.5 0.4 10.2 1.4 3.7 4.2 0.4 19.1 18.8 1.0 86.4 69.1 1.3 5.0 13.3 0.6 0.6 0.1 2.2 1.8 4.8 2.5
2 1 2 1 2 3 2 3 1 3 0 2 3 0 I 2 0 1 2 1 3 2 4 0 0 3 4 1 4 3 4 0 1 1 2 3 3 1 2 1 2 0 4 4 1
16:323-802,
1996
14) unique axis c, cell choice 1 c = 10.616 A b = 10.023 k p = 90” y = 92.417”
-1 2 1 -3 -3 -1 3 -2 3 1 0 3 2 1 0 -2 4 -1 -3 1 -2 2 0 4 3 0 0 -4 1 -1 -1 2 4 3 0 -3 1 -2 -1 2 -4 4 -2 0 -4
3 3 3 2 1 2 0 1 2 2 4 1 1 4 4 3 0 4 2 4 2 3 0 1 3 3 1 1 0 3 1 4 1 3 4 1 3 4 4 4 0 2 0 2 2
20
d
M
I El
h
k
1
20
d
M
Ire,
32.21 32.50 32.64 32.66 32.89 33.03 33.06 33.12 33.30 33.66 33.77 34.16 34.38 34.97 35.02 35.65 35.87 36.09 36.09 36.28 36.30 36.44 36.55 36.89 37.02 37.39 37.55 37.66 38.05 38.22 38.28 38.39 38.42 38.46 38.55 38.62 38.78 39.32 39.44 39.69 39.70 39.81 40.17 40.43 40.54
2.779 2.755 2.743 2.742 2.723 2.712 2.709 2.705 2.691 2.662 2.654 2.625 2.609 2.565 2.562 2.518 2.504 2.489 2.489 2.476 2.475 2.465 2.459 2.437 2.428 2.405 2.395 2.388 2.365 2.355 2.351 2.345 2.343 2.341 2.336 2.331 2.322 2.291 2.285 2.271 2.270 2.264 2.245 2.231 2.225
4 4 4 4 4 4 2 4 4 4 2 4 4 4 4 4 2 4 4 4 4 4 2 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 2 4 2 4 4
3.6 2.8 6.7 49.6 9.1 47.6 4.5 6.2 58.4 23.3 39.1 18.2 7.5 0.3 4.2 9.9 2.5 2.9 0.4 1.0 2.5 4.7 2.3 0.2 1.9 9.3 2.6 5.6 0.9 0.2 2.8 1.1 0.2 0.4 8.9 1.4 0.1 2.5 0.1 4.9 0.7 2.8 6.5 1.1 0.1
2 4 4 3 2 1 4 4 2 2 3 2 2 0 1 3 3 0 1 1 3 1 2 1 4 1 3 0 3 4 1 4 3 0 4 2 4 5 2 3 1 3 3 1 5
-4 -2 -1 -2 4 4 2 1 3 4 2 -2 2 1 0 -2 0 4 -3 -1 -1 1 4 3 -3 -4 1 5 -4 -1 4 -3 -3 5 1 0 3 0 -3 -2 -2 3 4 5 -1
1 1 2 3 0 2 0 2 3 1 3 4 4 5 5 2 4 3 4 5 4 5 2 4 0 3 4 0 1 3 3 1 3 1 3 5 0 1 4 4 5 3 1 1 1
40.64 41.10 41.11 41.13 41.14 41.25 41.60 41.82 42.00 42.05 42.19 42.X7 -13.06 43.57 43.61 43.79 43.89 44.32 44.33 44.50 44.61 44.67 44.69 44.83 44.85 44.99 45.11 45.28 45.46 45.52 45.65 45.70 45.82 46.12 46.17 46.59 46.81 46.98 47.04 47.21 47.26 47.26 47.39 47.49 47.51
2.220 2.196 2.195 2.194 2.194 2.188 2.171 2.160 2.151 2.149 2.142 2.133 2.100 2.077 2.075 2.067 2.063 2.044 2.043 2.036 2.031 2.029 2.027 2.022 2.021 2.015 2.010 2.003 1.995 1.993 1.987 1.985 1.981 1.968 1.966 1.949 1.941 1.934 1.932 1.925 1.923 1.923 1.918 1.915 1.914
4 4 4 4 2 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 2 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4
0.6 1.2 2.7 0.4 8.6 1.1 1.5 0.9 4.5 0.9 0.6 5.8 5.9 4.7 0.3 0.2 1.1 2.1 5.9 0.4 8.4 0.2 1.4 0.4 0.4 1.7 8.0 1.7 0.6 0.6 0.3 2.7 0.7 6.2 1.2 0.2 0.2 8.1 0.3 0.3 1.4 0.5 3.8 1.2 3.2
Gismondine
Zeolites
16:323-602,
1996
461
GIS
Amicite
(Na3.6K3.76)(Si8A18032).9.86H20
COMPOSITION:
Hoewenneg, Hegau, Germany. CRYSTAL
DATA:
REFERENCE:
462
h
k
1 1 0 -1 0 2 0 1 2 -1 1 -2 -1 2 2 0 -2 1 0 3 3 -3 1 0 -1 2 -2 2 3 1 -2 3
1 0 1 0 2 0 0 2 1 2 1 1 1 2 0 2 0 3 3 0 1 0 0 1 0 2 2 3 2 3 3 1
Zeolites
1 0 1 1 1 0 0 2 1 1 1 2 1 2 0 2 2 2 0 1 1 0 1 3 3 3 2 2 1 1 2 1 2
A. Alberti and G. Vezzalini, Acta Cryst. B35, 2866.-2869 (1979).
20
d
ill
Irel
12.13 12.27 12.34 12.64 17.01 17.35 17.96 21.03 21.13 21.25 21.51 21.57 21.94 24.39 24.69 24.83 25.44 27.11 27.21 27.44 27.54 27.95 28.22 28.42 28.72 30.14 30.77 32.30 32.46 32.56 32.60 32.64
7.298 7.211 7.170 7.002 5.211 5.111 4.940 4.223 4.204 4.180 4.131 4.120 4.052 3.649 3.605 3.585 3.501 3.289 3.277 3.251 3.238 3.192 3.162 3.140 3.108 2.965 2.906 2.771 2.758 2.750 2.747 2.744
4 2 4 2 2 2 2 4 4 4 4 4 4 4 2 4 2 4 4 2 4 2 2 4 2 4 4 4 4 4 4 4
100.0 0.8 21.7 2.7 3.8 67.1 54.7 96.4 6.9 53.0 3.6 11.7 8.8 8.7 0.3 5.7 0.2 26.8 2.9 1.0 49.2 0.2 0.2 89.4 2.1 9.6 0.4 7.0 36.6 1.7 0.7 13.4
16:323-602,
1996
1121 (No. 5) unique axis b, cell choice 3 a = 10.226 A b = 10.422 A c = 9.884 A a: = 90” D = 88.315” y = 90”
hkl -1 -3 2 1 -3 -1 -2 0 0 1 3 4 3 -4 0 1 -3 -1 2 0 4 2 -4 0 3 2 3 -3 -2 -3 2 4
28 3 2 1 2 1 2 1 4 0 4 3 1 0 1 3 1 0 1 4 4 2 0 0 2 3 3 2 3 3 2 4 2
2 1 3 3 2 3 3 0 4 1 0 1 3 1 3 4 3 4 0 2 0 4 2 4 2 3 3 2 3 3 2 2
32.85 32.90 33.06 33.14 33.51 33.57 33.92 34.42 36.37 36.67 36.95 37.10 37.42 37.62 37.63 38.22 38.57 38.73 38.79 39.09 39.27 40.07 40.21 40.41 41.01 41.36 41.37 41.73 42.08 42.44 42.82 43.03
d 2.726 2.722 2.710 2.703 2.674 2.669 2.643 2.606 2.470 2.450 2.432 2.423 2.403 2.391 2.390 2.355 2.334 2.325 2.321 2.305 2.294 2.250 2.243 2.232 2.201 2.183 2.182 2.164 2.148 2.130 2.112 2.102
-41
Ire1
4 4 4 4 4 4 4 2 2 -1 4 4 2 4 4 4 2 4 4 4 4 2 2 4 4 4 4 4 4 4 4 4
11.5 85.8 5.3 58.0 21.2 7.6 2.9 39.7 7.2 1.6 0.4 10.8 0.2 0.5 4.1 4.3 0.6 7.9 0.5 7.0 3.9 6.3 5.6 1.6 1.4 1.9 0.5 2.5 0.3 0.2 12.2 0.9
hkl -2 2 -4 1 0 3 -2 4 -3 5 1 5 -4 -1 3 -5 -1 -4 0 -3 2 1 -1 5 5 -5 -5 2 1 4
219 4 2 2 5 5 4 2 3 4 0 4 1 3 4 1 0 3 1 1 1 5 5 5 2 1 2 1 1 2 4
2 4 2 0 1 1 4 1 1 1 3 0 1 3 4 1 4 3 5 4 1 2 2 1 2 1 2 5 5 0
43.29 43.83 43.95 44.35 44.42 44.57 44.74 44.76 44.90 45.02 45.09 45.20 45.21 45.42 45.56 45.58 46.17 46.44 46.79 46.88 47.92 48.11 48.32 48.46 48.48 48.99 49.53 49.76 49.92 49.99
d
M
I rel
2.090 2.066 2.060 2.042 2.039 2.033 2.026 2.025 2.018 2.014 2.011 2.006 2.006 1.997 1.991 1.990 1.966 1.955 1.941 1.938 1.898 1.891 1.883 1.878 1.878 1.859 1.840 1.832 1.827 1.824
4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4
11.4 0.2 0.2 0.7 0.3 3.0 2.0 5.3 0.4 0.7 1.6 4.9 0.8 5.3 0.9 2.3 0.8 0.2 4.9 1.9 0.4 0.2 1.2 5.3 3.6 2.2 1.4 0.4 3.9 14.0
GIS
Amicite r
II
Zeolites
16:323-602,
1996
463
GIS
Garronite
COMPOSITION:
(N~.8Ca2.82)(Silo.4A15.fi032).12.08H20 Goble, Oregon, U.S.A.
CRYSTAL
I?fm2 (No. 119) a = 9.9266 A b = 9.9266 L%
DATA:
o! = 90” REFERENCE:
464
G. Artioli, Am. Mineral.
h
k
1
28
d
M
Ire1
hkl
1 1 0 2 1 2 2 2 1 3 3 2
0 1 0 0 1 1 0 2 0 0 1 1
1 0 2 0 2 1 2 0 3 1 0 3
12.38 12.61 17.21 17.87 21.39 21.80 24.91 25.38 27.48 28.33 28.43 32.97
7.149 7.019 5.152 4.963 4.153 4.077 3.574 3.510 3.246 3.150 3.139 2.716
8 4 2 4 8 16 8 4 8 8 8 16
100.0 0.9 1.2 54.1 63.4 16.6 0.4 0.8 41.3 96.3 3.5 4.8
3 3 0 4 1 3 4 3 2 4 4 3
Zeolites
16:323-802,
1996
p = 90”
1 2 0 0 1 0 1 3 0 0 2 2
c = 10.3031 A y = 90”
77, 189-196 (1992).
2 1 4 0 4 3 1 0 4 2 0 3
20
d
AJ
Ire1
h.kl
33.43 33.70 34.83 36.20 37.18 37.75 38.40 38.47 39.41 40.34 40.65 42.06
2.681 2.660 2.576 2.482 2.418 2.383 2.344 2.340 2.286 2.236 2.220 2.148
16 16 2 4 8 8 16 4 8 8 8 16
63.2 6.0 8.3 0.7 0.3 0.3 1.0 0.5 0.2 0.7 2.2 0.6
3 2 4 1 3 4 4 5 5 2
3 2 2 0 1 1 3 0 1 1
2 4 2 5 4 3 1 1 0 5
20
d
M
Ire1
42.43 43.58 44.44 44.93 45.55 46.04 46.59 46.59 46.66 48.72
2.130 2.077 2.038 2.018 1.991 1.971 1.950 1.950 1.947 1.869
8 8 16 8 16 16 16 8 8 16
2.4 5.4 0.4 1.3 4.3 0.9 0.3 5.7 0.2 0.1
GIS
Garronite
-3
-s
-0
m
Q 5 c cu
:
J -7 -s
I
-J
-0
r
LO
Zeolites
16:323-802,
1996
466
GIS
Gobbinsite
COMPOSITION:
(Cao.GNaz.sKz.;?) (SilOA16032) .12HzO Antrim District, Northern Ireland.
CRYSTAL
Pmn21 (No. 31) a = 10.108 A b = 9.766 A u: = 90” p = 90”
DATA:
L. B. McCusker and Ch. Baerlocher, Z. Kristallogr. 171, 281-289 (1985).
REFERENCE
466
h
lc
1
20
d
AJ
I rel
h
k
0
1
0
1 0 1 1 0 2 0 0 2 0 1 1 2 1 2 0 2 1 2 0 1 0 3 3 0 1 1 3 1 2 0 3
0 1 1 1 0 0 2 1 1 2 2 1 1 2 0 2 2 2 2 3 0 1 0 1 3 3 1 1 3 2 2 2
1 1 0 1 2 0 0 2 0 1 0 2 1 1 2 2 0 2
9.05 12.35 12.57 12.60 15.33 17.44 17.55 18.17 19.68 19.78 20.17 20.20 21.57 21.64 22.02 24.84 25.29 25.36 26.80 26.86 27.40 27.75 27.85 27.89 28.01 28.79 28.81 29.25 29.38 30.15 30.94 32.14 32.28
9.766 7.170 7.044 7.023 5.779 5.086 5.054 4.883 4.511 4.489 4.402 4.397 4.119 4.107 4.036 3.585 3.522 3.512 3.326 3.319 3.255 3.214 3.203 3.198 3.185 3.100 3.099 3.053 3.039 2.964 2.890 2.785 2.773
2 4 4 4 8 2 2 2 4 4 4 4 8 8 8 4 4 4 8 8 2 4 4 4 4 4 4 8 8 8 8 4 4
2.4 51.0 72.1 6.3 8.8 5.8 29.7 21.1 1.1 0.3 6.9 4.4 100.0 14.4 14.0 1.2 4.4 0.9 17.8 4.7 1.1 54.0 4.4 82.8 1.7 84.1 6.1 3.1 6.7 7.5 3.4 2.0 0.6
0 2 2 3 1 3 1 2 0 4 0 2 3 2 1 4 0
3 3 1 1 2 2 3 3 0 0 1 2 2 3 1 1 4
2 0 3 2 3 1 2 1 4 0 4 3 2 2 4 1 1
0 3 3
3 3
3 0
1 4 3 0 0 2 2 1 1 2 4 4 2 4
3 1 1 4 2 4 0 4 2 4 2 0 1 2
1 0 3 3 1 0 1 0 3 1 1 2 3 0
Zeolites
16:323-802,
c = 10.171 A y = 90”
1996
1 3 2 4 0 4 2 4 1 0 2 4 1
1
28
d
Ai
I rcl
h
k
1
32.66 32.72 33.11 33.19 33.37 33.49 33.88 33.92 35.30 35.52 36.51 36.85 36.92 37.31 37.62 37.82 37.90 38.33 38.45 38.79 38.97 39.50 39.68 39.83 39.98 40.18 40.78 40.94 41.00 41.01 41.06 41.19 42.01
2.742 2.737 2.705 2.699 2.685 2.675 2.646 2.643 2.543 2.527 2.461 2.439 2.435 2.410 2.391 2.379 2.374 2.348 2.341 2.321 2.311 2.282 2.272 2.263 2.255 2.244 2.212 2.205 2.201 2.201 2.198 2.192 2.151
4
6.6 2.5 0.8 12.5 7.7 8.8 21.3 2.9 18.7 1.8 0.1 2.3 3.3 0.7 0.7 5.0 3.9 2.6 0.2 0.4 0.8 1.1 2.0 1.1 3.3 0.5 3.6 0.4 1.0 0.6 4.4 0.3 2.3
2 3 2 3 2 4 2 0 1 0 3 4 5 0 1 1 0 1 5 3 3 0 1 0 3 4 5 2 4 2 5 3 5
4 2 3 3 2 2 4 3 0 1 1 1 0 4 3 1 5 4 1 4 3 5 5 2 2 2 2 3 3 1 1 4 2
1 3 3 2 4 2 2 4 5 5 4 3 1 3 4 5 0 3 1 1 3 1 1 5 4 3 0 4 2 5 2 2 1
8
4 8 8 4
4 8
20
d
42.05 42.09 42.45 42.51 43.96 44.11 44.92 45.25 45.48 45.55 45.65 45.73 45.76 45.80 46.18 46.48 46.49 46.72 46.75 46.81 47.18 47.39 48.29 48.48 48.58 48.65 48.75 48.89 49.02 49.17 49.40 49.46 49.62
2.149 2.147 2.130 2.127 2.059 2.053 2.018 2.004 1.994 1.992 1.987 1.984 1.983 1.981 1.966 1.954 1.953 1.944 1.943 1.941 1.926 1.918 1.884 1.878 1.874 1.871 1.868 1.863 1.858 1.853 1.845 1.843 1.837
iv IreI 8 8 8 8 8 8 8 4 4 4 8 8 4 4 8 8 2 8 8 8 8 4 8 4 8 8 4 8 8 8 8 8 8
4.6 0.6 2.7 1.5 4.2 1.5 0.5 1.9 1.1 1.3 1.5 3.2 2.7 1.5 7.0 0.2 0.2 1.9 0.4 2.3 1.8 4.4 0.3 1.1 0.1 1.1 0.1 0.8 1.5 0.2 3.1 2.5 0.3
Gobbinsite
-3
Zeolites
16:323-802,
1996
467
GIS
Di-n-propylamine
COMPOSITION:
(A16Mg2Ps032).2NC6H16
CRYSTAL
Ill 2/b (No. 15) unique axis c, cell choice 3 a = 10.2192 A b = 10.2198 A c = 10.0126 H, 0. = 90” p = 90” y = 90.987”
DATA:
REFERENCE:
hkl 0 1 0 2 1 2 1 2 1 1 2 2 0 2 0 3 0 1 2 3 1 3 2 3 1 3
468
1 0 2 0 -2 -1 2 1 -1 1 -2 2 2 0 3 0 1 0 -3 -2 -3 -1 3 2 3 1
Zeolites
1 1 0 0 1 1 1 1 2 2 0 0 2 2 1 1 3 3 1 1 2 2 1 1 2 2
MAPO-43
J. J. Pluth, J. V. Smith and J. M. Bennett, J. Am. Chem. Sot. 111, 1692-1698 (1989).
28
d
M
I rel
h
k
1
20
d
M
Ire1
h
k
1
28
12.38 12.38 17.36 17.36 21.25 21.25 21.50 21.50 21.53 21.66 24.43 24.86 24.90 24.90 27.66 27.66 28.13 28.13 32.59 32.59 32.87 32.87 33.09 33.09 33.12 33.12
7.152 7.151 5.109 5.109 4.181 4.181 4.134 4.134 4.127 4.104 3.644 3.582 3.576 3.576 3.225 3.224 3.173 3.173 2.747 2.747 2.725 2.725 2.707 2.707 2.705 2.705
4 4 2 2 4 4 4 4 4 4 2 2 4 4 3 4 4 4 4 4 4 4 4 4 4 4
100.0 98.8 22.4 21.7 2.8 3.0 17.2 17.6 81.9 26.4 5.4 0.5 0.3 0.2 72.8 73.9 14.8 15.3 0.6 0.6 13.8 13.5 1.1 1.2 10.9 10.6
1 2 1 2 0 4 0 1 4 1 4 0 3 2 4 0 4 0 2 3 3 2 4 2 4 2
-2 -1 2 1 4 0 0 -4 -1 4 1 3 0 -4 -2 4 0 2 0 -3 3 -4 -2 4 2 -2
3 3 3 3 0 0 4 1 1 1 1 3 3 0 0 2 2 4 4 2 2 2 2 2 2 4
33.16 33.16 33.32 33.32 35.13 35.13 35.87 37.23 37.23 37.53 37.53 37.74 37.74 39.15 39.15 39.61 39.61 40.11 40.11 41.31 41.92 43.28 43.28 43.80 43.80 43.88
2.702 2.702 2.689 2.689 2.555 2.554 2.503 2.415 2.415 2.397 2.396 2.384 2.384 2.301 2.301 2.276 2.275 2.248 2.248 2.186 2.155 2.091 2.090 2.067 2.067 2.063
4 4 4 4 2 2 2 4 4 4 4 4 4 2 2 4 4 4 4 4 4 4 4 4 4 4
0.9 0.9 3.7 3.6 0.3 0.3 6.0 1.0 0.9 0.5 0.5 0.2 0.2 0.3 0.4 1.8 1.6 0.1 0.2 3.3 3.9 0.2 0.2 0.9 0.8 1.1
2 0 5 1 4 4 1 4 1 3 1 3 0 1 2 5 1 5 1 5 2 5 1 1 2
2 5 0 -4 -1 3 4 1 -3 -1 3 1 1 0 -5 -2 -5 -1 5 1 5 2 -2 2 1
4 1 1 3 3 1 3 3 4 4 4 4 5 5 1 1 2 2 2 2 1 1 5 5 5
44.14 45.29 45.29 45.46 45.47 45.67 45.72 45.72 45.76 45.76 45.95 45.95 46.19 46.19 48.55 48.55 48.81 48.81 49.11 49.11 49.15 49.15 49.65 49.77 49.77
16:323-802,
1996
d 2.052 2.002 2.002 1.995 1.995 1.987 1.985 1.985 1.983 1.983 1.975 1.975 1.965 1.965 1.875 1.875 1.866 1.866 1.855 1.855 1.854 1.854 1.836 1.832 1.832
M
Ire,
4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4
1.6 2.2 2.2 4.5 4.4 0.1 1.5 1.5 0.8 0.8 0.4 0.4 0.6 0.5 0.2 0.2 1.2 1.1 0.7 0.6 0.3 0.2 0.1 0.1 0.1
Di-n-propylamine
GIS
MAPO-43
Zeolites
16:323-802,
1996
469
GIS
Na-Pl COMPOSITION:
Nae(SilOA16032).12H20
CRYSTAL
I?t (No.
DATA:
82)
a = 10.043 A Q = 90”
REFERENCE:
hkl 1 1 0 2 1 1 2 2 2 1 3 3 2 1 1 2
470
0 1 0 0 1 2 1 0 2 0 0 1 2 2 3 1
Zeolites
1 0 2 0 2 1 1 2 0 3 1 0 2 3 2 3
d
M
I rel
12.46 12.46 17.66 17.66 21.67 21.67 21.67 25.08 25.08 28.10 28.10 28.10 30.84 33.38 33.38 33.38
7.101 7.101 5.022 5.022 4.100 4.100 4.100 3.551 3.551 3.176 3.176 3.176 2.899 2.684 2.684 2.684
8 4 2 4 8 8 8 8 4 8 8 4 8 8 8 8
92.1 1.0 2.7 60.6 66.1 7.0 13.3 0.8 1.1 34.9 100.0 1.6 9.0 7.5 12.7 3.5
1996
c = 10.043 A y = 90”
Ch. Baerlocher and W. M. Meier, Z. Kristallogr. 135, 339-354 (1972).
26’
16:323-602,
b = 10.043 A p = 90”
hkl 2 3 3 0 1 1 3 3 4 2 4 4 2 3 3 2
3 1 2 0 1 4 0 3 1 0 0 2 3 2 3 2
1 2 1 4 4 1 3 0 1 4 2 0 3 3 2 4
20
d
M
IreI
hkl
33.38 33.38 33.38 35.76 38.01 38.01 38.01 38.01 38.01 40.15 40.15 40.15 42.20 42.20 42.20 44.18
2.684 2.684 2.684 2.511 2.367 2.367 2.367 2.367 2.367 2.246 2.246 2.246 2.141 2.141 2.141 2.050
8 8 8 2 8 8 8 4 8 8 8 4 8 8 8 8
11.5 45.0 1.2 6.8 1.0 12.0 0.4 0.3 0.6 0.9 1.4 2.3 0.3 1.0 1.0 0.4
2 4 1 1 1 3 3 4 4 5 5 1 2 2 5
4 2 0 3 4 1 4 1 3 0 1 5 1 5 1
2 2 5 4 3 4 1 3 1 1 0 2 5 1 2
20
d
iv
IId
44.18 44.18 46.08 46.08 46.08 46.08 46.08 46.08 46.08 46.08 46.08 49.72 49.72 49.72 49.72
2.050 2.050 1.970 1.970 1.970 1.970 1.970 1.970 1.970 1.970 1.970 1.834 1.834 1.834 1.834
8 8 8 8 8 8 8 8 8 8 4 8 8 8 8
0.5 6.5 1.6 11.1 0.2 0.1 1.8 2.0 0.9 3.3 2.2 0.3 0.7 0.2 2.9
GIS
Na - Pl
I
-==i
Zeolites
16:3X+-802,
1996
471
GME
Gmelinite
COMPOSITION:
(Naa, Ca)4(Si16AlsO48).24&0 Nova Scotia, Canada.
CRYSTAL
P6s/mmc (No. 194) a = 13.75 A b = 13.75 A 0 = 90” p = 90”
DATA:
REFERENCE:
472
h
k
1
28
1
0
0
1 1 2 2 0 1 2 2 1 3 3 2 2 3 1 4
0 1 0 0 0 0 1 1 1 0 0 2 1 1 0 0
1 0 0 1 2 2 0 1 2 0 1 0 2 0 3 0
7.42 11.52 12.88 14.88 17.31 17.65 19.17 19.72 21.63 21.91 22.40 24.11 25.92 26.59 27.00 27.66 30.02
Zeolites
d 11.908 7.680 6.875 5.954 5.122 5.025 4.630 4.501 4.108 4.057 3.969 3.692 3.438 3.353 3.303 3.225 2.977
16:323-602,
1996
c = 10.05 A y = 120”
K. Fischer, Neues Jahrbuch fiir Mineralogie Monatshefte 1, l-13 (1966).
M
Ire,
6 12 6 6 12 2 12 12 24 12 6 12 6 24 12 12 6
100.0 18.8 2.1 0.9 12.3 25.0 5.0 6.4 23.5 0.2 1.0 0.4 2.5 0.6 0.9 8.7 13.5
hkl ‘2 4 2 3 2 3 4 4 4 3 1 3 5 4 3 4 4
0 0 2 2 1 2 1 0 1 2 1 1 0 1 3 2 2
3 1 2 0 3 1 0 2 1 2 4 3 1 2 0 0 1
28
d
Iv
IreI
hkl
30.62 31.34 31.53 32.78 33.34 34.01 34.52 35.03 35.69 37.47 38.13 38.27 38.86 39.02 39.31 40.07 41.10
2.920 2.854 2.837 2.732 2.687 2.636 2.599 2.561 2.516 2.400 2.360 2.352 2.317 2.308 2.292 2.250 2.196
12 12 12 12 24 24 12 12 24 24 12 24 12 24 6 12 24
7.2 7.4 0.2 0.1 12.4 1.0 4.1 1.1 0.5 1.2 0.3 0.6 0.7 0.4 1.0 0.2 0.8
5 5 3 3 5 3 4 4 1 5 5 4 5 2 5 4 2
0 1 0 2 1 3 2 1 0 1 0 0 2 0 2 2 1
2 0 4 3 1 2 2 3 5 2 3 4 0 5 1 3 5
20
d
Iv
Ire1
41.98 42.26 42.58 42.71 43.25 43.40 44.09 44.11 45.78 46.13 46.80 47.34 47.69 47.76 48.60 48.75 49.67
2.152 2.139 2.123 2.117 2.092 2.085 2.054 2.053 1.982 1.968 1.941 1.920 1.907 1.904 1.873 1.868 1.835
12 12 12 24 24 12 24 24 12 24 12 12 12 12 24 24 24
0.3 0.1 0.4 0.2 0.6 3.4 0.2 1.7 0.4 0.2 1.0 0.3 0.7 0.5 0.1 0.7 1.7
Gmelinite
-5:
Aii -3 -G
-5
d -mo
?,
-7
-8
-0
r
-0
Zeolites
16:323-802,
1996
473
GO0
Goosecreekite
COMPOSITION:
CRYSTAL
Caz(Si12A14032).10HzO Loudon County, Virginia,
DATA:
P1211 (No. 4) unique axis b a = 7.401 A b = 17.439 A )Y = 105.44” Q = 90”
REFERENCE:
474
h
k
1
20
d
0 1 0 1 0 -1 -1 1 0 -1 1 0 1 0 1 -1 1 1 0 -2 2 -1 1 -2 0 -1 2 -1 0 -2 2 -1 0 1 0 1 -2 2 -1 0 -1 -2 0 -2 2
2 0 0 1 1 0 1 2 2 2 3 3 0 4 1 3 2 4 4 0 0 0 3 1 0 4 1 1 1 2 2 2 2 5 5 4 3 3 3 3 5 0 6 1 1
0 0 1 0 1 1 1 0 1 1 0 1 1 0 1 1 1 0 1 1 0 2 1 1 2 1 0 2 2 1 0 2 2 0 1 1 1 0 2 2 1 2 0 2 1
10.14 12.41 12.59 13.41 13.58 15.16 15.99 16.05 16.20 18.27 19.70 19.82 19.95 20.37 20.60 21.56 22.43 23.92 24.02 24.80 24.96 25.09 25.20 25.33 25.34 25.49 25.49 25.61 25.86 26.86 27.01 27.12 27.36 28.49 28.57 28.66 29.24 29.38 29.48 29.70 29.83 30.59 30.76 31.02 31.42
8.719 7.134 7.030 6.603 6.520 5.845 5.542 5.521 5.473 4.855 4.506 4.480 4.450 4.360 4.312 4.122 3.964 3.720 3.705 3.590 3.567 3.550 3.533 3.516 3.515 3.495 3.495 3.478 3.446 3.319 3.301 3.288 3.260 3.133 3.124 3.114 3.054 3.040 3.030 3.008 2.995 2.923 2.907 2.882 2.847
Zeolites
16:323-802,
U.S.A.
c = 7.293 A y = 90”
R. C. Rouse and D. R. Peacor. Am. Mineral. 71, 1494-~1501 (1986).
A,1 2 2 2 4 4 2 4 4 4 4 4 4 2 2 4 4 4 4 4 2 2 2 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 2 4 4
1996
I rel 9.9 35.0 55.4 2.2 2.3 5.2 38.9 18.8 28.9 81.0 64.6 100.0 12.8 0.4 8.2 26.9 14.4 6.9 5.2 5.3 9.2 5.7 7.4 11.1 6.1 11.4 16.6 22.1 8.7 25.8 56.4 13.3 41.7 19.3 18.9 11.3 10.2 44.4 6.6 45.2 3.6 7.5 14.1 1.6 12.7
h k 1 -2 -2 2 -1 1 2 0 1 1 0 -2 -1 2 1 -2 2 -1 0 -3 1 -2 -1 2 -1 1 3 -3 3 1 0 0 -1 0 3 -1 -3 -3 0 -2 2 -3 -1 -2 0
1 4 2 4 4 5 2 4 2 6 6 3 6 3 3 5 5 5 5 0 6 4 0 4 1 4 0 2 1 7 7 0 2 1 2 7 0 3 2 6 6 1 6 5 6
1 2 1 2 0 2 1 1 2 2 0 1 2 1 1 2 1 0 2 2 1 1 2 3 1 3 2 0 1 0 0 1 3 3 3 0 1 2 1 3 1 0 2 2 2 2
28 31.65 32.30 32.30 32.43 32.53 32.62 32.68 32.73 32.91 33.29 33.36 34.34 34.46 34.70 34.91 35.90 36.01 36.10 36.28 36.52 36.94 37.03 37.06 37.37 37.43 37.56 37.83 38.00 38.20 38.27 38.33 38.41 38.52 38.77 39.27 39.31 39.71 39.79 39.83 39.91 40.01 40.06 40.09 40.26 40.26
d 2.827 2.771 2.771 2.761 2.753 2.745 2.740 2.736 2.722 2.692 2.686 2.611 2.602 2.585 2.570 2.502 2.494 2.488 2.476 2.460 2.433 2.428 2.426 2.407 2.403 2.394 2.378 2.368 2.356 2.352 2.348 2.343 2.337 2.322 2.294 2.292 2.270 2.266 2.263 2.259 2.253 2.251 2.249 2.240 2.240
AI
IreI
4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 2 4 4 4 2 4 4 4 4 2 4 4 4 4 2 4 4 4 4 4 4 4 4
3.1 10.0 8.3 0.5 15.0 2.9 9.0 0.2 2.9 18.1 8.7 3.8 8.9 8.9 7.5 3.1 1.6 3.5 1.9 1.5 2.7 9.4 0.6 1.2 1.4 2.4 1.8 5.6 0.3 2.2 0.3 7.4 14.3 0.6 3.1 7.0 0.4 3.3 3.5 4.6 0.2 0.7 0.4 6.5 5.2
h k -1 -2 2 1 2 3 -3 -2 0 1 0 2 -3 -1 -3 -2 3 0 2 3 1 0 -2 1 2 -2 2 1 -1 0 3 -3 1 -3 -2 -1 2 3 3 1 1 -3 0 -3 -3
3 1 5 5 1 3 2 2 8 7 3 2 4 4 3 3 4 8 3 1 0 4 6 1 6 7 7 6 7 7 2 4 2 5 4 5 4 3 5 8 3 0 5 1 2
1 3 3 1 2 2 0 2 3 0 1 3 2 1 3 2 3 0 1 2 1 3 3 2 3 1 1 0 2 2 2 1 2 3 1 3 3 2 1 0 1 3 3 3 3 3
28 40.28 40.37 40.57 40.76 40.89 41.01 41.09 41.39 41.42 41.54 41.55 41.90 42.18 42.65 42.76 43.06 43.34 43.46 43.55 43.62 43.75 43.86 43.93 44.08 44.23 44.25 44.35 44.40 44.42 44.58 44.58 45.03 45.03 45.10 45.31 45.55 45.78 46.15 46.20 46.38 46.60 46.61 46.70 46.92 47.83
d
M
IreI
2.239
4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4
3.3 2.4 1.9 2.9 4.7 1.4 1.6 0.8 1.5 3.9 1.3 0.3 5.4 2.6 1.4 2.4 1.9 0.5 0.8 1.7 0.8 0.7 2.0 0.3 4.9 0.4 1.4 1.2 0.5 2.3 2.6 0.2 1.0 1.3 0.6 0.4 3.3 1.0 2.2 0.2 1.7 0.3 0.5 3.0 0.3
2.234 2.224 2.214 2.207 2.201 2.197 2.181 2.180 2.174 2.173 2.156 2.143 2.120 2.114 2.101 2.088 2.082 2.078 2.075 2.069 2.064 2.061 2.055 2.048 2.047 2.042 2.040 2.039 2.033 2.032 2.013 2.013 2.010 2.002 1.992 1.982 1.967 1.965 1.958 1.949 1.948 1.945 1.936 1.902
Goosecreekite
Zeolites
16:323-802,
1996
475
HEU
Heulandite
COMPOSITION:
(N~.~Ks.~~Ba~.~~)(Si~~.s~A1~.~~0~~)~19.56H~O Mossyrock Dam, Washington, U.S.A.
CRYSTAL
Cl 2/m 1 (No. CL= 17.767 A Cl!= 90”
DATA:
E. Galli, G. Gottardi, H. Mayer, A. Preisinger and E. Passaglia, Acta Cryst. B39, 189-197 (1983).
REFERENCE
h 1 0 2 -1 -2 0 2 1 -2 -3 1 3 -1 0 -4 2 -3 1 4 3 -4 2 2 -2 0 -2 -3 -1 1 -5 -2 3 -4 0 -1 -4 5 -4 0 -3 2 -1 -5 3 -3
476
k 1 2 0 1 0 0 2 3 2 1 1 1 3 4 0 0 3 3 0 3 2 4 2 4 4 0 1 1 5 1 2 1 0 0 5 2 1 4 2 3 4 3 1 3 5
Zeolites
1
20
0 0 0 1 1 1 0 0 1 1 1 0 1 0 1 1 1 1 0 0 1 0 1 1 1 2 2 2 0 1 2 1 2 2 1 2 0 1 2 2 1 2 2 1 1
7.41 9.85 11.07 12.90 13.03 13.25 14.84 15.81 16.36 16.86 17.19 17.37 19.04 19.77 20.31 20.72 21.95 22.21 22.25 22.34 22.62 22.72 22.99 23.76 23.88 23.96 24.99 25.22 25.42 25.58 25.96 26.03 26.24 26.68 27.58 28.09 28.37 28.49 28.50 28.73 28.80 28.93 29.45 29.64 29.71
16:323-802,
d 11.937 8.979 7.989 6.865 6.792 6.683 5.969 5.606 5.417 5.258 5.157 5.106 4.661 4.490 4.373 4.286 4.050 4.003 3.995 3.979 3.931 3.914 3.868 3.745 3.727 3.715 3.563 3.531 3.504 3.482 3.432 3.424 3.396 3.341 3.234 3.176 3.146 3.132 3.132 3.107 3.100 3.086 3.033 3.014 3.007
M
I l-21
4 2 2 4 2 2 4 4 4 4 4 4
3.3 100.0 64.0 6.8 17.8 2.9 12.9 2.2 1.9 11.3 32.0 4.3 20.3 0.3 8.2 1.1 1.9 60.2 34.7 53.8 21.9 29.4 3.1 2.2 4.4 5.9 29.4 0.9 0.9 4.5 50.8 6.8 18.5 19.0 0.3 45.1 0.2 34.1 0.8 1.0 2.4 22.8 5.3 1.6 15.0
2
4 4
1996
12) unique axis b, cell choice 1 b = 17.958 A c = 7.431 A p = 115.93” y = 90”
hkl 0 1 4 3 1 -6 4 -2 5 -6 4 -6 -2 -5 0 -4 1 2 0 6 -6 2 -3 6 -1 1 -5 3 -7 -6 -4 5 2 -3 4 -2 -7 -1 4 3 -4 -5 -2 -6 -5
6 5 4 5 1 0 0 4 3 2 2 0 6 3 6 4 3 0 4 0 2 2 5 2 5 7 5 5 1 4 6 1 6 1 4 0 1 7 6 1 2 1 2 4 5
0 1 0 0 2 1 1 2 0 1 1 2 1 2 1 2 2 2 2 0 2 2 2 0 2 0 1 1 1 1 1 1 1 3 1 3 2 1 0 2 3 3 3 2 2
20
d
M
IreI
h
k
1
28
29.85 29.90 29.94 30.01 30.03 30.21 30.69 31.25 31.74 31.85 32.30 32.57 32.70 32.72 32.79 33.07 33.25 33.28 33.43 33.65 34.10 34.79 35.12 35.15 35.29 35.44 35.56 35.89 35.93 36.37 36.37 36.42 36.62 36.63 36.78 36.84 37.06 37.07 37.55 37.86 37.99 38.15 38.23 38.39 38.52
2.993 2.988 2.984 2.978 2.975 2.958
2 4 4 4 4 2 2 4 4 4 4 2 4 4 4 4 4 2 4 2 4 3 4 4 4 4 4 4 4 4 3 4 4 4 4 2 4 4 4 4 4 4 4 4 4
4.1 41.6 2.2 27.8 12.7 4.5 2.3 0.5 43.6 14.0 0.7 1.5 10.6 1.6 12.8 0.5 7.7 0.5 3.2 1.3 0.1 9.4 1.4 4.8 2.8 1.7 6.7 2.5 2.1 3.2 3.9 2.4 11.3 2.3 10.4 3.9 5.6 0.3 1.3 0.9 1.5 1.1 1.7 0.7 0.1
-2 -7 -3 1 3 2 5 6 -3 -7 -6 -4 0 0 0 3 -6 -1 6 2 -2 4 7 -2 -7 6 -6 -3 -1 4 -5 1 3 5 -7 -6 2 5 8 -4 0 3 6 1 -8
6 3 7 7 7 4 3 4 3 3 0 6 8 6 0 3 2 3 0 8 4 0 3 8 1 2 6 7 7 6 7 1 7 5 5 4 6 7 0 8 4 5 6 9 0
2 1 1 1 0 2 1 0 3 2 3 2 0 2 3 2 3 3 1 0 3 2 0 1 3 1 1 2 2 1 1 3 1 1 2 3 2 0 0 1 3 2 0 0 3
38.63 38.72 38.73 38.89 38.97 39.01 39.18 39.34 39.37 39.78 39.82 40.16 40.17 40.46 40.49 40.53 41.12 41.25 41.64 41.80 42.16 42.17 42.38 42.41 42.85 42.89 42.99 43.16 43.30 43.34 43.52 43.70 43.81 44.26 44.80 44.84 45.31 45.33 45.41 45.42 45.45 45.48 45.60 45.83 45.88
2.913 2.862 2.819 2.810 2.771 2.749 2.739 2.737 2.732 2.708 2.694 2.692 2.681 2.663 2.629 2.579 2.555 2.553 2.543 2.533 2.525 2.502 2.499 2.470 2.470 2.467 2.454 2.453 2.444 2.439 2.426 2.425 2.395 2.377 2.368 2.359 2.354 2.345 2.337
d 2.331 2.326 2.325 2.316 2.311 2.309 2.299 2.290 2.288 2.266 2.264 2.245 2.245 2.229 2.228 2.226 2.195 2.189 2.169 2.161 2.143 2.143 2.133 2.131 2.110 2.109 2.104 2.096 2.089 2.088 2.079 2.071 2.067 2.046 2.023 2.022 2.002 2.001 1.997 1.997 1.996 1.994 1.989 1.980 1.978
M
4 4 4 4 4 4 4 4 4 4 2 4 2 4 2 4 4 4 2 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 2
Ire1
0.3 0.3 0.5 0.4 0.1 1.3 1.3 0.3 1.1 0.1 0.2 1.0 0.9 0.2 1.4 0.2 2.0 2.6 0.1 0.4 1.9 0.8 2.4 0.8 0.6 5.9 2.6 2.2 0.2 1.3 0.7 2.6 3.9 1.4 5.2 4.7 0.1 0.3 0.2 0.2 0.1 0.7 0.5 1.1 0.1
HEU
Heulandite
Zeolites
l&323-802,
1996
477
HEU
Clinoptilolite
COMPOSITION:
(Nal.84K1.76Mgo.2Cal.24)(~i29.84A16.16072)~21.36~2~ Agoura, California, U.S.A.
CRYSTAL
Cl 2/m. 1 (No. 12) unique axis b, cell choice 1 a = 17.662 A b = 17.911 A c = 7.407 A a = 90” /‘3= 116.40” y = 90”
DATA:
REFERENCE:
h
k
1 0 2 -1 -2 0 2 1 -2 0 -3 1 3 -1 -4 1 4 3 -4 2 2 -2 0 -2 4 -3 -1 1 -5 -2 -4 3 0 -4 -4 5 0 -3 2 -1 -5 -5 -3 3 0
478
1 2 0 1 0 0 2 3 2 2 1 1 1 3 0 3 0 3 2 4 2 4 4 0 2 1 1 5 1 2 0 1 0 2 4 1 2 3 4 3 3 1 5 3 6
1
28
0 0 0 1 1 1 0 0 1 1 1 1 0 1 1 1 0 0 1 0 1 1 1 2 0 2 2 0 1 2 2 1 2 2 1 0 2 2 1 2 1 2 1 1 0
7.46 9.88 11.19 12.94 13.06 13.35 14.94 15.87 16.40 16.63 16.91 17.36 17.53 19.10 20.40 22.36 22.48 22.49 22.71 22.82 23.21 23.81 23.98 24.04 24.61 25.05 25.35 25.49 25.72 26.04 26.29 26.32 26.88 28.15 28.60 28.65 28.70 28.80 29.00 29.07 29.39 29.51 29.79 29.92 29.93
Zeolites
d 11.857 8.956 7.910 6.843 6.780 6.635 5.929 5.586 5.405 5.331 5.243 5.110 5.059 4.648 4.354 3.976 3.955 3.952 3.915 3.897 3.832 3.736 3.712 3.702 3.618 3.555 3.513 3.494 3.464 3.421 3.390 3.386 3.317 3.170 3.121 3.116 3.111 3.100 3.078 3.072 3.039 3.027 2.999 2.986 2.985
16:323-802,
1996
K. Koyama and Y. Takeuchi, Z. Kristallogr. 145, 216-239 (1977).
n/I
I rel
4 2 2 4 2 2 4 4 4
4.7 100.0 40.0 1.4 14.5 7.0 6.3 1.9 0.6 1.6 15.8 24.8 6.0 15.6 5.6 49.2 18.1 37.2 21.0 24.4 4.9 3.1 1.5 6.8 0.3 14.7 0.6 1.0 5.0 32.1 13.6 2.8 9.6 27.2 13.8 0.2 0.5 2.7 1.0 14.0 0.7 2.8 9.5 1.3 2.0
4 2 4 4 4 4 4 4 2 4 4
2 4 4 4 4 4 4 4 4 4 4 4 2
hkl 1 4 3 1 -6 4 -2 5 -6 4 -6 -2 -5 0 1 2 0 6 -6 2 -3 -1 6 1 -5 3 -7 -4 -6 -4 -3 2 5 -2 4 -1 -7 4 5 -4 -5 3 -2 -6 -2
5 4 5 1 0 0 4 3 2 2 0 6 3 6 3 0 4 0 2 2 5 5 2 7 5 5 1 6 4 0 1 6 1 0 4 7 1 6 5 2 1 1 2 4 6
1 0 0 2 1 1 2 0 1 1 2 1 2 1 2 2 2 0 2 2 2 2 0 0 1 1 1 1 1 3 3 1 1 3 1 1 2 0 0 3 3 2 3 2 2
20
d
30.05 30.15 30.16 30.30 30.41 31.05 31.35 32.01 32.04 32.66 32.66 32.78 32.79 32.90 33.51 33.62 33.62 34.00 34.20 35.13 35.21 35.44 35.49 35.54 35.71 36.16 36.19 36.49 36.57 36.69 36.76 36.82 36.85 37.02 37.11 37.18 37.20 37.76 37.94 38.09 38.22 38.27 38.41 38.50 38.75
2.973 2.964 2.963 2.950 2.940 2.880 2.853 2.796 2.793 2.742 2.742 2.732 2.731 2.722 2.674 2.665 2.665 2.637 2.621 2.555 2.549 2.533 2.529 2.526 2.514 2.484 2.482 2.462 2.457 2.449 2.445 2.441 2.439 2.428 2.422 2.418 2.417 2.383 2.371 2.362 2.355 2.352 2.343 2.338 2.324
IL1 4 1 2 2 4 4 2 4
4 4 2
4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4
I4
h
k
26.4 0.4 17.8 11.2 2.7 1.9 0.1 23.1 8.7 0.6 0.8 9.7 0.4 4.9 4.0 1.0 1.2 0.3 0.2 4.1 0.7 2.3 2.9 1.8 3.2 2.0 0.9 1.3 2.4 0.4 0.2 6.2 1.3 3.6 5.7 0.2 4.1 1.5 0.2 2.0 0.6 1.1 1.9 0.4 0.5
-3 -7 1 3 2 5 6 -6 -7 7 -4 0 0 3 -6 -8 -1 2 6 -2 -2 0 4 7 -7 -6 -3 6 4 -5 3 1 -7 -3 5 -6 -7 -7 -4 3 8 6 1 -5 -8
7 3 7 7 4 3 4 0 3 1 6 8 0 3 2 0 3 8 0 4 8 8 0 3 1 6 7 2 6 7 7 1 5 5 5 4 5 3 8 5 0 6 9 7 4
1 1 1 1 0 2 1 0 3 2 0 2 0 3 2 3 1 3 0 1 3 1 1 2 0 3 1 2 1 1 1 1 3 1 3 1 3 2 3 1 2 0 0 0 2 1
28
d
38.84 38.97 39.05 39.13 39.34 39.59 39.67 39.89 39.92 40.22 40.25 40.28 40.80 40.93 41.20 41.44 41.49 41.94 42.13 42.34 42.52 42.62 42.66 42.78 42.94 43.19 43.27 43.38 43.67 43.69 44.07 44.08 44.10 44.58 44.66 44.93 44.96 45.38 45.56 45.88 45.89 45.92 45.96 46.18 46.34
2.319 2.311 2.307 2.302 2.290 2.276 2.272 2.260 2.258 2.242 2.240 2.239 2.212 2.205 2.191 2.179 2.176 2.154 2.145 2.134 2.126 2.121 2.120 2.114 2.106 2.095 2.091 2.086 2.073 2.072 2.055 2.054 2.054 2.032 2.029 2.017 2.016 1.998 1.991 1.978 1.977 1.976 1.975 1.966 1.959
A‘!! Ire1 4 4 4 4 4 4 4 2 4 4 4 2 2 4 4 2 4 4 2 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4
0.8 0.2 0.2 0.2 0.6 0.4 1.2 0.7 0.4 0.1 0.3 0.1 1.1 0.3 2.1 0.2 1.5 0.4 0.3 2.1 0.5 0.2 0.8 1.9 0.4 1.3 1.4 3.4 2.3 0.2 1.5 0.9 0.1 0.2 1.0 2.7 2.3 0.4 0.1 0.2 0.4 0.8 0.9 0.6 2.6
HEU
Clinoptilolite
J -
-0
r
-3 -0
Zeolites
16:323-802,
1996
479
JBW
Nepheline
COMPOSITION:
Nas(SiyAly012).H:,O
CRYSTAL
Pm21 (No. 26) a = 7.503 A h = 8.233 a& cl = 90” p = 90”
DATA:
REFERENCE:
hkl 0 1 1 0 0 1 1 2 0 1 2 2 0
480
1 0 0 0 1 0 1 1 2 0 1 1 2 0 1 0 2 1 2 1 1 1 2 0 3 0
hydrate
c = 5.230 B, y = 90”
A. Rheinhardt, E. Hellner and H. Ahsbahs, Fortsch. der Mineralogie 60, 1755176 (1982)
28
d
M
Id
h
k
1
26
d
M
IreI
hkl
10.75 11.79 15.98 20.11 21.59 23.38 24.67 26.10 27.58 30.08 31.29 32.28 32.63
8.233 7.503 5.546 4.415 4.116 3.805 3.609 3.414 3.235 2.970 2.859 2.773 2.744
2 2 4 4 2 8 4 4 4 8 8 4 2
100.0 41.0 7.4 63.3 5.0 3.9 0.2 81.7 14.4 30.8 13.9 1.1 6.2
0 1 3 0 1 2 0 3 1 1 2 0 3
0 3 0 1 0 2 3 1 1 3 3 2 1
2 0 0 2 2 1 1 0 2 1 0 2 1
34.29 34.81 35.91 36.04 36.38 36.68 36.99 37.59 38.04 38.96 40.74 40.88 41.50
2.615 2.577 2.501 2.492 2.469 2.450 2.430 2.393 2.365 2.312 2.215 2.207 2.176
2 4 2 4 4 8 4 4 8 8 4 4 8
23.4 0.1 0.3 1.4 0.2 39.1 15.3 1.7 1.4 3.2 0.3 3.3 2.2
2 3 1 2 0 2 3 0 2 0 4 1 4
Zeolites
16:323-602,
1996
0 2 2 1 4 3 2 4 2 3 0 4 1
2 0 2 2 0 1 1 1 2 2 0 1 0
28
d
M
IreI
42.12 42.28 42.70 43.60 43.99 44.42 45.86 47.47 47.81 48.06 48.53 49.09 49.86
2.145 2.137 2.118 2.076 2.058 2.040 1.979 1.915 1.902 1.893 1.876 1.856 1.829
4 4 8 8 2 8 8 4 8 4 2 8 4
1.1 0.2 2.0 5.2 4.4 0.2 4.3 0.8 0.7 6.9 10.4 0.3 0.2
Nepheline
hydrate
Zeolites
16:323-802,
1996
481
KFI
Dehydrated
(Csg.7K13)(Si73.2A122.s0192)
CRYSTAL
Im%rz (No. 229) a = 18.b71 A ‘b = 18.671 A cl! = 90” p = 90”
28
1
1
0
2 2 2 3 2 3 4 3 4 4 3 4 4 5 5 4 4 5 4 6 5 6
0 1 2 1 2 2 0 3 1 2 3 2 3 1 2 4 3 3 4 0 3 1
0 1 0 0 2 1 0 0 1 0 2 2 1 0 1 0 3 0 2 0 2 1
482
6.69 9.47 11.61 13.41 15.00 16.45 17.77 19.01 20.18 20.18 21.28 22.33 23.34 24.31 24.31 26.14 27.01 27.86 27.86 28.69 28.69 29.49 29.49
Zeolites
ZK5
COMPOSITION: DATA:
REFERENCE:
hkl
(Cs,K)
d 13.202 9.335 7.622 6.601 5.904 5.390 4.990 4.668 4.401 4.401 4.175 3.981 3.811 3.662 3.662 3.409 3.301 3.202 3.202 3.112 3.112 3.029 3.029
16:323-802,
c = 18.671 A y = 90”
J. B. Parise, R. D. Shannon, E. Prince and D. E. Cox, Z. Kristallogr. 165, 175-190 (1983)
M
I l-21
hkl
12 6 24 12 24 8 48 6 12 24 24 24 24 48 24 48 12 24 24 24 6 48 24
60.6 78.9 16.8 28.8 100.0 0.2 6.3 1.3 0.5 20.6 27.2 1.0 29.5 1.9 4.9 45.1 1.5 15.5 23.1 0.1 4.1 7.2 4.4
6 5 6 4 5 5 7 6 5 6 6 7 6 7 5 7 8 6
1996
2 4 2 4 4 5 1 4 5 3 4 3 5 3 5 4 1 4
8
2
6 6 8 7
5 6 2 4
0 1 2 4 3 0 0 0 2 3 2 0 1 2 4 1 1 4 0 3 0 2 3
20
d
M
Ire,
30.27 31.04 31.79 33.24 33.95 33.95 33.95 34.64 35.32 35.32 35.99 36.65 37.94 37.94 39.20 39.20 39.20 39.81 39.81 40.42 41.02 41.02 41.61
2.952 2.881 2.815 2.695 2.641 2.641 2.641 2.589 2.541 2.541 2.495 2.452 2.371 2.371 2.298 2.298 2.298 2.264 2.264 2.232 2.200 2.200 2.171
24 48 24 8 48 12 24 24 24 24 48 24 48 48 24 48 24 24 24 48 12 24 48
18.9 4.1 30.9 0.9 8.0 6.2 0.2 0.3 10.1 24.1 0.2 0.1 0.1 3.0 3.6 0.4 6.2 1.8 0.3 0.6 9.2 2.5 1.8
hkl 7 6 7 8 8 9 6 7 9 7 8 9 7 8 7 8 8 10 7 10 8 10
20 5 6 5 4 3 1 5 6 2 5 5 3 6 4 7 5 6 0 7 1 6 2
0 2 2 0 3 0 5 1 1 4 1 0 3 4 0 3 0 0 2 1 2 0
41.61 42.19 42.77 43.34 43.91 43.91 45.03 45.03 45.03 46.12 46.12 46.12 47.19 37.73 48.25 48.25 48.77 48.77 49.29 49.29 49.80 49.80
d 2.171 2.142 2.114 2.088 2.062 2.062 2.013 2.013 2.013 1.968 1.968 1.968 1.926 1.906 1.886 1.886 1.867 1.867 1.849 1.849 1.831 1.831
M
rre1
24 24 48 24 24 24 24 48 48 48 48 24 48 24 12 48 23 6 24 24 48 24
0.2 0.7 1.1 0.1 0.3 2.6 0.3 0.1 0.6 0.2 3.3 1.1 8.9 0.5 2.8 5.2 0.2 4.5 0.5 0.2 5.8 0.8
Dehydrated
(Cs,K)
KFI
ZK5
-5
A e
-0
-0
Zeolites
16:323-802,
1996
463
LAU
Laumontite
COMPOSITION:
Ca4(SiIsAls048).18H20 Nasik, India.
CRYSTAL
Cl 2/m 1 (No. 12) unique axis b, cell choice 1
DATA:
a = 14.8538
a
a = 90” REFERENCE
hkl
28
1 0
1 0
0 1
2 0 -1 -2 1 0 2 -2 -3 3 2 1 -1 -2 -4 -1 2 0 1 -3 0 3 -2 -3 -4 3 0 1 4 -4 2 -2 -5 -1 2
0 2 1 0 1 2 2 2 1 1 0 3 3 0 0 1 2 0 3 1 4 1 2 3 2 3 2 1 2 0 4 4 1 3 0
0 0 1 1 1 1 0 1 1 0 1 0 1 2 1 2 1 2 1 2 0 1 2 1 1 0 2 2 0 2 0 1 1 2 2
484
9.24 12.52 12.71 13.45 13.68 14.42 17.28 18.41 18.54 19.77 20.05 20.28 20.78 21.22 23.54 23.94 24.25 24.67 24.83 25.18 25.83 26.72 27.08 27.24 27.56 27.80 27.83 27.97 28.65 28.93 29.01 29.08 30.02 30.81 30.89 31.36 32.12
Zeolites
c = 7.5421 A y = 90”
G. Artioli and K. St&hl, Zeolites 13, 249-255 (1993).
d
M
I rel
h
k
9.570 7.073 6.965 6.585 6.474 6.142 5.132 4.819 4.785 4.491 4.428 4.379 4.275 4.187 3.780 3.717 3.670 3.609 3.586 3.536 3.449 3.337 3.292 3.274 3.237 3.209 3.206 3.190 3.116 3.086 3.078 3.071 2.976 2.902 2.894 2.852 2.787
4 2 2 2 4 2 4 4 4 4 4 4 2 4 4 2 2 4 4 2 4 4 2 4 4 4 4 4 4 4 4 2 4 4 4 4 2
100.0
-4 4 5 -3 3 -5 2 1 1 2 4 -2 -1 -2 -5 -4 -3 -1 0 3 4 1 -4 0 5 -2 6 -5 3 -4 -4 -6 0 6 1 -3 -1
2 0 1 3 3 1 4 5 3 2 2 0 5 4 3 4 1 1 4 1 4 5 0 0 3 2 0 3 5 4 2 2 6 2 1 3 5
16:323-602,
b = 13.1695 A /3 = 110.323”
1996
1.7 44.3 0.2 4.1 7.4 14.4 0.1 11.4 9.6 0.7 1.3 10.7 34.4 1.6 0.8 29.6 0.4 15.4 52.2 8.4 26.3 20.6 2.6 1.5 26.6 1.0 5.7 2.0 26.0 11.4 2.4 2.4 0.4 22.4 0.2 4.6
1 2 1 0 2 1 2 1 0 2 2 1 3 1 2 1 1 3 3 2 2 0 1 3 3 0 3 0 2 0 2 3 2 0 0 3 3 2
28
d
M
I rel
h
k
32.16 32.36 32.86 33.03 33.46 34.03 34.38 34.66 34.88 34.96 35.19 35.72 36.18 36.46 36.55 36.67 36.91 37.03 37.32 37.56 37.60 37.78 37.94 38.17 38.26 38.32 38.79 39.29 39.33 40.15 40.42 40.75 41.12 41.23 41.58 41.86 41.90
2.783 2.766 2.725 2.712 2.678 2.635 2.609 2.588 2.572 2.566 2.550 2.514 2.483 2.465 2.458 2.451 2.435 2.428 2.410 2.394 2.392 2.381 2.372 2.358 2.352 2.349 2.321 2.293 2.291 2.246 2.231 2.214 2.195 2.189 2.172 2.158 2.156
4 2
15.2 0.3 0.5 0.8 0.6 0.2 14.9 0.3 4.9 4.0 0.2 4.5 2.4 4.4 3.1 14.3 1.2 0.2 0.3 0.2 4.5 2.5 2.1 0.3 0.4 3.8 0.2 1.2 2.1 0.8 0.3 6.5 7.3 8.6 0.2 4.0 4.8
-1 4 2 4 0 2 -3 5 -6 -7 4 2 1 6 -2 -5 -6 -5 1 7 -6 2 2 6 5 -7 -2 -5 -2 5 -7 -3 0 -4 -7 -8 3
3 0 4 4 6 6 5 3 0 1 2 0 5 0 4 3 4 5 3 1 2 6 2 2 5 3 6 5 0 1 3 1 6 0 1 0 1
2 4 4 4 4 4 4 4 4 4 4 2 2 4 4 2
4 4
1 3 2 2 1 1 0 2 1 3 2 2 3 2 1 3 3 1 1 3 0 3 1 3 1 0 1 2 2 4 2 2 4 2 4 3 1 3
28
d
A4
IreI
41.97 42.28 42.50 42.69 43.15 43.22 43.22 43.99 44.24 44.34 44.56 44.65 44.70 45.14 45.39 45.81 45.87 46.08 46.12 46.13 46.44 46.51 46.85 47.31 47.51 47.70 48.14 48.37 48.52 48.61 48.67 48.82 48.83 49.01 49.07 49.37 49.55
2.153 2.138 2.127 2.118 2.096 2.093 2.093 2.058 2.047 2.043 2.033 2.029 2.027 2.009 1.998 1.981 1.978 1.970 1.968 1.967 1.955 1.953 1.939 1.921 1.914 1.907 1.890 1.882 1.876 1.873 1.871 1.865 1.865 1.858 1.856 1.846 1.840
4 2 4 4 4 4 4 4 2 4 4 2 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 2 4 2 4
2.8 0.2 0.2 3.3 0.6 0.2 0.8 0.6 0.5 1.6 3.5 2.4 2.0 1.0 0.6 0.6 0.6 5.6 0.8 0.2 0.2 1.0 1.7 0.6 0.4 0.9 1.8 0.6 0.7 1.1 0.5 4.5 4.8 0.6 3.8 0.5 1.9
LAU
Laumontite
Zeolites
16:323-602,
1996
485
LAU
Leon hardite
COMPOSITION:
(K 0.1 N a0 30 C a3.6O)(Si16.4OA17.60048).25.2H20 Teigahorn, BerufjGrdur, Iceland.
CRYSTAL
Cl 2/m 1 (No. 12) unique axis b, cell choice 1 a = 14.690 a b = 13.061 A c = 7.574 A a: = 90” p = 112.01° y = 90”
DATA:
REFERENCE:
h
k
1
28
1 2 0 -1 -2 1 0 2 -2 -3 3 2 13 -1 -2 -4 -1 2 0 4 131 -3 0 -2 -3 3 3 0 -4 1 4 2 -5 -1 -4 2 -3 4
1 0 2 1 0 1 2 2 2 1 10 0
0 0 0 1 1 1 1 0 1 1
9.38 13.00 13.56 13.63 14.33 17.60 18.55 18.83 19.78 20.08 20.71 21.31 21.43 23.64 23.76 24.41 24.66 25.34 25.37 26.17 26.17 26.51 27.31 27.46 27.94 27.96 28.40 28.87 28.89 29.36 29.59 30.36 31.21 31.45 32.04 32.79 32.96 33.27
486
3 0 0 1 2 0 0 1 4 2 3 11 3 2 0 1 2 4 1 3 2 0 3 0
1 0 1 2 1 2 1 2 0 2 0 2 1 0 2 2 2 0 0 1 2 2 2 2 1
Zeolites
G. Artioli, J. V. Smith and A. Kvick, Zeolites 9, 377-391 (1989).
d
Al
I rel
h
9.427 6.810 6.531 6.496 6.181 5.040 4.782 4.713 4.489 4.422 4.288 4.170 4.147 3.764 3.744 3.647 3.611 3.514 3.511 3.405 3.405 3.362 3.265 3.248 3.194 3.192 3.142 3.092 3.091 3.042 3.019 2.944 2.866 2.844 2.794 2.731 2.718 2.693
4 2 2 4 2 4 4 4
100.0 53.7 1.4 1.2 17.7 15.5 0.7 11.4 30.3 1.7 1.8 25.3 57.3 5.3 0.9 35.6 1.3 20.4 77.0 1.3 15.2 28.2 29.7 0.9 16.2 1.3 12.7 2.6 3.9 16.9 16.5 1.5 20.0 0.8 18.4 0.8 0.6 0.2
5 -5 3 2 1 1 -2 2 4 -1 -2 -3 -5 -4 -1 -4 0 4 151 -2 3 5 -5 6 3 -4 -4 -6 -5 0 0 -3 -1 1 -I 6 2 -3
16:323-802,
2 4 4 2 4
1996
k
1
10 1 3 4 5 3 0 2 2 5 4 1 3 4 1 0 4 4
2 1 1 0 2 3 2 1 1 2 3 1 1 3 3 2 0
2 1 3 3 0 5 2 4 2 1 2 6 3 3 1 5 2 4 5
3 2 0 2 0 0 3 2 2 3 3 0 3 3 3 2 0 2 2
28
d
AJ
IreI
33.61 33.95 34.15 34.90 34.97 35.33 35.58 35.63 36.08 36.43 36.51 36.65 36.91 36.95 37.10 37.60 37.62 38.19 38.19 38.24 38.46 39.00 39.30 39.71 39.81 40.14 40.17 40.82 40.92 40.96 41.48 41.71 42.11 42.12 42.13 42.15 43.18 43.31
2.666 2.641 2.626 2.571 2.565 2.540 2.523 2.520 2.490 2.466 2.461 2.452 2.435 2.433 2.423 2.392 2.391 2.357 2.357 2.354 2.341 2.309 2.292 2.270 2.264 2.246 2.245 2.211 2.205 2.203 2.177 2.165 2.146 2.1115 2.145 2.144 2.095 2.089
4 4 4 3 4 4 2 4 4 4 4 4 4 4 3 2 4 4 4 4 4 4 4 2 4 4 4 4 4 4 2 4 4 4 4 4 4 4
0.2 3.5 3.0 15.7 0.6 5.7 6.2 10.7 0.5 2.6 5.6 0.6 2.7 19.6 0.2 1.9 1.4 5.0 4.7 3.9 0.5 0.8 0.5 1.6 6.0 0.3 0.5 11.0 0.1 0.6 5.9 8.3 0.5 1.2 3.5 10.1 1.1 3.0
h k 3 4 0 4 2 -6 -2 3 -7 5 1 -2 2 -5 4 -6 4 6 -5 1 -4 2 2 0 5 -7 -2 -5 -3 6 -4 -4 6 -7 -7 0 170 5
1
3 0 6 4 6 0 6 5 1 3 5 4 0 3 2 2 4 0 5 3 4 6 2 4 5 3 6 5 1 2 0 6 4 1 3 6
2 2 1 1 0 3 1 1 2 1 2 3 3 3 2 3 1 1 1 3 3 1 3 3 0 1 2 2 4 1 4 1 0 3 2 2
1
2
28 43.34 43.40 43.53 43.56 43.65 43.94 44.10 44.27 44.52 45.06 45.22 45.43 45.35 45.58 45.68 46.20 45.10 46.42 46.52 46.69 47.09 47.09 47.65 47.81 48.27 48.36 48.37 48.52 48.59 48.59 48.64 48.72 48.86 48.87 48.91 49.25 49.29 49.96
d 2.088 2.085 2.079 2.078 2.074 2.060 2.053 2.046 2.035 2.012 2.005 1.997 1.996 1.990 1.986 1.965 3.957 1.956 1.952 1.946 1.930 1.930 1.908 1.902 1.885 1.882 1.882 1.876 1.874 1.874 1.872 1.869 1.864 1.863 1.862 1.850 1.849 1.825
M
I rel
4 2
1.7 2.0 0.2 0.4 1.1 2.8 0.3 0.1 2.4 0.1 0.8 0.6 4.1 0.3 3.8 0.7 3.3 3.6 7.4 3.5 0.1 0.8 3.3 0.1 1.6 0.9 3.2 0.5 6.0 0.3 0.5 0.6 0.6 3.4 0.2 11.5 0.4 35 1.u
4 2
4 4 2 3
2 4 4 4
4 4 4 4 2 4 4 4 4 4 4 4
LAU
Leonhardite
J ?
Zeolites
16:323-802,
1996
487
LAU
Cobalt
COMPOSITION:
(CosGal6Pg4096).8C5H6N
CRYSTAL
Cl 2/c 1 (No. 15) unique axis b, cell choice 1 a = 15.058 A b = 13.197 A c = 15.273 A a = 90” p = 112.20” y = 90”
DATA:
A. M. Chippindale and R. I. Walton, J. Chem. Sot., Chem. Commun., 2453-2454 (1994).
REFERENCE:
hkl 1 1 2 0 -1 -2 1 -2 2 -1 -3 -2 -3 3 2 2 1 -1 -3 -2 1 1 0 3 -2 -4 -1 2 0 4 1 -3 -1 -3 0 -2 -4 -3 0 3 -4 0 4 1 -3
488
1 1 0 2 1 0 1 2 2 1 1 2 1 1 0 2 3 3 1 2 3 1 2 1 0 0 1 2 0 0 3 1 3 3 4 2 2 3 4 3 0 2 2 1 3
0 1 0 0 2 2 2 1 0 3 1 2 2 0 2 1 0 1 3 3 1 3 3 1 4 2 4 2 4 0 2 4 3 1 0 4 1 2 1 0 4 4 0 4 3
20
d
9.23 12.43 12.70 13.42 13.49 14.07 17.41 17.93 18.51 18.70 18.94 19.49 19.66 20.26 21.01 21.06 21.18 21.40 22.23 22.77 22.79 23.09 23.19 23.29 23.53 23.82 24.47 25.01 25.19 25.56 25.90 26.14 26.79 26.97 27.03 27.18 27.48 27.49 27.77 27.93 28.36 28.65 28.97 29.10 29.42
9.584 7.121 6.971 6.598 6.562 6.293 5.093 4.946 4.792 4.746 4.686 4.554 4.515 4.383 4.229 4.218 4.195 4.153 3.998 3.906 3.903 3.852 3.836 3.820 3.782 3.736 3.638 3.560 3.535 3.485 3.440 3.409 3.327 3.306 3.299 3.281 3.245 3.245 3.213 3.195 3.147 3.116 3.082 3.068 3.036
Zeolites
gallophosphate
16:323-602,
A4
I rel
4 4 2 2
100.0 0.7 5.6 4.5 5.1 17.2 15.1 0.3 0.7 0.3 0.2 26.6 5.1 3.9 12.6 3.0 45.4 2.4 2.2 4.4 1.2 0.7 1.4 3.8 0.9 29.2 0.4 16.1 62.9 0.3 1.8 10.5 0.3 0.3 23.7 2.8 0.4 4.0 3.1 9.6 1.6 1.7 7.0 7.8 0.4
2
2 4
2 2 4 4 2 2 4 4 4 4 2
1996
hkl 0 2 1 3 -5 -3 -5 -1 -4 2 4 2 3 5 0 -5 3 2 0 -1 1 -4 2 -2 1 5 -6 -1 -2 -5 -1 -3 -4 -5 -4 -3 -5 -5 -4 0 -4 -6 1 3 -2
4 4 3 3 1 1 1 3 2 4 2 0 1 1 4 1 3 4 2 5 3 2 2 0 5 1 0 5 4 3 3 1 4 1 4 3 3 3 0 4 4 0 5 3 2
2 0 3 1 2 5 1 4 4 1 1 4 3 0 3 4 2 2 5 1 4 5 4 6 1 1 2 2 4 2 5 6 2 5 1 5 1 3 6 4 3 4 2 3 6
28
d
M
I rel
29.88 29.96 30.08 30.24 30.45 30.92 31.00 31.18 31.50 31.65 31.71 32.44 32.47 32.83 33.14 33.25 33.65 34.48 34.50 34.73 35.00 35.18 35.25 35.29 35.63 35.75 35.83 36.04 36.13 36.15 36.23 36.28 36.33 36.33 36.37 36.56 36.63 36.82 37.11 37.28 37.43 37.43 37.78 37.90 37.91
2.990 2.982 2.971 2.955 2.936 2.892 2.884 2.869 2.840 2.827 2.821 2.760 2.757 2.728 2.703 2.695 2.663 2.601 2.599 2.583 2.564 2.551 2.546 2.543 2.520 2.512 2.506 2.492 2.486 2.485 2.479 2.476 2.473 2.473 2.470 2.458 2.453 2.441 2.423 2.412 2.403 2.403 2.381 2.374 2.373
4 4 4 4 4 4 4 4 4 4 4 2 4 4 3 4 4 4 4 4 4 4 4 2 4 4 2 4 4 4 4 4 4 4 4 4 4 4 2 4 4 2 4 4 4
0.5 2.6 0.2 0.9 28.1 0.1 0.5 1.4 4.6 0.1 0.3 1.0 0.1 0.2 0.2 0.4 0.3 15.5 0.7 0.3 9.2 0.3 0.4 6.0 0.4 0.9 1.6 1.8 0.8 5.8 1.8 1.4 8.2 1.1 1.2 0.1 0.5 0.1 4.1 0.5 0.2 0.4 5.1 0.3 2.4
hkl 3 5 -1 -5 6 -3 5 -4 4 -6 4 -2 -5 1 3 0 6 -3 0 -1 -1 1 -3 0 -4 4 -3 3 -7 -2 4 -6 2 -1 -2 3 3 -2 -7 6 5 2 1 -5 -5
1 3 5 3 0 5 1 4 4 2 2 4 1 3 5 6 2 3 6 5 3 1 1 4 4 0 5 3 1 6 4 0 6 1 6 5 1 2 1 2 3 6 5 1 3
4 0 3 4 0 2 2 4 1 4 3 5 6 5 1 0 0 6 1 4 6 6 7 5 5 4 4 4 2 1 2 6 0 7 2 2 5 7 1 1 2 1 4 7 6
20
d
iv
IreI
37.97 38.21 38.42 38.58 38.75 38.93 39.56 39.58 39.75 39.93 39.94 40.24 40.27 40.44 41.00 41.03 41.19 41.27 41.55 41.72 41.77 41.78 42.05 42.08 42.65 42.76 42.78 42.80 42.82 42.86 42.88 43.12 43.13 43.31 43.59 43.68 43.85 43.88 43.99 44.00 44.24 44.37 44.77 44.89 44.90
2.370 2.355 2.343 2.334 2.324 2.313 2.278 2.277 2.267 2.258 2.257 2.241 2.239 2.230 2.201 2.200 2.192 2.187 2.173 2.165 2.162 2.162 2.149 2.147 2.120 2.114 2.113 2.113 2.112 2.110 2.109 2.098 2.098 2.089 2.076 2.072 2.065 2.063 2.058 2.058 2.047 2.041 2.024 2.019 2.019
4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4
1.0 0.3 0.1 0.4 0.3 0.8 2.0 2.1 0.1 1.9 0.7 0.3 3.7 0.2 1.0 1.0 1.3 1.7 0.4 1.4 0.9 0.4 0.3 1.3 0.4 2.4 5.5 1.6 0.8 0.7 0.2 0.2 0.6 0.4 1.5 1.2 0.4 0.6 0.5 0.6 0.1 0.1 0.1 0.2 0.7
Cobalt
LAU
gallophosphate
Zeolites
l&323-602,
1996
469
LEV
Levyne
COMPOSITION:
(Cas,lsNal,gsKo,s)(Si35A119010s).50H~O Nurri. Nuoro, Sardinia, Italy.
CRYSTAL
R3m (No. 166) hexagonal setting a = 13.338 A b = 13.338 A c = 23.014 A Q = 90” p = 90” y = 120”
DATA:
REFERENCE:
hkl
28
1
0
1
0 0 1 0 2 1 2 0 1 0 3 0 2 2 0 3 2 1 1 1 1 3 2 4 0
1 0 1 2 0 1 1 1 2 2 0 0 0 1 3 0 2 1 3 2 0 1 2 0 2
2 3 0 1 2 3 1 5 2 4 0 6 5 4 3 3 0 6 1 5 7 2 3 1 7
490
8.56 10.85 11.53 13.28 15.82 17.18 17.62 20.71 20.77 21.77 21.80 23.10 23.19 24.73 25.61 25.89 25.89 26.73 26.81 28.12 28.17 28.22 28.93 29.20 31.22 31.31
Zeolites
S. Merlino, Tschermaks
d 10.324 8.152 7.671 6.669 5.602 5.162 5.033 4.289 4.276 4.082 4.076 3.850 3.836 3.599 3.478 3.441 3.441 3.335 3.325 3.173 3.168 3.162 3.086 3.058 2.865 2.857
16:323-602,
E. Galli and A. Alberti, Mineral. Petrogr. Mitt.
hk 6 6 2 6 6 6 12 12 6 12 6 6 2 6 12 6 6 6 12 12 12 6 12 12 6 6
1996
73.2 83.0 41.1 13.2 0.2 36.4 5.1 4.0 41.6 100.0 6.3 23.1 8.9 6.9 20.7 1.9 4.9 11.4 3.3 0.2 26.8 23.4 15.6 0.1 10.4 11.1
0 1 0 3 3 2 2 0 4 2 0 3 1 1 4 0 2 1 1 3 2 4 4 0 0 3
128 4 3 3 0 1 1 3 0 1 2 4 2 2 4 1 5 3 3 0 3 4 0 2 5 2 3
2 4 6 6 5 7 2 9 0 6 5 4 8 3 3 1 5 7 10 0 1 7 2 4 10 3
31.95 31.97 32.96 32.96 34.10 34.14 34.74 35.09 35.62 35.68 36.74 37.36 37.44 37.56 37.56 39.19 39.23 39.26 39.94 40.58 41.55 41.62 42.13 42.15 42.27 42.33
d 2.801 2.799 2.717 2.717 2.630 2.626 2.582 2.557 2.521 2.516 2.446 2.407 2.402 2.39.5 2.395 2.299 2.297 2.295 2.257 2.223 2.173 2.170 2.145 2.144 2.138 2.135
22, 117-129
hil
Ire,
hk
6 12 6 6 12 12 12 2 12 1% 6 12 12 12 12 6 12 12 6 6 12 6 12 6 6 12
68.3 0.8 2.6 2.5 7.6 33.9 5.3 1.4 17.0 1.0 3.2 4.0 5.0 1.7 7.0 0.6 1.8 4.5 2.0 8.4 1.2 0.3 1.1 2.1 3.5 3.8
0 3 1 4 5 5 3 1 2 0 2 4 2 5 2 6 3 0 0 1 3 1 0 6 5 1
(1975).
128 3 0 4 1 1 0 2 5 4 4 1 2 0 1 3 0 3 0 5 2 4 3 6 0 2 1
9 9 6 6 1 5 7 2 4 8 10 5 11 4 8 0 6 12 7 11 2 10 3 3 0 12
42.43 42.43 42.93 42.93 43.81 43.85 43.88 44.37 44.38 44.45 44.50 46.01 36.15 46.53 46.60 47.21 47.26 47.40 48.14 48.23 48.59 48.72 48.77 48.77 49.26 49.45
d
hJ
Ire1
2.130 2.130 2.107 2.107 2.066 2.065 2.063 2.042 2.041 2.038 2.036 1.972 1.967 1.952 1.949 1.925 1.923 1.918 1.890 1.887 1.874 1.869 1.867 1.867 1.850 1.843
6 6 12 12 12 6 12 12 12 6 12 12 6 12 12 6 12 2 6 12 12 12 6 6 12 12
3.2 0.9 0.9 1.1 1.5 2.0 2.5 0.6 1.6 0.2 0.9 0.9 1.4 3.6 2.5 0.3 0.2 3.3 4.4 0.3 1.2 2.5 0.1 0.3 2.2 2.4
LEV
Levyne
feolites
16:323-802,
1996
491
LEV
l-aminoadamantane
COMPOSITION:
(Si540108).6CloH15NH2
CRYSTAL
RZm (No. 166) hexagonal setting a = 13.2251 A b = 13.2251 A c = 22.2916 h; Ly = 90” p = 90” y = 120°
DATA:
REFERENCE:
hkl 1 0
1
0 0 1 0 2 1 1 2 0 1 0 3 0 2 2 0 2 1 1 1 1 3 4 0
2 3 0 1 2 4 3 1 5 2 4 0 6 5 4 3 0 6 1 5 7 2 1 7
492
1 0 1 2 0 0 1 1 1 2 2 0 0 0 1 3 2 1 3 2 0 1 0 2
20 8.68 11.08 11.91 13.39 15.98 17.41 17.70 17.96 20.90 21.39 22.03 22.26 23.30 23.95 25.32 26.06 26.24 26.97 27.54 28.38 28.74 29.10 29.23 31.50 32.16
Zeolites
NU-3
L. B. McCusker, Mat. Sci. Forum Vol. 133-136, 423-434 (1993). and L. B. McCusker, private communication (1995).
d
fif
IreI
hk
10.187 7.988 7.430 6.613 5.547 5.094 5.011 4.940 4.249 4.155 4.035 3.994 3.818 3.715 3.518 3.419 3.396 3.306 3.239 3.145 3.106 3.068 3.055 2.840 2.783
6 6 2 6 6 6 6 12 12 6 12 6 6 2 6 12 6 6 12 12 12 6 12 6 6
17.6 54.6 0.5 27.1 4.9 66.4 7.0 13.6 14.5 55.2 100.0 0.4 12.3 4.6 5.5 1.2 0.7 22.9 1.5 3.8 26.0 29.5 9.1 1.1 4.7
0 1 0 0 3 3 2 2 4 2 4 0 2 3 4 1 1 0 3 1 4 4 0 3 0
16:323-602,
1996
128 4 3 1 3 2 1 1 3 0 0 1 0 2 2 1 2 1 5 3 0 0 2 5 3 3
2 4 8 6 1 5 7 2 4 8 0 9 6 4 3 8 9 1 0 10 7 2 4 3 9
32.28 32.44 33.09 33.66 34.37 34.67 34.98 35.09 35.24 35.84 35.93 36.27 36.37 37.85 37.98 38.42 38.82 39.55 40.94 41.26 42.45 42.55 42.68 42.79 43.56
d
iv
IreI
h,k
2.773 2.760 2.707 2.663 2.609 2.587 2.565 2.557 2.547 2.506 2.499 2.477 2.470 2.377 2.369 2.343 2.319 2.279 2.204 2.188 2.129 2.125 2.119 2.113 2.078
6 12 6 6 12 12 12 12 6 6 12 2 12 12 12 12 12 6 6 6 6 12 6 12 6
49.9 1.8 1.0 0.5 0.3 1.4 8.2 1.5 2.2 0.1 3.6 0.1 0.7 0.5 0.7 0.3 0.2 4.5 1.1 0.6 3.1 0.1 3.3 2.8 3.5
3 0 1 5 5 3 1 2 0 2 2 4 5 2 2 6 3 1 0 0 3 0 5
126’ 0 2 4 1 0 2 5 4 4 2 1 2 1 3 0 0 3 5 5 0 4 6 2
9 10 6 1 5 7 2 4 8 9 10 5 4 8 11 0 6 5 7 12 2 3 0
43.56 43.57 43.65 44.22 44.46 44.71 44.80 44.93 45.42 45.77 45.78 46.65 47.09 47.56 47.60 47.64 47.99 48.75 48.98 49.04 49.07 49.29 49.71
d 2.078 2.077 2.074 2.048 2.037 2.027 2.023 2.018 1.997 1.982 1.982 1.947 1.930 1.912 1.910 1.909 1.896 1.868 1.860 I.858 1.857 1.849 1.834
AJ
Irei
6 6 12 12 6 12 12 12 6 12 12 12 12 12 6 6 12 12 6 2 12 6 12
1.2 0.7 0.2 0.1 0.8 0.7 0.4 0.6 1.0 0.3 0.5 0.5 0.8 0.2 0.4 1.5 0.5 1.1 8.4 6.6 2.8 0.5 6.5
1-aminoadamantane
LEV
NU-3
h e
Zeolites
I&323-802,
1996
493
LIO
Liottite
COMPOSITION:
Si36072
CRYSTAL
PGm2 (No. 187) a = 12.26077 A h = 12.26077 A c = 15.67058 A p = 90” y = 120” Q = 90”
DATA:
REFERENCE:
hkl
20
1
0
0
1 1 1 2 2 1 2 2 2 2 1 2 3 3 2 2 2 1
0 0 1 0 0 0 0 1 1 0 0 1 0 0 1 0 2 0
1 2 0 0 1 3 2 0 1 3 4 2 0 2 3 4 0 5
494
8.33 10.06 14.05 14.45 16.70 17.64 18.93 20.20 22.15 22.87 23.90 24.21 24.93 25.16 27.65 28.04 28.31 29.13 29.72
Zeolites
SiO, framework
d 10.618 8.790 6.305 6.130 5.309 5.028 4.687 4.395 4.013 3.888 3.724 3.675 3.572 3.539 3.226 3.182 3.152 3.065 3.006
16:323-802,
S. Merlin0 and P. Orlandi, Am. Mineral. 62, 321 (1977). And J. M. Newsam, private communication (1990).
Aff
Ire1
6 12 12 6 6 12 12 12 12 24 12 12 24 6 12 24 12 6 12
27.0 37.9 16.7 100.0 2.9 6.0 56.7 3.8 4.6 7.7 20.9 4.0 6.2 21.9 0.1 24.1 1.5 9.0 1.7
1996
hkl 3 3 2 3 2 4 4 0 3 1 4 2 1 4 4 4 4 1 2
20 1 1 1 1 0 0 0 0 1 0 0 1 1 0 1 1 0 0 1
0 1 4 2 5 0 1 6 3 6 2 5 6 3 1 2 4 7 6
30.35 30.89 31.92 32.48 33.19 33.76 34.26 34.33 34.98 35.39 35.71 36.37 37.43 38.02 39.31 40.60 41.07 41.21 41.24
d
iv
IreI
hkl
2.945 2.894 2.803 2.757 2.699 2.654 2.617 2.612 2.565 2.536 2.514 2.470 2.403 2.367 2.292 2.222 2.198 2.191 2.189
12 24 24 24 12 6 12 2 24 12 12 24 12 12 24 24 12 12 24
0.2 1.0 1.8 1.3 0.7 4.7 5.0 6.9 5.8 0.8 3.1 0.9 0.3 7.6 0.1 0.2 1.2 0.7 1.2
5 4 5 3 3 3 4 4 5 2 1 3 5 5 4 5 4 5
0 1 0 0 2 3 0 1 0 1 0 2 1 1 2 0 0 1
0 3 1 6 4 0 5 4 3 7 8 5 0 1 3 4 6 2
20
d
iv
IreI
42.57 42.69 42.98 43.04 43.76 44.33 44.74 45.48 46.14 46.35 47.18 47.26 47.69 48.06 48.60 48.78 48.92 49.17
2.124 2.118 2.104 2.101 2.069 2.044 2.026 1.994 1.967 1.955 1.926 1.923 1.907 1.893 1.873 1.867 1.862 1.853
6 24 12 12 24 6 12 24 12 24 12 24 12 24 24 12 12 24
0.4 0.5 0.3 4.2 0.1 3.6 1.1 0.3 0.4 1.2 0.3 0.1 0.5 0.7 0.5 0.2 1.4 0.6
Liottite
SiO, framework
Zeolites
16:323-602,
1996
495
LOS
Losod COMPOSITION:
Nalz(SilzAl1:!048).l8H2O Synthetic material.
CRYSTAL
P6smc (No. 186) a = 12.906 A b = 12.906 A cy = 90” p = 90”
DATA:
REFERENCE:
hlcl 1 1 1 2 0 2 1 2 1 2 2 3 3 1 2 2 3 3 2 3 4
496
0 0 0 1 1 0 0 0 0 2 0 1 0 2 1 0 1 2 1 1 0 2 0 0 0 1 0 3 1 2 2 0 1 0 0 2 0 3 1 1 0 0
P. A. Schicker, Ph.D. Thesis No. 8494, ETH
28
d
iv
Ire1
h
k
7.91 11.54 13.72 15.86 16.82 17.97 18.61 21.03 21.77 22.68 23.20 23.88 25.35 26.59 27.05 27.65 28.80 29.36 30.04 30.05 32.03
11.177 7.669 6.453 5.589 5.270 4.938 4.767 4.224 4.082 3.921 3.834 3.726 3.513 3.352 3.296 3.226 3.100 3.042 2.975 2.974 2.794
6 12 6 6 2 12 12 12 12 24 12 6 12 12 24 6 12 12 12 24 6
10.8 42.4 100.0 3.6 0.1 5.4 71.4 6.8 2.7 52.2 8.2 65.0 5.1 9.8 81.8 3.9 6.9 0.7 0.9 15.5 11.5
2 2 4 3 0 1 3 3 3 4 1 4 2 3 3 2 5 4 4 5 3
2 2 1 3 0 1 1 2 0 4 0 4 2 0 0 3 2 1 0 2 1 4 1 0 0 4 1 3 2 2 1 4 0 0 1 2 0 3 0 1 0 4
Zeolites
16:323-602,
1996
1
c = 10.541 A y = 120”
Zurich
(1988).
28
d
A4
Ire1
h
k
1
20
d
M
Ire1
32.54 33.16 33.17 33.54 34.02 34.98 34.99 35.11 36.05 36.39 36.84 36.85 37.74 38.74 39.06 40.34 40.35 40.76 41.28 41.28 41.99
2.752 2.701 2.701 2.672 2.635 2.565 2.564 2.556 2.492 2.469 2.440 2.439 2.383 2.325 2.306 2,236 2.235 2.214 2.187 2.187 2.151
12 24 12 24 2 12 12 12 24 12 12 12 12 24 24 24 6 24 12 12 12
1.9 13.7 47.4 26.1 34.7 0.9 0.3 4.4 1.0 19.1 2.0 1.7 0.5 0.2 6.0 1.0 0.1 0.7 6.7 1.0 13.0
3 1 3 4 5 2 3 3 2 5 4 4 2 5 5 3 4 3 6
3 0 2 2 0 2 1 3 0 1 2 0 1 0 1 2 3 0 0
0 5 3 1 2 4 4 2 5 1 2 4 5 3 2 4 0 5 1
42.00 43.69 43.70 43.71 44.00 44.38 45.16 45.55 46.01 46.02 46.31 47.42 48.24 48.25 48.53 49.60 49.61 49.69 49.70
2.151 2.072 2.071 2.071 2.058 2.041 2.008 1.992 1.972 1.972 1.961 1.917 1.886 1.886 1.876 1.838 1.837 1.835 1.834
6 12 24 24 12 12 24 12 12 24 24 12 24 12 24 24 12 12 12
12.9 0.3 2.9 0.7 5.3 0.1 0.8 0.9 0.3 3.3 1.5 3.3 4.5 0.1 3.4 0.2 0.3 1.1 1.4
LOS
Losod
3 3
Zeolites
16:323-802,
1996
497
LOV
Lovdarite
COMPOSITION:
CRYSTAL
(Nal2K4)(Si28Be8072).18H20 Mt. Karnasurt, Lovezero
DATA:
Pma2 (No. 28) a = 39.576 A b = 6.9308 A Q = 90” p = 90” S. Merlino. Eur. J. Mineral.
REFERENCE:
hkl 2 4 0 0 1 2 6 2 3 4 4 5 0 8 1 6 2 6 3 4 7 5 8 8 10 7 9 0 2 8 0 10 1 10 2 4 3 12 9 4 11 0 5 1 6 498
0 0 0 0 0 1 1 0 1 0 0 1 0 0 1 0 1 0 0 1 1 0 1 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 0 1 1 0 1 1 0 0 0 1 1 1 0 0 2 0 2 1 1 2 0 0 1 2 0 1 0 2 0 0 2 2 0 0 0 1 1 2 0 1 0 1 2 2 0 1 2 0 2
28
d
M
I Id
4.47 8.94 12.37 12.77 12.97 13.16 13.42 13.54 14.44 15.29 15.61 17.00 17.82 17.93 17.96 18.30 18.38 18.57 19.06 19.97 20.27 21.08 21.84 22.08 22.46 23.82 23.97 24.90 25.31 25.38 25.71 25.73 25.81 25.92 26.10 26.50 26.59 27.04 27.06 27.27 27.94 28.08 28.11 28.17 28.39
19.788 9.894 7.153 6.931 6.827 6.727 6.596 6.541 6.136 5.797 5.677 5.214 4.977 4.947 4.939 4.849 4.827 4.778 4.657 4.446 4.381 3.214 4.069 4.027 3.958 3.736 3.713 3.576 3.519 3.509 3.465 3.463 3.452 3.437 3.413 3.363 3.352 3.298 3.296 3.271 3.193 3.178 3.174 3.168 3.144
2 2 2 2 4 4 2 4 4 4 4 4 4 2 8 4 8 4 8 8 4 8 4 4 2 8 4 2 4 8 2 4 4 4 4 4 4 2 8 4 4 4 4 8 4
0.2 33.1 19.3 0.1 1.2 58.9 3.3 50.8 10.0 60.8 3.3 1.1 100.0 10.6 6.1 4.2 0.2 3.0 1.0 5.3 2.7 0.9 4.5 0.3 0.7 2.4 4.5 0.4 21.2 10.9 5.6 25.4 2.6 16.3 14.4 15.6 4.0 82.3 4.7 5.1 44.4 29.2 3.1 0.6 49.7
Zeolites
16:323-802,
1996
Pluton,
hkl 2 0 1 10 3 2 6 3 4 12 4 7 5 11 5 8 6 8 14 6 13 7 12 7 8 10 8 14 14 10 13 9 9 11 0 1 10 16 2 15 14 10 3 12 4
1 2 2 1 1 2 2 2 1 0 2 2 1 1 2 0 1 2 0 2 1 1 1 2 1 0 2 0 1 2 1 1 2 2 2 2 1 0 2 1 1 2 2 0 2
2 1 1 1 2 1 0 1 2 1 1 0 2 1 1 2 2 0 0 1 0 2 1 1 2 2 1 1 0 0 1 2 1 0 2 2 2 0 2 0 1 1 2 2 2
2, 809-817
Russia.
c = 7.1526 .h y = 90”
(1990).
28
d
M
Ire1
h
k
1
20
d
M
I rrl
28.44 28.62 28.71 28.82 28.90 28.98 29.11 29.43 29.52 29.83 30.04 30.25 30.30 30.66 30.82 30.85 31.24 31.52 31.65 31.74 32.11 32.31 32.57 32.80 33.51 33.78 33.98 34.10 34.26 34.40 34.5-l 34.83 35.28 35.98 36.09 36.16 36.25 36.32 36.38 36.44 36.55 36.69 36.75 37.08 37.25
3.138 3.119 3.109 3.098 3.090 3.081 3.068 3.035 3.026 2.995 2.974 2.955 2.949 2.916 2.901 2.898 2.863 2.838 2.827 2.819 2.787 2.770 2.749 2.731 2.674 2.653 2.638 2.629 2.618 2.607 2.597 2.576 2.544 2.496 2.489 2.484 2.478 2.474 2.469 2.466 2.458 2.450 2.446 2.424 2.413
8 4 8 8 8 8 4 8 8 4 8 4 8 8 8 4 8 4 2 8 4 8 8 8 8 4 8 4 4 4 8 8 8 4 4 8 8 2 8 4 8 8 8 4 8
78.9 26.4 16.0 7.4 0.4 57.0 34.7 19.1 10.9 9.5 6.5 15.3 3.7 -1.7 21.3 0.7 10.6 0.1 1.9 2.9 0.1 0.7 27.9 3.1 32.4 3.0 5.0 7.1 0.5 7.8 0.4 0.8 9.2 0.2 12.9 0.3 17.6 7.3 2.2 7.0 5.2 5.3 2.2 2.8 0.5
12 0 11 5 2 11 16 15 16 6 4 0 1 2 12 13 7 3 12 0 1 4 6 2 8 3 5 14 16 17 18 13 0 4 1 14 2 6 13 3 5 8 4 7 6
2 0 1 2 0 2 0 1 1 2 0 3 3 3 1 2 2 3 2 1 1 3 0 1 2 1 3 0 1 1 0 1 3 1 3 2 3 3 2 3 1 0 3 3 1
0 3 2 2 3 1 1 1 0 2 3 0 0 0 2 0 2 0 1 3 3 0 3 3 2 3 0 2 1 0 0 2 1 3 1 0 1 0 1 1 3 3 1 0 3
37.65 37.73 37.77 37.90 38.01 38.19 38.51 38.62 38.65 38.67 38.85 38.99 39.05 39.26 39.37 39.40 :39.56 39.60 39.78 39.99 40.06 40.08 40.22 40.26 40.58 40.59 40.68 40.68 40.73 40.89 41.05 41.06 41.06 41.06 41.12 41.21 41.32 41.41 41.45 41.65 41.65 42.07 42.10 42.26 42.37
2.389 2.384 2.382 2.374 2.367 2.357 2.338 2.331 2.330 2.328 2.318 2.310 2.306 2.295 2.288 2.287 2.278 2.276 2.266 2.2Fj5 2.251 2.250 2.242 2.240 2.223 2.222 2.218 2.218 2.215 2.207 2.199 2.198 2.198 2.198 2.195 2.191 2.185 2.180 2.179 2.169 2.168 2.148 2.146 2.139 2.133
4 2 8 8 4 8 4 8 4 8 4 2 4 4 8 4 8 4 8 4 8 4 4 8 8 8 4 4 8 4 2 8 4 8 8 4 8 4 8 8 8 4 8 4 8
2.2 2.3 5.0 4.1 5.1 2.5 3.9 2.5 0.4 0.7 1.8 0.8 0.1 5.1 23.1 6.9 0.1 7.4 3.6 2.6 2.0 5.7 0.7 1.0 2.8 2.0 0.4 2.2 1.7 4.0 0.2 3.3 3.1 8.9 1.0 2.1 0.3 0.3 1.9 1.0 1.9 0.1 6.0 0.4 4.2
LOV
Lovdarite
<:
Zeolites
16:323-802,
1996
499
LTA
Hydrated
COMPOSITION:
Nass(Si96A1960384).216H20
CRYSTAL
FmSc (No. 226) b = 24.61 Bi a = 24.61 A
DATA:
REFERENCE:
2 2 2 4 4 4 4 5 4 6 6 6 4 6 6 8 6 8
500
0 2 2 0 2 2 4 31 4 0 2 2 4 4 4 0 4 2
0 0 2 0 0 2 0 2 0 0 2 4 0 2 0 4 0
20
d
M
Ire,
12.305 8.701 7.104 6.153 5.503 5.024 4.350 4.160 4.102 4.102 3.891 3.710 3.552 3.413 3.289 3.076 2.984 2.984
6 12 8 6 24 24 12 48 24 6 24 24 8 24 48 6 24 24
100.0 51.3 31.8 0.5 20.3 2.4 3.6 2.1 22.8 10.6 1.2 44.3 0.7 10.1 41.0 0.4 19.7 19.9
16:323-602,
1996
ii
V. Gramlich and W. M. Meier, Z. Kristallogr. 133, 134-149 (1971).
7.18 10.17 12.46 14.40 16.11 17.65 20.41 21.36 21.67 21.67 22.85 23.99 25.07 26.11 27.11 29.03 29.94 29.94
teolites
c = 24.61 y = 90"
p = 90"
a: = 90"
hkl
Linde Type A
hkl 6 8 6 8 8 6 9 8 8 10 10 6 10 8 10 10 8 10
6 2 6 4 4 6 3 4 6 0 2 6 2 6 4 4 8 4
0 2 2 0 2 4 1 4 0 0 0 6 2 4 0 2 0 4
29
d
M
Irrl
30.83 30.83 31.70 32.54 33.37 34.18 34.77 35.75 36.51 36.51 37.26 38.00 38.00 39.43 39.43 40.14 41.51 42.19
2.900 2.900 2.823 2.752 2.685 2.623 2.580 2.512 2.461 2.461 2.413 2.368 2.368 2.285 2.285 2.247 2.175 2.142
12 24 24 24 48 24 48 24 24 6 24 8 24 48 24 48 12 24
2.3 5.4 0.2 9.3 3.0 27.1 0.1 4.7 0.4 4.1 0.1 1.4 1.6 1.0 0.3 2.2 4.3 3.4
h k 8 10 10 8 12 12 12 12 8 10 12 10 10 12 10 12
6 6 6 8 0 2 2 4 8 8 4 8 6 4 8 6
1 6 0 2 4 0 0 2 0 6 0 2 2 6 4 4 0
26, 42.85 42.85 43.51 44.16 44.16 44.80 45.44 46.69 47.30 47.30 47.30 47.91 48.51 49.11 49.70 49.70
d
M
IreI
2.110 2.110 2.080 2.051 2.051 2.023 1.996 1.946 1.922 1.922 1.922 1.899 1.877 1.855 1.834 1.834
24 24 48 24 6 24 24 24 24 24 48 48 24 24 48 24
2.3 1.2 1.8 0.9 7.8 0.5 0.1 0.2 4.2 2.3 0.3 5.1 0.3 0.9 1.8 0.9
Hydrated
Linde Type
A
J --I
Zeolites
16:323-602,
1996
501
LTA
Dehydrated
COMPOSITION:
Nag1,7(Sig6A1960384)
CRYSTAL
FmSc (No. 226) a = 24.555 A b = 24.555 A p zz 90” a = 90”
DATA:
REFERENCE:
hkl 2 2 2 4 4 4 5 4 6 6 6 4 6 6
502
0 2 2 2 2 4 3 4 0 2 2 4 4 4
0 0 2 0 2 0 1 2 0 0 2 4 0 2
d
Al
IreI
7.20 10.19 12.49 16.14 17.69 20.46 21.41 21.72 21.72 22.91 24.04 25.13 26.17 27.18
12.278 8.681 7.088 5.491 5.012 4.341 4.151 4.093 4.093 3.882 3.702 3.544 3.405 3.281
6 12 8 24 24 12 48 24 6 24 24 8 24 48
100.0 49.6 22.4 20.1 1.9 3.0 0.8 8.4 1.3 0.1 13.7 0.3 0.6 9.0
16:323-802,
c = 24.555 w y = 90”
J. J. Pluth and J. V. Smith, J. Am. Chem. Sot. 102, 470444708
28
Zeolites
Linde Type A
1996
hkl 6 8 6 8 8 8 6 8 10 6 10 8 10 10
4 2 6 2 4 4 6 4 0 6 2 6 4 4
4 0 0 2 0 2 4 4 0 6 2 4 0 2
28
d
hl
IreI
30.01 30.01 30.90 30.90 32.62 33.45 34.26 35.83 36.59 38.08 38.08 39.53 39.53 40.23
2.978 2.978 2.894 2.894 2.745 2.679 2.618 2.506 2.455 2.363 2.363 2.280 2.280 2.242
24 24 12 24 2-l 48 24 24 6 8 24 48 24 48
4.6 6.4 0.6 1.2 1.4 1.0 8.4 0.8 3.0 1.3 0.2 0.2 0.1 0.5
(1980).
h,kl 8 10 8 10 10 8 12 12 12 8 10 10 10
8 4 6 6 6 8 0 2 4 '3 8 8 8
0 4 6 0 2 4 0 0 0 6 0 2 4
28
d
-u
IreI
41.61 42.29 42.95 42.95 43.61 44.26 44.26 44.91 46.80 47.41 47.41 48.02 49.82
2.170 2.137 2.106 2.106 2.075 2.046 2.046 2.018 1.941 1.917 1.917 1.894 1.830
12 24 24 24 48 24 6 24 2-l 24 24 48 .1x
1.3 1.3 1.0 0.5 0.9 0.5 2.2 0.1 0.2 1.2 0.6 1.8 0.4
Dehydrated
LTA
Linde Type A
Zeolites
16:323802.
1996
503
LTL
Perlialite
COMPOSITION:
Klz(Si24A112072).20HzO Murun Massif, Russia.
CRYSTAL
PG/mmm (No. a = 18.5432 A CY= 90”
DATA:
REFERENCE:
h
k
10 1 1 2 0 0 0 1 0 2 1 2 0 3 0 2 1 2 2 3 1 3 0 4 0 2 2 3 1 0 0 3 2 1 0 4 0 4 1 1 1 3 2 5 0 2 1 4 1 3 0 4 2 2 2 5 1
504
1 0 0 0 1 1 0 1 0 1 0 0 1 0 1 1 2 0 2 1 0 2 1 0 2 1 2 0 2 0
Zeolites
20 5.50 9.54 11.02 11.75 12.98 14.59 16.14 16.56 18.78 19.14 19.93 20.35 22.14 22.52 23.20 23.63 24.16 24.28 25.14 25.42 25.53 26.94 27.78 27.88 28.08 28.99 29.43 30.59 31.00
d 16.059 9.272 8.029 7.531 6.819 6.070 5.493 5.353 4.726 4.636 4.454 4.363 4.015 3.948 3.834 3.766 3.684 3.666 3.543 3.504 3.489 3.309 3.212 3.200 3.177 3.080 3.035 2.923 2.884
16:323-802.1996
191) b = 18.5432 A /3 = 90”
c = 7.5310 .J! y = 120”
G. Artioli and A. Kvick: Eur. J. Mineral. 2, 749-759 (1990).
A,1 6 6 6 2 12 12 12 6 24 6 12 12 6 12 24 2 12 12 12 12 12 24 6 24 24 12 12 12 12
1 rel
h
k
1
20
d
100.0 3.5 3.3 0.4 0.6 3.9 2.9 19.9 1.6 13.3 1.8 11.3 2.5 48.7 12.2 4.8 3.2 4.1 0.9 1.4 19.9 3.4 16.8 6.0 3.5 31.7 5.1 6.6 3.0
3 3 4 4 5 6 3 4 6 0 4 1 6 5 5 I 2 3 4 6 2 4 5 7 5 3 6 4 2
1 3 2 0 1 0 2 1 0 0 3 0 1 0 2 1 0 3 2 1 1 4 3 0 1 0 2 4 2
2 1 1 2 1 0 2 2 1 3 1 3 0 2 1 3 3 2 2 1 3 0 0 0 2 3 0 1 3
31.10 31.28 31.79 32.60 33.26 33.48 34.04 34.98 35.60 35.77 36.05 36.22 36.70 36.78 36.94 37.10 37.54 37.65 38.08 38.66 38.82 38.85 39.27 39.27 39.35 39.65 40.51 40.73 40.88
2.876 2.859 2.815 2.746 2.693 2.676 2.633 2.565 2.522 2.510 2.491 2.480 2.449 2.444 2.433 2.423 2.396 2.389 2.363 2.329 2.320 2.318 2.294 2.294 2.290 2.273 2.227 2.215 2.207
T
hf
24 12 24 12 24 6 24 24 12 2 24 12 12 12 24 12 12 12 24 24 24 6 12 6 24 12 12 12 12
IreI
0.1 11.8 5.0 4.9 2.6 24.7 10.9 4.7 5.2 0.3 10.7 0.7 0.2 2.8 5.7 0.4 0.7 5.8 0.3 0.5 0.4 0.9 2.1 2.2 0.7 5.2 0.3 8.3 6.7
hk120 7 3 6 4 6 5 5 6 7 4 6 8 5 5 7 6 3 8 4 7 5 0 1 5 7 1 6
0 1 0 3 2 2 4 1 I 1 3 0 0 3 0 3 3 0 2 2 1 0 0 5 1 1 4
1 3 2 2 1 2 0 2 1 3 0 0 3 2 2 1 3 1 3 1 3 4 4 0 2 4 0
41.13 41.28 41.39 41.79 42.32 42.57 44.04 44.11 44.25 44.39 44.79 45.17 45.88 46.34 46.34 46.47 46.61 46.84 46.97 47.91 48.05 48.34 48.69 49.13 49.20 49.39 49.48
d
M
Ire1
2.195 2.187 2.182 2.162 2.136 2.124 2.056 2.053 2.047 2.041 2.023 2.007 1.978 1.959 1.959 1.954 1.949 1.940 1.934 1.898 1.894 1.883 1.870 1.854 1.852 1.845 1.842
12 24 12 24 24 24 12 24 24 24 12 6 12 24 12 24 12 12 24 24 24 2 12 6 24 12 12
1.9 0.3 4.5 1.2 1.4 0.8 0.6 0.3 2.2 0.2 0.5 0.2 0.3 2.1 0.7 3.5 2.1 2.9 0.9 0.7 0.2 4.4 0.5 0.3 1.0 1.1 0.3
Perlialite
7 Zeolites
16:323-802,
1996
505
LTL
Linde he
COMPOSITION:
(Na3K6)(SipA19072).21H20
CRYSTAL
PG/mmm (No. 191) a = 18.40 A b = 18.40 8, a = 90” p = 90”
DATA:
REFERENCE
h 10 110 2 0 1 2 1 2 3 2 2 3 3 4 2 3 1 3 4 1 4 2 3 2 5 4 3 3 4
506
k
0 0 0 1 1 0 0 1 2 1 0 0 2 1 0 2 0 1 1 0 2 1 0 1 0 3 2
1
28
0
5.55 9.61 11.10 11.77 13.02 14.71 15.22 16.21 16.69 18.88 19.30 20.09 20.47 22.32 22.66 23.35 24.32 24.35 25.30 25.59 25.62 26.21 27.12 27.97 28.00 28.28 29.10 29.12 29.66
0 1 1 0 1 1 0 1 0 0 1 0 1 1 2 0 1 2 0 2 1 2 0 1 2 0 0
Zeolites
L
d 15.935 9.200 7.967 7.520 6.801 6.023 5.822 5.469 5.312 4.701 4.600 4.420 4.339 3.984 3.924 3.810 3.660 3.656 3.520 3.481 3.477 3.400 3.288 3.190 3.187 3.156 3.069 3.067 3.011
16:323-802,
c = 7.52 A y = 120°
R. M. Barrer and H. Villiger, Z. Kristallogr. 128, 352-270 (1969).
M
I rel
hkl
6 6 6 2 12 12 12 12 6 24 6 12 12 6 12 24 12 12 12 12 12 12 24 24 6 24 12 6 12
100.0
5 2 3 5 3 3 5 6 3 4 5 0 6 1 4 5 6 1 5 3 4 6 4 5 5 7 6 2 4
1996
2.2 1.9 24.3 1.7 17.5 10.6 0.2 0.7 1.0 18.3 3.5 11.6 1.5 22.7 0.3 16.1 0.5 0.4 11.5 5.3 1.3 12.1 5.7 20.9 3.2 15.4 3.0 4.8
0 2 1 1 3 2 1 0 2 1 2 0 0 0 3 0 1 1 2 3 2 1 4 1 3 0 2 2 4
1 2 2 0 1 1 1 0 2 2 0 3 1 3 1 2 0 3 1 2 2 1 0 2 0 0 0 3 1
20
d
Al
I rel
h
k
30.46 30.71 31.23 31.25 31.50 32.01 33.50 33.75 34.21 35.15 35.17 35.82 Sri.86 36.28 36.31 36.9: 36.99 37.17 37.21 37.86 38.29 38.95 39.17 39.57 39.59 39.59 40.84 41.00 41.04
2.934 2.911 2.864 2.862 2.840 2.796 2.675 2.656 2.621 2.553 2.552 2.507 2.504 2.476 2.474 2.431 2.430 2.419 2.416 2.377 2.350 2.312 2.300 2.277 2.276 2.276 2.210 2.201 2.199
12 12 24 12 12 24 24 6 24 24 12 2 12 12 24 12 12 12 24 12 24 24 6 24 12 6 12 12 12
0.8 25.2 2.3 0.2 1.6 2.9 2.8 11.3 8.3 0.1 3.1 0.8 4.6 0.1 4.4 0.1 5.5 0.3 1.8 0.3 0.4 0.2 3.7 0.5 0.4 0.2 0.4 2.0 6.7
3 5 6 4 6 7 3 6 4 7 6 8 5 5 4 5 7 7 3 8 6 5 7 0 1 1 7 5 2
1 3 0 0 2 1 2 1 1 1 3 0 0 4 4 3 0 2 3 0 2 1 2 0 0 1 1 5 0
1 3 1 2 3 1 0 3 2 3 1 0 0 3 1 2 2 2 0 3 1 2 3 1 4 4 4 2 0 4
26,
d
M
Ire,
41.41 41.44 41.63 42.61 42.64 42.85 43.79 44.39 44.56 44.59 45.16 45.54 46.07 46.10 46.27 46.64 46.64 46.66 46.81 47.20 47.74 48.26 48.29 48.42 48.77 49.48 49.52 49.54 49.84
2.180 2.179 2.169 2.122 2.120 2.111 2.067 2.041 2.033 2.032 2.008 1.992 1.970 1.969 1.962 1.947 1.947 1.947 1.941 1.925 1.905 1.886 1.885 1.880 1.867 1.842 1.841 1.840 1.830
24 24 12 12 24 12 24 24 24 24 12 6 12 24 12 24 12 12 12 12 24 24 24 2 12 12 24 6 12
0.1 0.4 0.4 0.8 0.2 0.1 0.4 1.1 0.9 0.5 0.9 0.4 0.4 0.9 0.2 0.7 0.2 0.6 0.5 0.4 0.7 0.8 0.3 7.2 0.4 0.1 0.2 1.7 0.1
Linde Type
LTL
L
Zeolites
16:323-802,
1996
507
LTN
NaZ-21
COMPOSITION:
Na384(Si384A138401536).394H20
CRYSTAL
F& (No. 203) origin at centre b = 36.95 A a = 36.95 A Q = 90” p = 90”
DATA:
REFERENCE:
h 1 2 3 2 4 3 3 5 4 5 5 4 6 6 5 6 4 5 6 5 7 7 8 7 6 8 5 7 6 8 8 7 7 9 8 6 8 7 7 9 8 8 7 9 9
k 1 2 1 2 0 3 3 1 4 1 3 4 0 2 3 2 4 5 2 5 1 3 0 3 6 2 5 1 6 0 4 3 5 1 2 6 4 5 7 3 2 6 7 1 5
508
1 1 0 1 2 0 1 3 1 0 3 1 2 2 0 3 2 4 1 4 3 3 1 0 3 0 2 5 5 2 4 0 5 3 1 4 4 4 5 1 3 6 2 3 5 1
20 4.14 6.77 7.94 8.29 9.57 10.44 12.45 12.45 13.56 14.18 14.18 14.38 15.16 15.16 15.73 15.91 16.62 17.14 17.96 18.44 18.44 18.44 19.22 19.67 20.39 20.39 20.82 20.82 20.96 21.51 21.51 21.91 21.91 21.91 22.05 22.57 23.59 23.96 23.96 23.96 24.57 24.57 24.93 24.93 24.93
Zeolites
d 21.333 13.064 11.141 10.667 9.238 8.477 7.111 7.111 6.532 6.246 6.246 6.158 5.842 5.842 5.635 5.570 5.333 5.174 4.938 4.810 4.810 4.810 4.619 4.514 4.355 4.355 4.267 4.267 4.239 4.131 4.131 4.056 4.056 4.056 4.032 3.939 3.771 3.714 3.714 3.714 3.623 3.623 3.572 3.572 3.572
16:323-802,
(3) c = 36.95 ii y = 90”
Y. F. Shepelev, Y. I. Smolin, I. K. Butikova Doklady Akad. Nauk SSSR 272, 1133-1137
M 8 12 24 8 6 24 8 24 12 24 24 24 12 12 24 24 8 24 24 24 24 24 6 24 12 24 8 24 24 12 12 24 24 24 24 24 24 24 24 24 24 24 24 24 24
I Xl 34.7 100.0 54.6 7.5 24.0 4.8 0.8 10.4 58.6 13.5 14.3 0.8 0.9 4.4 6.5 2.8 2.9 12.6 2.1 0.3 6.2 4.8 0.2 4.6 3.6 3.9 1.0 1.0 1.7 6.7 1.3 7.7 14.1 6.7 1.0 5.5 17.9 3.1 1.7 24.0 0.2 1.2 1.9 1.2 2.1
1996
h 6 10 9 9 8 8 10 10 7 8 9 9 9 11 11 8 10 8 10 9 9 11 10 10 7 11 11 10 10 12 9 9 11 11 12 12 9 8 12 12 10 10 9 11 11
k 6 2 3 5 4 6 2 4 7 8 1 5 7 1 3 8 4 6 0 3 7 3 2 6 7 1 5 4 6 2 5 7 3 5 0 4 9 8 2 4 2 8 9 1 5
1 6 2 5 3 6 4 4 2 5 0 7 5 1 3 1 2 4 6 6 7 3 3 6 2 7 5 1 6 4 2 7 5 5 3 4 0 1 6 4 2 8 2 3 7 5
28 25.04 25.04 25.86 25.86 25.97 25.97 26.42 26.42 26.76 27.31 27.63 27.63 27.63 27.63 27.63 27.74 27.74 28.16 28.16 28.48 28.48 28.48 28.58 28.58 29.30 29.30 29.30 29.81 29.81 29.81 30.11 30.11 30.11 30.11 30.60 30.60 30.90 30.99 30.99 30.99 31.38 31.38 31.66 31.66 31.66
d 3.556 3.556 3.446 3.446 3.431 3.431 3.373 3.373 3.332 3.266 3.228 3.228 3.228 3.228 3.228 3.216 3.216 3.168 3.168 3.134 3.134 3.134 3.123 3.123 3.048 3.048 3.048 2.997 2.997 2.997 2.968 2.968 2.968 2.968 2.921 2.921 2.894 2.885 2.885 2.885 2.851 2.851 2.826 2.826 2.826
M 8 24 24 24 24 24 24 24 24 12 24 24 24 24 24 24 24 24 12 24 24 24 24 24 8 24 24 24 24 24 24 24 24 24 12 12 24 24 24 24 24 24 24 24 24
IA 0.8 1.6 2.9 2.3 1.5 1.0 5.0 2.3 0.2 0.8 2.2 0.2 3.6 1.1 2.1 1.1 2.0 0.9 0.7 1.5 3.9 6.6 0.2 0.4 0.8 2.0 1.3 11.7 7.0 7.7 0.1 0.2 0.4 0.8 2.7 2.2 0.4 0.1 3.2 1.9 1.0 0.6 0.1 1.6 5.7
and V. I. Tarasov, (1975).
h
k
11 13 10 12 9 11 11 13 13 10 10 12 12 9 13 8 12 12 10 10 10 14 14 13 13 14 9 11 11 12 12 12 14 11 13 13 12 12 11 11 13 15 10 14 14
7 1 6 4 7 3 7 1 3 4 8 2 6 9 3 8 4 6 6 8 10 0 2 3 5 2 9 3 9 2 8 6 2 7 1 7 4 8 5 9 7 1 8 4 0
1 1 1 6 3 7 7 3 3 1 8 4 6 2 5 3 8 6 4 8 6 0 2 0 5 3 2 7 9 3 8 2 6 4 7 7 1 8 4 9 5 3 1 8 4 6
28
d
31.66 31.66 31.76 32.14 32.42 32.42 32.42 32.42 32.42 32.51 32.51 32.88 32.88 33.15 33.15 33.61 33.97 33.97 34.32 34.32 34.32 34.32 34.32 34.59 34.59 34.67 35.28 35.28 35.28 35.37 35.37 35.71 35.71 35.97 35.97 35.97 36.39 36.39 36.64 36.64 36.64 36.64 36.73 36.73 37.06
2.826 2.826 2.817 2.785 2.762 2.762 2.762 2.762 2.762 2.754 2.754 2.724 2.724 2.702 2.702 2.667 2.639 2.639 2.613 2.613 2.613 2.613 2.613 2.593 2.593 2.587 2.544 2.544 2.544 2.538 2.538 2.514 2.514 2.497 2.497 2.497 2.469 2.469 2.453 2.453 2.453 2.453 2.447 2.447 2.426
M-
IreI
24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 8 24 24 24 24 12 12 12 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 12
3.4 0.9 0.5 6.8 9.7 0.6 0.2 8.9 10.6 0.2 0.9 2.3 2.2 6.1 0.3 12.2 0.3 0.3 1.8 2.3 0.1 2.0 0.5 0.7 0.7 0.6 3.9 0.2 0.6 0.2 0.2 1.9 0.3 0.3 0.2 0.1 0.5 0.8 3.3 2.1 0.1 8.2 5.1 0.1 0.2
LTN
NaZ-21
t
3 -5 -
Zeolites
16:323-802,
1996
609
MAZ
Mazzite
(Na~.8K~.sCal.~~~g~,l)(Si26.~A1~.9072).~8H20
COMPOSITION:
Mont CRYSTAL
DATA:
P6s/mmc (No. n = 18.392 A a = 90”
REFERENCE:
hkl 10 1 2 1 2 2 3 2 2 3 3 4 3 0 1 3 4 1 4 2 3 5 4 3 3 4 5 2
510
28 1 0 0 1 0 0 1 2 1 0 0 1 0 0 2 0 1 1 0 2 0 1 0 3 2 0 2
0 0 0 1 0 1 0 1 0 0 1 0 1 2 2 0 1 2 0 2 1 0 1 2 0 0 1 2
5.55 9.62 11.11 12.84 14.71 16.07 16.70 18.76 19.30 20.10 20.36 22.33 23.25 23.27 23.94 24.36 25.22 25.23 25.63 25.85 27.04 28.01 28.20 28.78 29.13 29.68 30.40 30.41
Zeolites
d 15.928 9.196 7.964 6.893 6.020 5.515 5.309 4.730 4.598 4.418 4.361 3.982 3.825 3.823 3.717 3.654 3.532 3.530 3.476 3.446 3.297 3.186 3.164 3.102 3.065 3.010 2.941 2.940
16:323-802,
Semiol, Loire. France.
E. Galli, Rend. Sot. Ital.
iid
Ire,
6 6 6 12 12 12 6 24 6 12 12 6 24 2 12 12 12 12 12 12 24 6 24 12 6 12 12 12
98.1 92.2 39.7 25.3 45.0 5.1 16.4 50.4 1.3 9.1 1.4 11.6 97.3 14.3 36.2 31.9 0.2 100.0 5.2 8.7 2.1 83.7 0.4 35.4 25.4 31.6 54.5 48.2
1996
hkl 3 5 4 5 6 3 4 4 5 1 6 5 6 2 5 3 4 2 6 4 3 5 5 7 6 3 5 7
1 1 2 1 0 2 3 1 2 0 0 0 1 0 2 3 2 1 1 4 0 1 3 0 2 1 3 0
2 0 1 1 0 2 0 2 0 3 1 2 0 3 1 2 2 3 I 0 3 2 0 0 0 3 1 1
194) b = 18.392 H, p = 90”
Mineral.
Petrol.
c = 7.646 i% y = 120°
31, 599-612
26
d
Iif
Ire1
hkl
30.93 31.27 31.95 33.44 33.76 33.94 34.24 34.89 35.19 35.68 35.81 36.72 37.01 37.03 37.16 37.61 38.05 38.35 38.90 39.18 39.21 39.34 39.61 39.61 40.85 40.88 41.40 41.40
2.891 2.861 2.801 2.679 2.655 2.641 2.619 2.572 2.550 2.517 2.508 2.447 2.429 2.427 2.420 2.391 2.365 2.347 2.315 2.299 2.298 2.290 2.275 2.275 2.209 2.208 2.181 2.181
24 12 24 24 6 24 12 24 12 12 12 12 12 12 23 12 24 24 24 6 12 24 12 6 12 24 24 12
0.3 3.7 2.0 13.9 4.6 16.3 0.7 0.2 18.0 1.4 3.2 3.1 1.0 3.5 3.7 7.4 3.1 0.5 0.4 12.7 0.1 0.5 0.5 0.3 3.4 1.2 0.3 0.7
6 4 6 5 3 6 7 6 8 5 5 4 5 7 7 4 6 8 6 0 5 1 7 1 2 5 6 6
(1975).
0 0 2 2 2 1 1 3 0 0 4 4 3 0 2 2 3 0 2 0 1 0 2 1 0 5 0 4
2 3 1 2 3 2 1 0 0 3 1 2 2 2 0 3 1 1 2 4 3 4 1 4 4 0 3 0
20
d
41.41 42.09 42.60 42.61 43.28 44.17 44.55 45.18 45.56 45.58 46.06 46.07 46.44 46.44 46.68 46.70 46.80 47.17 47.54 47.57 47.79 47.93 48.26 48.65 49.01 49.56 49.58 49.91
2.181 2.147 2.122 2.122 2.090 2.050 2.034 2.007 1.991 1.990 1.971 1.970 1.955 1.955 1.946 1.945 1.941 1.927 1.913 1.912 1.903 1.898 1.886 1.872 1.859 1.839 1.838 1.827
lb! IreI 12 12 24 24 24 24 24 12 6 12 24 12 24 12 12 24 24 12 24 2 24 12 24 12 12 6 12 12
0.6 8.9 9.8 0.8 3.6 6.8 4.0 4.1 3.6 8.4 2.1 3.7 1.2 0.4 0.5 1.4 3.1 1.1 0.5 19.6 5.6 0.8 2.9 0.2 2.8 10.5 0.6 0.3
MAZ
Mazzite
, -2
Zeolites
16:323-802,
1996
511
MEI
ZSM-18
COMPOSITION:
si34068
CRYSTAL
P63/m
DATA:
(NO.
a = 13.175 Q =
REFERENCE:
hkl
26
1
0
0
1 0 1 1 1 2 2 1 1 2 1 2 1 1 0 2 3 1 1 3 1 2 2 2 3 3 1 2 1 3
0 0 1 0 1 0 0 1 0 0 2 1 2 1 0 0 0 2 0 0 2 1 2 2 1 0 0 2 3 1
1 2 0 2 1 0 1 2 3 2 0 0 1 3 4 3 0 2 4 2 3 3 0 1 1 3 5 2 2 2
512
d
7.75 9.55 11.17 13.44 13.60 14.56 15.53 16.51 17.51 18.51 19.17 20.59 20.59 21.35 21.56 22.44 22.94 23.39 23.49 23.77 25.99 26.68 26.68 27.07 27.66 28.77 28.93 29.24 29.37 30.41 30.41
Zeolites
11.410 9.260 7.924 6.588 6.508 6.083 5.705 5.368 5.066 4.794 4.630 4.312 4.312 4.161 4.121 3.962 3.876 3.803 3.788 3.743 3.429 3.341 3.341 3.294 3.225 3.103 3.087 3.054 3.041 2.939 2.939
16:323-802,
SiOv framework
176)
b = 13.175
A
p =
90”
A
90”
c =
15.848
Y =
120”
w
S. L. Lawton and W. J. R.ohrbaugh, Science 247, 1319-1322. (1990).
M
I rel
h
k
6 12 2 6 12 12 6 12 12 12 12 6 6 12 12 2 12 6 12 12 12 12 12 6 12 12 12 12 12 12 12
100.0 5.2 17.1 4.5 1.7 8.0 0.3 2.1 5.9 2.6 1.6 0.5 2.8 7.4 6.8 1.5 1.2 0.1 4.7 0.4 0.7 3.5 0.2 2.4 2.5 2.1 0.3 2.1 1.2 0.2 0.9
1 1 4 2 2 3 1 3 4 2 2 3 1 2 2 4 1 4 2 3 3 1 4 3 2 1 4 2 3 2 1
2 1 0 2 0 0 3 1 0 3 3 2 2 1 2 0 4 1 3 2 1 4 1 0 0 4 1 3 2 2 2
1996
1 4 5 0 3 5 4 3 3 2 0 1 1 5 5 4 3 0 0 2 2 4 1 1 5 6 2 2 3 3 5 6
28
d
M
Ire,
hkl
30.64 31.32 31.36 32.02 32.31 32.64 32.99 32.99 33.38 34.26 34.73 34.73 35.14 35.14 35.44 35.77 36.07 36.07 36.14 36.14 36.33 36.53 36.53 36.92 37.52 37.88 37.88 38.38 38.38 39.45 40.03
2.918 2.856 2.852 2.795 2.771 2.744 2.715 2.715 2.684 2.618 2.583 2.583 2.554 2.554 2.533 2.510 2.490 2.490 2.485 2.485 2.473 2.460 2.460 2.435 2.397 2.375 2.375 2.346 2.346 2.284 2.252
12 12 6 12 12 12 12 12 12 6 12 12 12 12 12 12 6 6 12 12 12 12 12 12 12 12 12 12 12 12 12
1.6 1.9 0.7 0.8 0.6 0.8 0.6 0.1 0.7 0.3 0.3 0.3 0.3 0.6 0.3 0.1 1.2 0.2 0.3 0.5 0.2 0.1 0.1 0.3 0.1 0.2 0.3 0.5 0.3 0.1 0.4
1 2 3 3 2 4 1 4 4 3 5 2 1 5 1 3 1 2 5 1 6 1 2 4 2 4 2 3 4
4 3 2 0 4 2 1 2 0 3 0 2 5 1 3 3 2 4 1 4 0 1 4 2 0 3 3 2 3
3 4 4 6 0 0 7 1 5 2 3 6 0 0 6 3 7 3 2 5 0 8 4 4 8 1 6 6 2
28
d
40.03 41.34 41.34 41.63 41.90 41.90 42.21 42.30 42.64 42.73 43.18 43.94 44.19 44.19 44.69 44.69 45.23 45.43 45.73 46.37 47.83 47.95 48.04 48.04 48.65 48.89 48.99 48.99 49.96
2.252 2.184 2.184 2.170 2.156 2.156 2.141 2.137 2.120 2.116 2.095 2.061 2.049 2.049 2.028 2.028 2.005 1.996 1.984 1.958 1.902 1.897 1.894 1.894 1.871 1.863 1.859 1.859 1.825
M Ire1 12 12 12 12 6 6 12 12 12 12 12 12 6 6 12 12 12 12 12 12 6 12 12 12 12 12 12 12 12
0.3 0.1 0.1 0.1 0.4 0.3 0.5 0.3 0.2 0.2 0.2 0.3 0.2 0.3 0.3 0.4 0.2 0.1 0.1 0.1 0.7 0.6 0.1 0.3 0.4 0.4 0.3 0.1 0.1
ZSM-18
50,
framework
Zeolites
l&323-802,
1996
513
MEL
Calcined
COMPOSITION:
SxAh2
CRYSTAL
I4m2 (No. 1191 n = ad.067 il ’ b = 20.067 A Q: = 90” /!3 = 90”
DATA:
REFERENCE
h lc 1 1 1 0 1 2 2 2 0 112 3 2 3 4 3 3 4 4 1 4 213 510 3 4 5 4 3 5 4 3 5 5 0 6 114 6 2 5
514
0 0 1 2 0 01 0 2 0 3 1 1 2 0 0
1 0 1 0 2
2
1 0 0 2 1 0 3 2
3 31 01 2 0 21 4 2 3 1 0 0
2
1 0 3
1 4 2
2 3 0 3 0 2 4 0
28 6.23 7.93 8.81 11.87 12.48 13.20 14.61 14.80 15.90 17.25 17.68 18.76 19.26 19.40 19.79 20.35 22.13 22.22 22.59 23.01 23.13 23.13 23.86 23.94 24.80 25.10 25.56 25.89 26.26 26.59 26.65 27.33 27.85 28.06 29.17
Zeolites
ZSM-11
d 14.190 11.150 10.034 7.458 7.095 6.705 6.063 5.986 5.575 5.140 5.017 4.730 4.609 4.575 4.487 4.363 4.017 4.001 3.935 3.865 3.845 3.845 3.729 3.717 3.590 3.547 3.485 3.442 3.394 3.353 3.345 3.263 3.203 3.180 3.062
16:323-802,
c = 13.411 A y = 90”
C. A. Fyfe, H. Gies, G. T. Kokotailo, C. Pa&or, J. Am. Chem. Sot. 111. 2470.-2474 (1989).
M
I I?21
4 8 4 16 4 2 8 8 8 16 4 4 16 16 8 8 8 16 8 8 16 8 16 8 16 4 16 8 16 2 4 8 16 8 16
2.4 100.0 53.6 3.9 0.4 9.2 0.7 15.5 8.0 3.6 7.1 1.6 3.7 0.3 0.2 3.2 0.2 0.6 1.2 1.2 0.3 52.5 0.1 22.7 5.1 0.5 2.6 0.1 2.1 2.4 2.7 0.5 0.4 2.0 7.6
1996
h k
1
5 4 5 3 6 6 5 5 7 7 4 3 10 6 7 5 7 2 5 5 6 8 3 6 7 8 8 3 7 5 6 7 8 8 0
1 3 3 4 1 2 3 0 0
4 3 0 1 3 2 2 5 1 01 0 3 1 3 5 1 15 4 1 5 0 0 3 3 1 2 2 0 3 0 5 3 2 0
4 4 5 3 0 2 2 3 4 1 0 5 3 2 1 0 5 3 4 4 0 1 2 6
28
d
hl
I,-e]
29.26 29.92 29.92 30.15 30.62 31.18 31.25 31.52 31.52 31.92 32.11 32.74 33.71 33.77 34.02 34.31 34.31 34.91 34.96 35.16 35.58 35.80 36.08 36.13 36.64 36.72 36.94 37.21 37.26 37.45 38.00 38.59 38.93 39.39 40.35
3.052 2.986 2.986 2.964 2.920 2.868 2.862 2.838 2.838 2.803 2.787 2.735 2.659 2.654 2.635 2.613 2.613 2.570 2.566 2.552 2.523 2.508 2.489 2.486 2.452 2.447 2.433 2.416 2.413 2.401 2.368 2.333 2.314 2.287 2.235
16 16 8 16 16 16 16 4 8 8 8 8 8 16 8 8 16 16 IA 16 16 4 8 16 16 16 8 16 8 16 8 8 16 16 2
0.4 0.3 9.6 0.7 0.2 0.1 2.2 0.6 0.1 0.2 0.4 0.2 0.5 0.2 0.4 2.3 0.3 0.1 0.3 1.4 0.4 1.4 1.6 0.6 0.5 0.3 0.4 0.2 1.3 1.9 0.2 0.2 0.8 0.2 0.2
h k 5 6 7 9 2 5 5 8 3 8 6 8 7 4 3 9 8 8 10 10 8 10 7 10 8 7 10 10 5 8 8 3 8
0 5 5 0 0 2 5 4 16 5 1 3 3 0 3 4 0 6 0 1 2 2 0 0 5 5 3 2 3 7 4 0 1
H. Strobl and D. E. Cox,
1 5 3 2 1 6 5 4 2 1 5 3 4 6 6 1 4 0 0 1 4 0 5 2 3 4 1 2 6 1 4 7 5
20
d
M
IreI
40.45 40.49 40.96 41.03 41.38 41.48 41.70 42.49 42.90 43.06 33.48 43.53 43.69 44.37 14.85 15.00 15.14 45.18 45.18 -15.95 46.09 46.13 46.36 47.28 47.33 47.48 47.80 48.19 48.57 48.71 48.84 49.49 49.99
2.230 2.228 2.203 2.200 2.182 2.177 2.166 2.128 2.108 2.101 2.081 2.079 2.072 2.042 2.021 2.01-I 2.008 2.007 2.007 1.975 1.969 1.968 1.959 1.923 1.921 1.915 1.903 1.888 1.874 1.869 1.865 1.842 1.825
8 16 16 8 8 16 8 16 16 16 16 16 16 8 8 16 8 8 4 16 16 8 8 8 16 16 16 16 16 16 16 8 16
0.1 0.3 1.0 0.4 0.3 0.2 0.2 0.2 0.4 0.2 0.1 1.3 0.3 0.1 0.4 0.2 3.6 0.2 4.7 0.4 0.9 0.4 0.2 0.3 1.2 0.2 0.2 0.2 2.4 0.5 0.3 0.7 0.2
Calcined
MEL
ZSM-11
Zeolites
16:323-802.
1996
515
MEP
Melanophlogite
COMPOSITION:
(Si46092).(CH4, Mt. Hamilton,
CRYSTAL
Pm% (No. 223) a = 13.436 A b = 13.436 A
DATA:
N2)2.(C02, Nz)s California, U.S.A.
CY= 90” REFERENCE:
h
k
1
28
110 9.31 2 0 0 13.18 2 1 0 14.74 2 1 1 16.16 3 1 0 20.91 2 2 2 22.93 3 2 0 23.88 3 2 1 24.79 4 0 0 26.54 4 1 0 27.37 3 3 0 28.18 4 1 1 28.18 4 2 0 29.74 4 2 1 30.49 3 3 2 31.22
516
Zeolites
p = 90”
H. Gies, Z. Kristallogr.
164, 247-257 (1983).
d
A4
Ire,
h
k
1
9.501 6.718 6.009 5.485 4.249 3.879 3.726 3.591 3.359 3.259 3.167 3.167 3.004 2.932 2.865
12 6 24 24 24 8 24 48 6 24 12 24 24 48 24
9.3 15.2 100.0 75.2 2.7 34.7 21.4 88.1 2.2 24.2 15.3 1.0 0.5 12.7 4.6
4 4 5 4 5 5 4 4 5 5 4 6 6 5 6
2 3 1 3 2 2 4 3 3 3 4 0 1 3 1
2 32.65 0 33.34 0 34.02 2 36.00 0 36.00 1 36.63 0 37.88 3 39.09 0 39.09 1 39.69 2 40.27 0 40.27 0 40.85 2 41.43 1 41.43
16:323-602,
1996
c = 13.436 A y = 90”
28
d
M
Ire,
hkl
2.743 2.687 2.635 2.495 2.495 2.453 2.375 2.304 2.304 2.271 2.239 2.239 2.209 2.180 2.180
24 24 24 48 24 48 12 24 24 48 24 6 24 48 24
2.0 2.3 1.1 9.6 0.2 0.2 1.5 3.1 7.6 2.2 1.0 3.7 1.0 4.3 0.2
5 5 5 6 6 4 6 5 7 6 7 5 6 7
4 4 4 3 3 4 3 5 1 4 2 5 3 2
0 1 2 0 1 4 2 0 0 1 0 2 3 1
28
d
43.11 43.66 45.27 45.27 45.80 46.85 47.36 47.87 47.87 49.38 49.38 49.87 49.87 49.87
2.098 2.073 2.003 2.003 1.981 1.939 1.919 1.900 1.900 1.846 1.846 1.828 1.828 1.828
M
Ire1
24 48 48 24 48 8 48 12 24 48 24 24 24 48
0.3 3.7 2.2 0.3 2.8 2.9 1.0 1.9 0.2 0.3 0.8 0.1 2.3 0.3
MEP
Melanophlogite
-3
Zeolites
16:323-802,
1996
517
MER
Merlinoite
COMPOSITION:
(N~.~~K~.~~Ca~,~~B~.~~)(Si~~.~~Al~.~~0~~)~22.74H~O Cupaello! Italy.
CRYSTAL
Immm (No. 71) a = 14.1‘16 A ‘b = 14.229 A
DATA:
a = 90”
E. Galli, G. Gottardi Neues Jahrb. Miner.
REFERENCE:
h
k
1
28
1 0 1 0 2 121 2 2 0 1 3 112 0 3 0 2 2 3 0 2 4 3 3 1 4 0 1 2 4 1 2 0 4 1 3 5 0 3
1 1 0 2 0
0 1 1 0 0
11 2 0 3 1
0 2 0 0
8.82 10.85 10.88 12.44 12.54 16.56 16.61 17.70 17.84 19.75 19.87 19.93 20.75 20.88 21.80 21.86 24.32 24.38 25.03 25.23 25.24 26.69 26.83 27.37 27.54 27.63 27.64 28.09 28.23 30.41 30.44 30.91 31.07 32.08 32.28 32.33 32.73 32.82
518
3 0 2 0 3 2 4 2 0 3 1 4 11 1 0 4 2 2 13 4 0 5 3 10 5 4
1 1 2 2 1 1 0 2 0 0 2 1 3 3 0 0 3 2 2 0 2 1 1
Zeolites
d 10.021 8.152 8.130 7.115 7.058 5.354 5.336 5.011 4.973 4.496 4.467 4.455 4.281 4.253 4.076 4.065 3.660 3.651 3.557 3.530 3.529 3.340 3.323 3.259 3.239 3.229 3.227 3.177 3.161 2.939 2.936 2.893 2.878 2.790 2.773 2.769 2.736 2.729
16:323-802,
and D. Pongiluppi, Mona&h. 1, l-9 (1979).
AZ
I El
h
I;
1
28
d
4 4 4 2 2 8 8 4 2 4 4 8 4 4 4 4 8 8 2 8 2 4 8 8 8 4 4 4 4 8 8 4 4 4 8 4 4 8
12.4 26.1 10.7 88.3 73.5 80.9 61.2 44.3 46.8 1.4 34.5 0.2 41.2 1.1 12.4 21.7 10.5 32.4 1.6 0.9 6.1 1.5 0.6 67.2 33.6 48.4 57.7 100.0 76.4 63.1 75.5 0.5 0.2 0.1 3.6 19.8 8.4 38.2
4 0 5 3 2 4 2 5 2 3 4 0 3 1 5 5 1 1 4 0 6 0 2 1 4 2 3 5 1 3 4 0 3 4 5 0 6 3
3 3 0 0 4 2 5 2 3 2 4 0 5 5 3 1 1 4 1 6 0 2 0 6 4 2 5 3 3 1 5 5 4 3 0 6 0 6
1 3 1 3 2 2 I 1 3 3 0 4 0 2 0 2 4 3 3 0 0 4 4 1 2 4 2 2 4 4 1 3 3 3 3 2 2 1
32.89 32.96 32.98 33.05 33.47 33.59 35.18 35.38 35.40 35.44 35.84 36.12 36.91 36.95 37.06 37.16 37.26 37.63 37.76 37.94 38.25 38.35 38.38 39.58 40.31 40.50 41.28 41.41 41.50 41.56 41.77 41.83 41.91 41.96 42.03 42.22 42.51 43.70
2.723 2.717 2.716 2.710 2.677 2.668 2.551 2.537 2.536 2.533 2.505 2.486 2.435 2.433 2.426 2.419 2.413 2.390 2.382 2.371 2.353 2.347 2.345 2.277 2.237 2.227 2.187 2.180 2.176 2.173 2.162 2.159 2.156 2.153 2.150 2.141 2.127 2.071
1996
c = 9.946 ii y = 90”
p = 90”
AJ
IreI
h
k
1
28
d
8 4 4 4 8 8 8 8 8 8 4 2 4 8 4 8 8 8 8 2 2 4 4 8 8 8 8 8 8 8 8 3 8 8 4 4 4 8
6.5 26.1 32.3 4.7 5.3 16.4 27.4 12.1 0.3 14.8 8.2 2.9 0.7 10.2 4.9 1.0 1.3 10.4 2.5 0.2 1.8 1.0 0.2 2.2 0.6 0.1 0.2 12.9 4.2 2.5 0.6 0.3 4.8 0.5 1.5 1.8 0.2 0.7
2 6 5 2 0 6 4 1 5 7 3 0 7 0 1 4 6 2 4 2 1 7 6 1 2 3 17 5 1 7 5 4 5 0 3 4 6
5 3 2 6 4 2 0 7 5 1 3 7 0 1 0 6 4 4 2 7 6 2 1 2 1 7
3 1 3 2 4 2 4 0 0 0 4 1 1 5 5 0 0 4 4 1 3 1 3 5 5 0 2 2 4 2 4 3 3 5 5 2 2
43.84 43.91 44.01 44.21 44.45 44.46 44.58 45.06 45.24 45.42 45.47 45.55 It? 45.!12 36.07 46.08 46.11 46.26 36.37 46.46 47.43 47.58 47.76 47.84 47.92 47.94 48.80 48.83 49.00 49.08 49.17 49.25 49.48 49.55 49.70 49.76 49.82 49.96
2.065 2.062 2.058 2.048 2.038 2.038 2.033 2.012 2.004 1.997 1.995 1.992 1.976 1.970 1.970 1.968 1.962 1.958 1.954 1.917 1.911 1.904 1.901 1.898 1.898 1.866 1.865 1.859 1.856 1.853 1.850 1.842 1.840 1.834 1.832 1.830 1.825
5 5 1 1 5 4 3 0 6 4
AJ IreI 8 8 8 8 4 8 3 4 4 3 8 4 4 4 4 4 4 8 8 8 8 8 8 8 8 4 8 8 8 8 8 8 8 4 4 8 8
1.8 4.4 1.1 2.7 0.7 1.3 0.9 0.6 6.6 2.8 0.3 0.2 7.1 4.2 0.9 0.3 1.5 4.2 0.9 1.7 2.9 0.1 0.6 1.6 2.4 0.3 1.9 0.7 4.2 3.2 1.2 7.7 0.4 3.0 0.1 0.7 1.0
MER
Merlinoite
Zeolites
16:323-802,
1996
519
MER
Barium
COMPOSITION:
(Baa(H20)12)(BaC12)4(Si21.33A110.67064)
CRYSTAL
I4/mmm (No. a = 14.194 A a = 90”
DATA:
REFERENCE:
hkl 1 1 0 1 2 2 2 0 3 3 1 2 3 4 2 3 4 3 4 1 4 5 2
520
0 0 1 2 0 1 0 1 0 2 0 2 3 1 1 2 0 0 1 1
1 0 1 0 2 0 1 2 2 1 0 2 0 1 2 0 3 2 0 3
chloroaluminosilicate
28 8.81 11.43 12.47 16.95 17.67 19.22 19.78 21.10 21.18 22.98 24.58 25.09 26.23 26.64 27.65 27.72 28.11 29.70 31.80 32.15 32.32
Zeolites
d 10.037 7.740 7.097 5.231 5.018 4.617 4.489 4.211 4.195 3.870 3.621 3.548 3.398 3.346 3.226 3.218 3.174 3.008 2.814 2.784 2.770
16:323-602,
139) b = 14.194 A p = 90”
c = 9.234 A y = 90”
L. P. Solov’eva, S. V. Borisov and V. V. Bakakin, Sov. Phys. - Crystallogr. 16, 1035-1038 (1972).
M
Ire1
4
8 4 16 4 2 8 8 8 8 16 4 8 4 16 16 8 8 8 8 16
0.6 25.9 0.8 1.5 25.8 0.3 55.4 100.0 36.2 0.4 0.2 5.3 39.3 36.3 35.5 1.8 29.6 21.0 3.9 10.9 79.3
1996
hkl 4 5 3 4 3 5 4 5 3 5 6 0 4 6 1 6 4 2 5 5 6
20 3 0 3 2 0 2 4 3 2 1 0 0 1 1 1 2 4 0 4 3 0
1 1 2 2 3 1 0 0 3 2 0 4 3 1 4 0 2 4 1 2 2
33.01 33.01 33.07 34.28 34.77 35.42 35.79 36.93 37.07 37.73 38.04 39.02 39.26 39.85 40.08 40.18 40.93 41.12 41.91 41.96 42.96
d 2.714 2.714 2.709 2.616 2.580 2.535 2.509 2.434 2.425 2.384 2.366 2.308 2.295 2.262 2.250 2.244 2.205 2.195 2.155 2.153 2.105
M
IreI
h
k
I
28
16 8 8 16 8 16 4 8 16 16 4 2 16 16 8 8 8 8 16 16 8
36.4 7.7 23.3 44.2 1.2 37.0 0.4 3.8 0.2 33.6 8.3 6.3 4.1 3.3 1.4 1.4 1.2 3.9 1.0 0.3 3.8
2 4 5 6 3 6 7 5 7 6 4 7 3 4 7 6 5 7 1
2 3 0 3 1 2 1 2 0 4 0 2 3 2 3 1 5 1 0
4 3 3 1 4 2 0 3 1 0 4 1 4 4 0 3 2 2 5
43.13 43.36 43.36 43.90 44.11 44.91 45.17 45.29 45.81 46.11 46.95 47.67 47.87 48.78 48.87 48.98 49.51 49.51 49.79
d 2.097 2.087 2.087 2.062 2.053 2.018 2.007 2.002 1.981 1.968 1.935 1.908 1.900 1.867 1.864 1.860 1.841 1.841 1.831
A4
Ire,
8 16 8 16 16 16 8 16 8 8 8 16 8 16 8 16 8 16 8
2.1 4.1 3.3 23.4 4.4 0.2 1.7 6.3 1.4 1.6 1.2 0.3 3.9 2.9 0.8 1.3 3.8 0.2 1.0
Barium
MER
chloroaluminosilicate
-z
-0
P
-0
Zeolites
16:323-602,
1996
521
MFI
Tetrapropylammonium
COMPOSITION:
(Si95.7Alo.30192).4(C3H7)4NOH
CRYSTAL
Pnm,u iNo. 621 a = 20.b22 A ' b = 19.899 A
DATA:
0 = 90” REFERENCE:
h
k
1
26'
1 0 2 0 1 2 2 2 1 2 0 1 2 1 3 0 3 1 2 0 2 2 1 3 2 4 0 4 3 1 4 1 4 2 3 1 0 2 1 4 2 4 4 0 2
0 1 0 2 1 1 01 1 2 2 0 0 2 1 0 31 1 3 0 2 3 1 2 2 3 0 4 1 1 3 1 4 2 4 3 0 1 3 1 2 0 0 3 4 1
1 1 0 0 1 0
7.95 7.96 8.83 8.89 9.11 9.89 11.04 11.90 11.93 12.54 13.23 13.95 14.19 14.65 14.83 14.91 15.49 15.55 15.93 15.96 16.03 16.55 16.57 17.32 17.35 17.72 17.83 18.28 19.31 19.36 19.45 19.55 19.86 19.93 20.00 20.40 20.40 20.84 20.88 20.95 21.81 22.18 22.25 22.27 22.27
522
1 1 0 2 2 1 2 1 1 1 2 2 0 2 2 1 1 0 0 0 2 2 1 1 0 0 1 3 3 2 3 1 3 2 0 2 3
Zeolites
ZSM-5
d 11.126 11.105 10.011 9.950 9.711 8.943 8.016 7.436 7.417 7.057 6.692 6.346 6.242 6.046 5.972 5.943 5.720 5.697 5.563 5.553 5.529 5.358 5.351 5.121 5.110 5.006 4.975 4.854 4.598 4.586 4.563 4.541 4.471 4.455 4.438 4.354 4.353 4.262 4.254 4.241 4.075 4.008 3.995 3.992 3.992
16:323-802,
p = 90”
c = 13.383 8, y = 90”
H. van Koningsveld, H. van Bekkum Acta Cryst. B43) 127-132 (1987).
and J. C. Jansen,
M
I rel
h
k
1
20
d
nr
I rel
h
k
1
28
d
I rel
4 4 2 2 8 4 4 8 8 4 2 4 8 8 4 4 8 8 4 4 4 8 8 8 8 2 2 4 8 8 8 8 4 4 8 4 4 8 8 8 4 4 4 4 8
68.4 50.3 31.3 36.8 25.4 4.7 1.0 2.8 10.4 5.4 6.8 17.4 0.4 8.6 10.9 4.1 0.8 10.0 6.2 5.6 3.5 1.8 1.5 3.5 0.5 2.6 5.6 0.5 8.4 2.1 0.8 0.3 0.5 0.5 2.6 4.7 7.1 3.2 3.9 8.9 3.0 0.2 5.6 0.7 0.2
1 4 1 3 5 4 0 2 1 3 0 2 13 5 3 2 5 4 4 5 1 0 6 4 5 0 3 1 6 1 1 5 6 3 2 6 1 2 0 6 4 2 1 4 6
2 1 4 3 01 3 5 2 5 0 3 5
3 2 2 2
22.29 22.63 22.71 23.11 23.18 23.23 23.32 23.59 23.74 23.99 24.04 24.06 24.45 24.87 25.63 25.66 25.93 25.97 26.12 26.32 26.43 26.64 26.71 26.77 26.85 26.88 26.92 27.02 27.09 27.22 27.40 27.46 27.55 27.55 27.56 27.92 28.07 28.12 28.14 28.21 28.26 28.35 28.50 28.66 29.00
3.989 3.929
8 8 8
5 3 5 4 3 6 5 3 0 0 3 13 6 1 1 3 3 2 5 2 4 4 0 0 7 4 6 5 6 1 0 1 7 1 7 5 2 7 5 4 6 4 5 7 1
3 5 41 5 0 3 0 4 6 5 1
2 2
3.915 3.849 3.836 3.828 3.815 3.771 3.747 3.709 3.702 3.698 3.640 3.579 3.475 3.472 3.436 3.431 3.412 3.386 3.372 3.346 3.337 3.330 3.321 3.317 3.312 3.300 3.291 3.276 3.255 3.248 3.238 3.237 3.237 3.196 3.178 3.173 3.171 3.164 3.158 3.148 3.132 3.115 3.079
1.8 0.7 0.5 4.0 100.0 0.8 78.7 0.1 31.0 47.7 4.0 1.8 39.7 1.2 3.0 0.6 0.3 13.6 0.2 1.3 1.6 1.2 2.7 5.9 0.4 2.9 0.5 9.6 0.5 0.2 0.7 0.1 0.7 1.6 2.1 0.2 0.7 1.3 0.1 0.1 0.7 0.3 2.4 0.9 0.4
29.27 29.34 29.40 29.44 29.87 29.97 29.99 30.05 30.07 30.09 30.22 30.25 30.26 30.41 30.43 30.84 31.23 31.25 31.33 31.42 31.68 32.18 32.19 32.24 32.32 32.35 32.89 32.95 33.54 33.78 33.79 33.98 34.09 34.09 34.39 34.48 34.69 34.81 34.95 34.98 35.09 35.14 35.24 35.30 35.33
3.051 3.044 3.038 3.034 2.991 2.981 2.980 2.973 2.972 2.970 2.958 2.954 2.953 2.939 2.938 2.900 2.864 2.862 2.855 2.847 2.824 2.782 2.781 2.776 2.770 2.767 2.723 2.718 2.672 2.653 2.653 2.638 2.630 2.630 2.607 2.601 2.586 2.577 2.568 2.565 2.557 2.554 2.546 2.543 2.540
0.1 11.9 0.8 0.6 0.4 1.2 7.4 1.1 0.2 9.1 0.9 0.1 0.4 0.3 7.3 0.3 0.2 0.3 1.8 0.4 0.3 0.5 0.4 0.6 0.1 0.3 4.5 0.1 1.1 0.5 0.4 0.1 0.2 0.2 0.1 6.4 0.9 1.8 0.3 1.7 1.0 0.3 1.4 0.1 1.0
1996
2 2 3 0 3 4 12 5 0 0 0 3 6 5 0 1 4 1 2 01 3 5 1 6 0 2 2 2 6 2 5 2
1 1 3 1 3 3 0 3 1 3 3 2 2 1 2 4 0 3 1 0 1 4 0 3 4 2 3 2 1 1 4 4 0 3 0 4 0 1
8 8 8 4 4 4 8 '8 8 8 4
8
8
1 6 5 6 2 3 2 5 5 0 7 4 1 4 3 3 0 0 1 6 0 1 1 5 0 3 0 3 5 5 1 2 5
1 4 0 3 3 2 3 4 4 2 2 3 1 4 4 3 3 2 4 1 4 1 3 2 3 3 5 5 3 2 5 2 2 5 1 4 4 0 3 4 2 4
8 4 4 8 8 8 8 8 8 8 8 8 8 8 4
4 8 8 8 8 4 8 4 8 4 8 8 8 8
Tetrapropylammonium
ZSM-5
Zeolites
16:323-802,
1996
523
MFI
Calcined
CRYSTAL
DATA:
P121/n 1 (No. a = 19.879 A a = 90”
REFERENCE:
h -1
k 0
1 1
0 1 0 2 -1 1 1 0 -2 2 2 0 0 -1 1 0 -3 3 -3 3 -2 0 3 2 -2 -1 1 2 -2 2 0 4 1 0 0 -1 1 -1 -4 4 2 -3 3 -1
1 0 2 0 1 1 2 2 1 1 2 0 1 1 1 3 0 0 1 1 0 2 2 0 1 2 2 1 3 3 4 0 4 3 4 3 3 4 1 1 4 3 3 0
1 1 0 0 1 1 0 1 1 1 0 2 2 2 2 1 1 1 1 1 2 2 0 2 2 2 2 2 1 1 0 0 0 2 1 2 2 1 1 1 0 1 1 3
524
20 7.93 7.94 8.01 8.80 8.90 9.07 9.14 9.86 11.01 11.88 11.99 12.52 13.25 13.96 14.61 14.71 14.79 14.85 14.99 15.50 15.63 15.89 15.92 16.02 16.07 16.50 16.50 16.58 16.66 17.24 17.32 17.64 17.85 18.20 18.75 18.86 19.24 19.31 19.37 19.49 19.63 19.79 19.93 20.03 20.37
Zeolites
d 11.153 11.132 11.033 10.053 9.939 9.753 9.673 8.971 8.035 7.450 7.378 7.068 6.684 6.343 6.062 6.023 5.991 5.965 5.909 5.718 5.670 5.577 5.566 5.532 5.517 5.374 5.374 5.346 5.320 5.143 5.119 5.027 4.969 4.873 4.733 4.705 4.613 4.595 4.583 4.554 4.522 4.486 4.456 4.432 4.359
16:323-802.
ZSM-5
14) unique axis b, cell choice 2 b = 20.107 A c = 13.369 A y = 90” /3 = 90.67”
H. van Koningsveld, J. C. Jansen and H. van Bekkum, Zeolites 10. 235--242 (1990).
M
I rel
h
k
1
20
2 4 2 2 2 4 4 4 4 4 4 4 2 4 4 4 4 2 2 4 4 2 4 4 2 4 4 4 4 4 4 2 2 4 4 4 4 4 4 4 4 4 4 4 2
37.1 100.0 31.9 47.8 51.6 13.9 14.1 1.4 1.2 1.1 0.6 0.5 7.3 11.0 0.7 0.2 13.7 2.7 4.9 5.0 5.0 2.0 6.1 1.3 1.4 1.5 0.3 0.3 2.0 0.6 1.1 3.6 5.4 0.7 0.2 0.6 2.2 1.5 0.2 0.1 0.2 0.3 0.2 0.2 2.2
0 1 -2 -3 -1 -2 2 2 3 1 0 3 -2 -1 2 -1 -4 1 -3 0 3 -5 -5 -3 0 3 -3 3 -2 2 -2 -3 2 3 -3 3 -1 1 -5 0 0 1 0 -1 -3
1 0 3 2 1 4 3 4 2 1 2 4 1 2 1 4 1 4 3 5 3 0 1 0 3 0 1 1 5 5 3 2 3 2 4 4 5 5 1 6 0 6 1 1 3
3 3 2 2 3 1 2 1 2 3 3 0 3 3 3 2 2 2 2 1 2 1 1 3 3 3 3 3 1 1 3 3 3 3 2 2 2 2 2 0 4 0 4 4 3
20.41 20.48 20.72 20.74 20.85 20.85 20.85 20.92 20.94 20.95 21.82 22.20 22.21 22.23 22.40 22.55 22.61 22.61 23.00 23.10 23.19 23.27 23.69 23.93 23.98 24.20 24.35 24.61 24.77 24.82 25.54 25.54 25.71 25.79 25.85 26.02 26.22 26.27 26.32 26.60 26.67 26.98 27.05 27.37 27.43
1996
d
M
I rel
h
k
4.350 4.337 4.287 4.282 4.260 4.259 4.259 4.246 4.242 4.240 4.074 4.005 4.002 3.999 3.969 3.943 3.933 3.932 3.866 3.851 3.836 3.823 3.756 3.718 3.711 3.678 3.656 3.618 3.595 3.587 3.487 3.487 3.465 3.454 3.446 3.425 3.399 3.392 3.386 3.351 3.342 3.305 3.297 3.258 3.251
4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 2 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 2 2 4 4 4 4
1.9 1.3 0.3 0.8 0.1 2.6 0.3 3.4 0.7 0.3 2.1 2.8 0.3 0.2 0.3 0.1 0.1 0.3 0.3 44.7 1.0 16.1 8.1 1.4 23.0 2.1 7.6 8.2 1.0 0.5 1.5 0.4 0.9 1.0 3.1 4.1 1.2 0.3 0.4 2.8 0.1 0.2 5.1 0.6 0.3
0 -5 2 1 3 1 0 2 -2 2 -2 -5 -4 -5 0 3 -4 0 -5 -3 -1 1 -5 -6 -6 -2 -5 2 2 3 -5 0 -4 -7 1 -1 4 -3 3 3 3 0 -1 0 0
6 2 5 1 3 6 2 0 1 1 6 3 5 4 3 6 3 5 0 1 3 6 1 1 3 5 2 3 5 2 4 7 0 0 7 4 0 6 6 3 5 6 0 1 7
1 1 2 2 4 3 1 4 4 4 4 1 2 1 1 4 0 3 3 3 4 4 2 3 2 1 3 3 4 3 4 2 1 4 1 1 4 4 2 2 4 3 3 5 5 2
28
d
lb!
IreI
27.44 27.44 27.45 27.47 27.67 27.82 28.14 28.27 28.42 28.62 28.87 29.22 29.29 29.35 29.87 29.88 29.91 29.93 29.94 30.14 30.17 30.19 30.28 30.30 30.77 31.21 31.27 31.32 31.35 31.41 31.55 31.86 32.10 32.15 32.20 32.44 32.46 32.74 32.87 32.99 33.00 33.46 33.77 33.82 33.97
3.251 3.250 3.250 3.246 3.224 3.206 3.171 3.157 3.140 3.118 3.092 3.057 3.049 3.043 2.991 2.990 2.987 2.985 2.984 2.965 2.962 2.960 2.952 2.950 2.906 2.865 2.861 2.856 2.853 2.848 2.836 2.808 2.788 2.784 2.780 2.760 2.758 2.735 2.724 2.715 2.714 2.678 2.654 2.650 2.639
4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 2 2 4 4 2 4 4 4 4 4 2 4 4
1.1 0.8 0.1 0.2 0.3 0.1 0.6 0.2 1.1 0.4 0.2 3.0 0.2 0.1 0.1 0.7 0.3 6.6 4.0 0.2 0.8 0.4 2.6 0.4 0.3 1.0 0.4 0.2 0.6 0.2 0.6 0.2 0.1 0.7 0.2 0.1 0.2 1.6 1.2 0.4 0.1 1.3 0.9 0.2 0.4
Calcined
ZSM-5
4
---l
Zeolites
16:323-802,
1996
525
MFS
ZSM-57
SiO, framework
COMPOSITION:
Si36072
CRYSTAL
Imm2 (No. 44)
DATA:
a = 7.4510 A cy = 90” REFERENCE:
h
k
28
d
M
I rel
7.82 9.42 12.49 12.78 13.43 15.48 15.67 16.43 17.91 18.52 18.91 19.38 22.28 22.40 22.73 23.27 23.60 23.88 24.24 24.53 25.14 25.17 25.73 26.59 26.90 27.04 28.30 28.54 28.59 28.69 29.39
11.309 9.383 7.086 6.925 6.595 5.723 e5.655 5.396 4.953 4.791 4.692 4.581 3.989 3.969 3.912 3.823 3.770 3.725 3.672 3.628 3.543 3.538 3.463 3.352 3.314 3.297 3.154 3.128 3.122 3.111 3.039
4 2 2 4 4 4 4 8 8 4 2 4 4 8 4 8 4 2 8 4 2 8 4 4 4 4 8 2 8 8 8
100.0 57.8 18.3 36.9 0.8 8.6 11.8 16.4 1.4 11.1 4.0 0.5 1.6 3.6 3.7 10.9 30.7 4.6 0.7 4.1 17.2 2.6 25.9 3.2 3.6 0.2 1.4 2.3 17.2 2.4 3.7
1
1
0 0 1 1 0 0 1 1 1 0 0 1 1 0 1 0 2 1 0 0 2 2 1 0 2 1 0 2 2 1
0 2 0 1 1 2 1 2 0 0 3 3 2 2 1 3 0 3 1 4 1 0 0 4 2 4 0 1 2 3
2 0 1 0 3 2 2 1 3 4 1 0 3 4 4 3 0 2 5 0 1 2 5 2 0 1 6 3 2 4
526
Zeolites
16:323-602,
1996
A c=
18.767 A y = 90”
p = 90”
J. L. Schlenker, J. B. Higgins Zeolites 10, 293-296 (1990).
1
0
b = 14.1711
h
k
1
20
d
125 0 2 0 1 0 1 0 2 1 2 0 2 1 1 2 3 1 2 1 0 0 3 2 1 0 2 0 2 1 0
3 : 2 4 4 1 5 3 5 1 5 4 5 0 4 0 3 0 2 0 4 2 3 5 6 2 5 5 6 2
5 * 6 3 4 6 1 3 0 5 3 0 2 7 2 1 6 6 7 8 6 1 5 4 2 6 5 1 1 8
29.48 30.42 30.94 31.26 31.40 31.65 31.66 31.93 33.83 33.84 34.50 34.75 34.95 35.20 35.59 36.28 36.49 36.50 37.55 37.86 38.37 38.39 38.71 39.04 39.05 39.34 39.72 39.86 40.27 40.35 40.51
3.030 2.939 2.890 2.861 2.849 2.827 2.826 2.802 2.650 2.649 2.599 2.582 2.567 2.549 2.523 2.476 2.462 2.462 2.395 2.377 2.346 2.345 2.326 2.307 2.307 2.290 2.269 2.262 2.240 2.235 2.227
and E. W. Valyocsik,
PI 8
Ire1 5.7
4 8 4 8 4 8 4 8 4 8 4 4 8 4 8 4 8 4 8 2 4 8 8 8 4 8 4 8 8 4
3.8 0.7 0.7 0.8 0.3 0.3 2.6 0.9 0.8 0.3 0.8 0.3 2.0 0.4 0.9 1.2 1.3 1.1 1.6 0.3 0.2 0.1 3.7 1.7 0.1 0.3 0.2 0.4 0.2 0.4
h k
1
3 3 3 3 2 3 0 1 1 1 1 3 2 2 0 1 2 3 2 1 1 3 0 1 0 4 4 3 4
0 3 4 2 3 .5 9 7 8 6 9 5 8 6 8 0 2 3 5 9 5 6 3 2 9 0 1 2 2
3 2 1 3 5 0 1 4 3 5 0 2 0 4 4 7 6 4 5 2 6 1 7 7 3 0 1 5 0
28
d
41.06 41.13 41.63 42.22 42.61 43.70 43.89 44.07 44.82 44.84 45.15 45.63 45.70 45.72 46.42 46.48 46.54 46.98 47.00 47.03 47.07 47.16 47.19 47.54 47.67 48.89 49.60 49.77 49.91
2.198 2.195 2.169 2.140 2.122 2.071 2.063 2.055 2.022 2.022 2.008 1.988 1.985 1.984 1.956 1.954 1.951 1.934 1.933 1.932 1.931 1.927 1.926 1.913 1.908 1.863 1.838 1.832 1.827
i%l
Kre,
4 8 8 8 8 4 4 8 8 8 4 8 4 8 4 4 8 8 8 8 8 8 4 8 4 2 8 8 4
0.2 0.1 1.5 0.5 0.5 0.4 0.2 0.6 0.2 1.4 0.2 2.1 1.5 1.6 1.8 0.3 0.2 0.3 0.2 1.1 0.2 1.1 5.4 0.4 2.1 3.7 0.5 0.3 0.3
ZSM-57
SiO, framework
Zeolites
16:323-802,
1996
527
Montesommaite
COMPOSITION:
CRYSTAL
(Nao.lKJ.s)(Si11.3A14.7032).5HzO Pollena, Mt. Somma-Vesuvius,
DATA:
141/a& (No. a = 7.141 A a = 90”
REFERENCE:
k
1
20
d
A4
Ire,
hkl
1 1 0 2 2 2 1 2
0 1 0 0 0 1 0 1
1 2 4 0 2 1 5 3
13.41 20.36 20.53 24.94 27.01 28.42 28.66 32.03
6.601 4.361 4.327 3.570 3.301 3.141 3.115 2.794
8 8 2 4 8 16 8 16
81.3 13.5 43.9 0.5 100.0 57.0 37.4 20.7
2 1 3 2 1 2 3 2
Zeolites
16:323-802.
141) origin at centre (2/m) b = 7.141 A c = 17.307 w p = 90” y = 90”
R. C. Rouse, P. J. Dunn, J. D. Grice, J. L. Schlenker Am. Mineral. 75, 1415-1420, (1990).
h
528
Italy.
1996
2 1 0 1 0 0 1 2
0 6 1 5 7 6 2 4
and J. B. Higgins,
20
d
hf
Ire1
h k
1
20
d
35.56 35.85 38.16 38.35 38.53 40.19 41.32 41.41
2.525 2.505 2.358 2.347 2.336 2.244 2.185 2.181
4 8 8 16 8 8 16 8
13.5 1.4 0.3 17.5 4.8 2.3 1.2 11.1
0 3 3 2 3 1 2
8 4 5 7 3 9 8
41.75 45.30 46.29 46.45 48.60 49.06 49.25
2.163 2.002 1.961 1.955 1.873 1.857 1.850
0 1 0 1 2 0 0
A4 Ire, 2 16 8 16 16 8 8
8.8 4.3 0.1 0.2 3.8 3.7 0.3
MON
Montesommaite
Zeolites
16:323-602,
1996
529
MOR
Mordenite
COMPOSITION:
Nag(Si40A180gs).24HaO Challis, Idaho, 1J.S.A.
CRYSTAL
Cmcm (No. 63) u = 18.11 A b = 20.53 A /jj zz 90” Q = 90”
DATA:
V. Gramlich, PhD dissertation, And V. Gramlich,
REFERENCE:
h
k
1
1 0 2 2 1 1 0 3 0 2 1 3 4 3 2 0 4 1 3 2 0 4 1 5 1 0 2 0 3 2 1 5 5 2 3 0 4 3 0
1 2 0 2 1 3 2 1 4 2 3 1 0 3 4 4 2 5 3 4 0 2 1 1 5 2 0 6 5 2 3 1 3 6 1 6 4 5 4
0 0 0 0 1 0 1 0 0 1 1 I 0 0 0 1 0 0 1 1 2 1 2 0 1 2 2 0 0 2 2 1 0 0 2 1 1 1 2
530
28 6.51 8.61 9.77 13.04 13.45 13.83 14.59 15.30 17.28 17.59 18.19 19.34 19.61 19.61 19.88 20.95 21.45 22.20 22.92 23.16 23.64 24.53 24.54 24.96 25.19 25.20 25.63 26.04 26.25 27.09 27.49 27.67 27.87 27.87 28.28 28.66 28.85 28.85 29.43
Zeolites
d
hf
13.581 10.265 9.055 6.791 6.584 6.402 6.071 5.791 5.133 5.042 4.877 4.590 4.528 4.527 4.465 4.241 4.142 4.004 3.880 3.840 3.764 3.629 3.627 3.567 3.535 3.534 3.476 3.422 3.395 3.292 3.245 3.223 3.201 3.201 3.156 3.115 3.095 3.095 3.035
4 2 2 4 8 4 4 4 2 8 8 8 2 4 4 4 4 4 8 8 2 8 8 4 8 4 4 2 4 8 8 8 4 4 8 4 8 8 4
16:323-602,
1996
Jr el 100.0 13.1 56.4 0.3 40.4 29.1 13.3 9.5 0.6 2.3 4.4 3.2 1.4 22.7 0.6 1.4 5.7 46.1 1.0 16.9 6.9 4.5 0.3 2.3 0.3 4.3 75.7 5.0 43.5 4.7 12.6 46.1 28.8 0.1 4.0 2.7 3.3 0.5 0.2
hkl 5 2 6 4 3 2 1 5 6 1 3 5 7 0 5 4 3 2 1 6 5 2 0 7 0 7 6 2 1 7 6 5 8 0 4 8 7 2 6
ETH, Zurich, (1971). private communication.
20 3 6 2 0 3 4 5 5 2 7 7 1 1 8 5 4 5 8 1 4 3 6 2 1 8 3 0 2 3 3 2 7 0 4 8 2 5 4 6
c = 7.528 .fi y = 90”
1 30.34 1 30.34 0 30.88 2 30.89 2 30.89 2 31.08 2 32.65 0 32.98 1 33.15 1 33.15 0 33.98 2 34.65 0 34.95 0 34.96 1 35.12 2 35.61 2 35.61 0 36.39 3 36.41 1 36.54 2 36.86 2 36.86 3 36.87 1 37.00 1 37.01 0 37.15 2 38.22 3 38.24 3 38.53 1 39.10 2 39.25 0 39.54 0 39.82 3 39.99 0 40.40 0 40.82 0 41.24 3 41.27 1 41.67
d
hf
2.946 2.946 2.896 2.894 2.894 2.878 2.743 2.716 2.703 2.702 2.638 2.589 2.567 2.566 2.555 2.521 2.521 2.469 2.468 2.459 2.439 2.438 2.438 2.430 2.429 2.420 2.355 2.354 2.336 2.304 2.295 2.279 2.264 2.254 2.233 2.211 2.189 2.188 2.168
8 8 4 4 8 8 8 4 8 8 4 8 4 2 8 8 8 4 8 8 8 8 4 8 4 4 4 8 8 8 8 4 2 4 4 4 4 8 8
IId
0.3 5.5 2.0 12.9 8.8 0.2 3.2 0.6 2.8 6.6 1.6 0.6 0.2 5.4 0.5 0.6 15.5 1.3 1.2 5.3 1.2 1.8 0.2 0.4 0.5 0.1 0.1 0.4 0.7 0.2 0.4 1.1 0.1 0.1 2.2 0.4 0.3 2.2 1.4
hkl 3 4 6 3 0 2 0 3 5 7 0 4 9 8 5 2 6 5 9 2 9 5 4 6 1 7 0 7 4 5 1 1 3 4 5 2 8
7 2 4 9 8 8 10 9 1 3 6 4 1 4 3 6 8 7 11 10 3 9 8 2 7 5 0 7 10 9 1 11 9 6 5 0 6
2 3 2 0 2 2 0 1 3 2 3 3 0 1 3 3 0 2 1 0 0 2 3 3 2 4 1 0 1 4 0 2 3 3 4 1
20
d
41.81 42.10 42.22 42.36 42.64 43.85 44.11 -14.11 44.13 44.51 44.79 14.92 45.28 45.41 45.95 45.95 46.44 46.58 .16.95 36.96 -17.07 47.08 47.:3-l 47.97 47.98 48.08 48.36 48.45 48.70 48.70 48.85 49.07 49.08 49.33 49.45 49.46 49.79
2.160 2.146 2.140 2.134 2.120 2.065 2.053 2.053 2.052 2.036 2.024 2.018 2.003 1.997 1.975 1.975 1.955 1.950 1.935 1.935 1.930 1.930 1.920 1.896 1.896 1.892 1.882 1.879 1.870 1.870 1.864 1.857 1.856 1.847 1.843 1.843 1.831
*bf Ire1 8 8 8 4 4 8 2 8 8 8 4 8 4 8 8 8 4 8 8 8 4 4 8 8 8 8 2 8 4 8 8 4 8 8 8 4 8
1.8 0.5 0.2 0.3 0.5 0.5 5.3 0.8 0.6 3.3 0.3 3.9 0.5 2.9 0.8 0.7 7.5 0.6 1.8 0.2 0.9 0.2 5.2 0.6 1.1 0.7 9.4 0.5 0.1 2.5 1.2 0.5 0.5 0.4 0.1 0.3 0.1
Mordenite
Zeolites
16:323-802,
1996
531
MOR
Maricopaite
(Pb7Caz)(SissAllz(O, OH)l00).28H20
COMPOSITION:
Moon Anchor Mine, Tonopah, AZ, U.S.A. Interrupted MOR framework. CRYSTAL
DATA:
Cm2m (No. 38) cab setting a = 19.432 A b = 19.702 A a = 9o” p = 90”
REFERENCE:
h
k
0 1 0 2 2 0 2 1 101 2 2 111 0 3 2 3 0 4 3 01 4 0 311 410 2 4 4 2 141 0 5 4 3 0 0 0 12 2 5 0 2 2 0 2 12
532
R. C. Rouse and D. R. Peacor, Am. Mineral. 79, 175-184 (1994).
1
28
d
M
I rel
h
k
0 0 0
4.48 8.98 9.10 10.15 12.60 12.80 13.38 13.48 16.29 18.01 18.06 18.26 18.61 18.81 20.21 20.38 22.04 22.56 22.77 23.60 24.04 24.38 25.30 25.35 25.75
19.702 9.851 9.716 8.714 7.028 6.918 6.619 6.567 5.441 4.926 4.913 4.858 4.767 4.717 4.393 4.357 4.033 3.940 3.906 3.769 3.702 3.651 3.520 3.514 3.459
2 2 2 4 4 4 8 2 4 2 4 2 8 4 4 4 8 2 4 2 4 4 4 4 8
100.0 2.0 7.5 4.3 0.4 2.1 0.3 0.4 0.3 0.2 0.2 0.6 0.2 1.4 1.0 1.5 0.2 0.2 1.3 0.2 0.2 1.1 0.4 0.9 1.4
4 1 2 0 0 5 6 2 2 4 0 4 4 6 2 4 5 0 4 6 2 6 6 6 8
4 0 5 1 2 2 6 0 3 2 2 1 1 0 6 0 3 2 5 0 4 2 0 2 1 2 3 0 4 2 2 2 4 1 5 2 3 2 4 0 5 2 5 0 0 2 1 2 0 0
0
0 0 0 0 0 0 0 0 0 2 0 2 2
Zeolites
16:323-602,
1996
c = 7.538 w y = 90”
1
28
d
M
Ire,
h
k
1
20
d
M
Ire,
25.76 25.92 26.94 27.16 27.28 27.36 27.92 28.70 28.82 29.18 29.85 30.01 30.36 30.78 31.27 31.38 31.64 32.88 33.03 33.10 34.19 35.89 36.58 36.87 37.01
3.459 3.437 3.310 3.284 3.269 3.260 3.196 3.111 3.098 3.060 2.993 2.978 2.944 2.905 2.861 2.850 2.828 2.724 2.712 2.706 2.623 2.502 2.456 2.438 2.429
4 8 8 2 4 8 4 4 8 4 4 4 8 4 8 8 8 4 8 4 8 4 4 8 2
0.5 0.2 1.2 0.6 0.9 0.1 0.2 0.4 0.8 0.2 0.5 1.8 2.9 0.4 0.3 1.5 0.1 0.2 0.3 0.4 0.3 0.2 0.8 0.9 0.2
8 2 6 4 8 8 4 8 8 8 2 8 4 8 10 10 0 8 0 0 2 2 2
1 6 2 5 2 3 8 4 0 1 8 2 9 3 0 1 9 4 0 1 9 0 1
0 2 2 2 0 0 0 0 2 2 2 2 0 2 0 0 2 2 4 4 2 4 4
37.30 37.49 37.74 37.87 38.16 39.56 41.09 41.45 44.37 44.62 44.95 45.36 45.44 46.58 46.75 46.99 48.06 48.25 48.29 48.53 49.03 49.25 49.48
2.411 2.399 2.383 2.376 2.358 2.278 2.197 2.179 2.042 2.031 2.017 1.999 1.996 1.950 1.943 1.934 1.893 1.886 1.884 1.876 1.858 1.850 1.842
4 8 8 8 4 4 4 4 4 8 8 8 4 8 2 4 4 8 2 4 8 4 8
0.4 0.3 0.4 0.1 0.3 0.2 0.1 0.1 0.2 0.4 0.1 0.2 0.2 0.1 0.2 0.2 0.1 0.1 0.4 0.4 0.2 0.2 0.2
MOR
Maricopaite
Zeolites
16:323-602,
1996
533
MTN
Dodecasil
COMPOSITION:
(S imOm).(Nz,
CRYSTAL
Fd3 (No. 203) origin at centre (5) a = 19.402 I% b = 19.402 A c = 19.402 p\
DATA:
REFERENCE:
H. Gies, Z. Kristallogr.
h
k
1
20
d
M
Ire,
hkl
1 2 3 2 4 3 4 3 5 4 5 5 4 6 6 5
1 2 1 2 0 3 2 3 1 4 1 3 4 0 2 3
1 0 1 2 0 1 2 3 1 0 3 1 2 2 0 3
7.89 12.91 15.14 15.82 18.29 19.95 22.45 23.83 23.83 25.98 27.19 27.19 27.58 29.11 29.11 30.20
11.202 6.860 5.850 5.601 4.850 4.451 3.960 3.734 3.734 3.430 3.279 3.279 3.234 3.068 3.068 2.959
8 12 24 8 6 24 24 8 24 12 24 24 24 12 12 24
43.4 55.2 100.0 52.1 27.2 16.3 29.2 21.7 67.1 35.3 40.9 40.5 6.0 6.0 5.9 7.0
6 5 7 5 7 7 8 7 6 6 8 5 7 7 6 8
Zeolites
16:323-802,
1996
Ar, CH4)x.(N(CH3)3,
$ = 90”
a = 90”
534
3C
2 2 5 1 1 1 5 3 1 3 3 1 0 0 3 3 4 4 6 0 2 2 5 5 1 5 5 1 6 2 0 4
C02jy
y = 90”
167, 73582 (1984).
20
d
30.56 32.97 32.97 35.54 35.54 35.54 37.07 37.96 38.25 39.41 39.41 40.25 40.25 40.25 40.53 41.63
2.925 2.717 2.717 2.526 2.526 2.526 2.425 2.370 2.353 2.286 2.286 2.240 2.240 2.240 2.226 2.169
Af 24 24 24 24 24 24 6 24 24 12 24 8 24 23 24 12
IreI 0.1 1.5 0.2 2.6 2.4 2.4 0.8 11.0 0.6 9.4 13.0 3.4 0.4 0.4 0.9 1.0
hkl 8 7 7 8 7 7 9 8 8 7 9 9 6 10
4 3 5 4 5 7 3 2 6 7 1 5 6 2
0 5 3 4 5 1 3 6 2 3 5 1 6 2
20
d
IfI
Ire1
41.63 42.44 42.44 45.82 46.57 46.57 46.57 47.81 47.81 48.54 48.54 48.54 48.78 48.78
2.169 2.130 2.130 1.980 1.950 1.950 1.950 1.903 1.903 1.876 1.876 1.876 1.867 1.867
12 24 24 24 24 24 24 24 24 24 24 24 8 24
1.0 0.2 0.2 2.3 0.1 2.5 1.9 0.6 0.6 0.2 0.1 0.1 2.9 Fj.9
Dodecasil
MTN
3C
i
Zeolites
16:323-602,
1996
535
MTT
Ammonium
COMPOSITION:
(Si2404s). 1.72NH4F
CRYSTAL
P1211 (No. 4) unique axis b a = ll.i29 A’ b i 5.025 A a = 90” ,B = 89.85”
DATA:
REFERENCE:
hkl
26
0 1
0 0
1 0
0 1 -1 1 -1 0 1 -1 2 2 0 -2 0 1 -1 1 0 1 -1 2 -2 1 -1 0 1 -1 2 -2 1 -1 2 3 2 -2 3 -3 0 2 -2 3 -3 1 -1
0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 0 0 1 1 1 0 0 0 0 1 1 1 0 1 1 0 0 0 1 1 0 0 1 1
2 1 1 2 2 3 3 3 0 1 4 2 1 4 4 0 2 1 1 3 3 2 2 3 5 5 4 4 3 3 0 0 1 1 1 1 6 2 2 2 2 4 4
536
4.11 7.94 a.22 8.94 8.96 11.42 11.45 12.34 14.67 14.71 15.93 16.44 16.48 17.97 18.13 18.30 18.34 19.38 19.50 19.82 19.82 20.17 20.22 21.07 21.09 21.59 22.12 22.16 22.96 23.02 23.03 23.05 23.86 23.99 24.21 24.23 24.34 24.36 24.82 25.26 25.29 25.38 25.42 25.53 25.56
Zeolites
fluoride
d 21.519 11.129 10.759 9.896 9.875 7.746 7.725 7.173 6.036 6.022 5.565 5.391 5.380 4.937 4.893 4.848 4.839 4.580 4.553 4.480 4.478 4.402 4.391 4.216 4.212 4.116 4.018 4.011 3.873 3.863 3.862 3.858 3.729 3.710 3.676 3.673 3.657 3.654 3.587 3.526 3.522 3.510 3.504 3.489 3.485
16:323-802,
ZSM-23
c = 21.519 A y = 90”
B. Marler, C. Deroche, H. Gies, C. A. Fyfe, H. Grondey, Y. Feng, S. Ernst, J. Weitkamp and D. E. Cox, J. Appl. Cryst. 26, 636-644 (1993). M
I rel
2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 2 2 4
0.2 81.9 100.0 21.8 19.0 33.2 26.0 0.1 2.7 4.9 8.8 0.2 9.4 0.3 2.7 3.7 3.4 0.2 0.4 34.1 30.2 5.2 4.9 30.6 27.0 8.4 0.7 1.4 17.1 18.4 24.7 25.2 2.2 25.6 21.0 25.8 4.2 4.2 44.1 5.9 7.0 11.6 12.3 3.7 7.7
4 4 2 2 2 2 4 4 4 2 4 4 2 2 2 4 4 2 2 4 4
1996
h 1 -1 2 -2 2 -2 0 1 -1 2 -2 3 -3 2 -2 3 1 -1 3 -3 0 3 -3 1 -1 2 -2 3 -3 4 3 -3 4 -4 0 -2 0 1 -1 3 -3 2 -2 3 -3
k 0 0 0 0 1 1 1 1 1 1 1 0 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 0 0 0 1 1 0 0 0 0 1 0 0 1 1 1 1 0 0
1 6 6 5 5 3 3 5 5 5 4 4 4 4 6 6 0 7 7 1 1 6 2 2 6 6 5 5 5 5 0 3 3 2 2 8 7 7 8 8 4 4 6 6 6 6
20
d
M
26.08 26.12 26.14 26.21 26.93 26.96 27.28 28.44 28.47 29.11 29.16 29.21 29.28 29.60 29.67 29.94 30.14 30.18 30.22 30.24 30.62 31.08 31.11 31.67 31.70 31.72 31.78 31.80 31.89 32.17 32.47 32.52 33.24 33.28 33.31 33.33 34.19 34.28 34.32 34.33 34.39 34.67 34.73 34.75 34.84
3.416 3.411 3.409 3.400 3.311 3.307 3.269 3.138 3.135 3.068 3.062 3.058 3.050 3.018 3.011 2.984 2.965 2.961 2.957 2.955 2.919 2.878 2.874 2.825 2.822 2.821 2.816 2.814 2.806 2.782 2.758 2.753 2.695 2.692 2.690 2.688 2.622 2.616 2.613 2.612 2.608 2.587 2.583 2.582 2.575
2 2 2 2
4 4
4
2 2 2 4 4 2 2 2 2 4 2 2 4 4 4 2 2
I rel
h
k
4.6 4.7 18.1 14.1 1.6 0.5 3.7 4.8 5.0 1.2 2.0 0.3 0.4 2.3 2.4 0.6 0.3 0.5 3.3 0.4 0.4 0.3 1.6 3.3 1.3 0.9 1.9 5.9 4.5 2.1 0.9 1.0 0.5 0.4 0.6 0.2 0.3 0.8 0.6 1.7 1.0 0.3 1.4 0.2 0.2
1 -1 0 4 -4 3 1 -3 0 1 -1 4 2 -2 4 -4 1 -1 4 2 -4 0 0 -2 1 1 -1 -1 4 -4 2 2 -2 0 -1 5 4 -4 -5 4 2 -2 3 -2 -5
1 1 2 0 0 1 2 1 2 2 2 1 0 0 1 1 2 2 1 1 1 1 2 1 1 2 2 1 1 1 2 2 2 2 2 0 1 1 0 0 1 2 0 1 0
1 7 7 0 4 4 5 0 5 2 1 1 0 8 8 1 1 2 2 2 7 2 8 3 7 8 3 3 8 3 3 0 1 1 4 4 0 4 4 1 6 8 3 8 8 2
28 35.14 35.18 35.74 36.31 36.39 36.60 36.67 36.68 36.73 36.91 36.92 36.93 37.08 37.16 37.16 37.18 37.64 37.65 37.88 37.90 37.92 37.94 37.94 37.96 38.81 38.82 38.84 38.84 39.05 39.11 39.35 39.57 39.58 39.59 40.45 40.53 40.65 40.72 40.77 41.00 41.35 41.40 41.41 41.42 41.45
G. T. Kokotailo,
d
M
I rel
2.554 2.551 2.513 2.474 2.469 2.455 2.451 2.450 2.447 2.435 2.435 2.434 2.424 2.419 2.419 2.418 2.390 2.389 2.375 2.374 2.373 2.371 2.371 2.370 2.320 2.320 2.319 2.318 2.307 2.303 2.290 2.277 2.277 2.276 2.230 2.226 2.220 2.216 2.213 2.201 2.183 2.181 2.180 2.180 2.179
4 4 2 2 2
0.3 0.7 24.9 0.3 0.5 2.8 1.1 5.0 2.0 0.5 0.5 6.0 0.2 0.1 2.1 0.9 1.1 0.4 1.3 2.6 2.0 0.6 0.2 2.5 4.8 0.2 0.3 2.4 2.0 1.8 0.1 0.2 0.4 0.2 0.2 0.3 0.6 0.4 0.1 0.3 0.5 0.2 0.5 0.5 0.2
4 4 4
2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 2 2 4 4 2 4 2
Ammonium
fluoride
ZSM-23
-J 3 -7
Zeolites
16:323-602,
1996
537
MTW
Calcined
COMPOSITION:
si560112
CRYSTAL
Cl 2/c 1 (No. 15) unique axis b, cell choice 1 a = 24.8633 A b = 5.01238 A c = 24.3275 A cr = 90” ~3 = 107.7215” y = 90”
DATA:
C. A. Fyfe, H. Gies, G. T. Kokotailo, B Marler J. Physl Chem. 94: 3718-3721, (1990).
REFERENCE:
h
k
1
28
2 0 -2 2 -2 4
0 0 0 0 0
0 2 2 2 4
7.47 7.63 8.91 12.21 14.84
0 0 1 1
0 4 0 1
0 0
2 4
1 1 1 1
2 2 3 0
14.96 15.29 18.09 18.73 18.79 18.99 19.20 20.10 20.84 20.99
1 0 0
2 2 6
1
1 1
1 3
21.93 21.96 22.07
-3 6
1 0
3 0
22.25 22.52
-1
1
4
23.01
0 -6 -4 3 -3 1 4 -5 -5 3 5 -5 6 -3 2 -6 5 -5 3 -1 5 -3
0 0 0 1 1 1 0 1 1 1
6 4 6 2 4 4 4 1 2 3
23.03 23.08 23.36 23.53 23.93 24.51 24.55 25.30 25.30 25.60
1
0
25.88
1 0 1 0 0 1
3 2 5 6 6 1
25.90 25.97 26.10 26.36 26.94 27.01
0 1 1
4 2 -1 1 -1
3 -3 -6 -2 3
21.14 21.46
1
4
27.04
1 1 1 1
4 6 2 6
28.07 28.50 28.64 28.64
538
Zeolites
ZSM-12
d 11.842 11.586 9.929
7.252 5.970 5.921 5.793 4.904
4.737 4.722 4.673 4.622 4.417 4.263 4.232 4.202 4.141 4.053 4.048 4.027 3.996 3.947 3.865 3.862 3.853 3.808 3.781 3.718 3.632 3.626 3.520 3.519 3.480 3.443 3.440 3.431 3.415 3.381 3.310 3.301 3.297
M
I rel
hk
2 2 2 2 2 2 2 4 4 2 2 4 4 4 4
78.3 100.0 63.5 5.0 7.6 0.4 8.3 0.2 0.9 8.7 3.8 6.9 4.4 0.4 74.8
-8 -8 -2 -4 80
1.0
2 2 4 4 4 2 4 2 2 2 4 4 2 4 4
16:323-802.1996
1.1 2.1
0.4 1.9 5.9 1.1 1.3 10.0
2.5 0.5 1.1 11.6 7.9
3.179
3.132 3.117 3.117
2.8 1.4 2.2 0.7 0.4 6.9 0.5 18.5 9.6 22.2
4 4 4
0.2 5.5 5.9 1.0 0.7 0.3
1 0 0 0 0
11 513
-7 1 712 -1 1 515
-5 1 02 02 -8 0 0 1
-7 -2 2 22 02 -2 2 11 -4 0 31 22 -9 -9 -9
1 1 1
-2 -10 -9 -1 40
2 0 1 1
28.76 29.41 29.43 29.93 30.19
30.35 30.68 6 30.73 30.85 2 30.86 4 31.06 3 31.06 7 31.64 31.91 8 32.29 5 32.89 1 33.13 2 33.44 6 33.88 6 34.46 34.76 8 34.97 35.76 8 35.83 0 35.83 1 36.05 8 36.19 2 36.33 7 36.39 1 36.61 0 36.65 2 36.69 2 36.99 8 37.03 10 37.11 7 37.11 1 37.11 3 37.18 2 37.26 4 37.52 3 37.79 6 38.05 5 38.28 9 38.45 8 38.53 6
-5 1 315 -7 1 60 -7 1 -1 1 710 -6 0 -7 1 71 80 31
-10
2 4 8 8 0
26,
d 3.104 3.037 3.035 2.985 2.960 2.945 2.914 2.909 2.898 2.898
2.880 2.879 2.828 2.804 2.772 2.723 2.704 2.679 2.646 2.603 2.581 2.566 2.511 2.506 2.506 2.492 2.482 2.473 2.469 2.454 2.452 2.450 2.430 2.428 2.423 2.423 2.422 2.418 2.413 2.397 2.381 2.365 2.351 2.341 2.336
12f Ire, 2 2 2 2 2 4 4 4 4 4 2 4 4 4 2 4 4 2
4 4 4 4 4 4 2 4
0.4 2.0 4.0 0.4 0.1
0.2 0.2 0.1 0.4 1.3 3.8 2.6 0.6 0.7 0.4 1.7 1.8
0.6 3.0 1.5 2.6 0.9 0.6 2.0 9.4
2
0.1 0.1
2
0.2
4 4 4 4 4 4 2 4 4 4 4 4 4 2 4 4 2
1.0
0.6 0.3 1.3 0.9 0.6 1.7 1.4 0.1
0.7 0.2 0.5 1.0
0.4 0.2 0.5 0.5
and D. E. Cox,
h k
1
20
d
hf
IreI
9 -7 5 -4 -5 4 7 0 2 -4
0 8 6
38.64 38.64 38.70
2.330 2.330 2.327 2.324 2.323 2.308 2.306 2.300 2.296 2.287 2.286 2.258 2.227 2.209 2.205 2.189 2.189 2.174 2.169 2.159 2.154 2.148 2.144 2.143 2.131 2.116 2.113 2.102 2.101 2.094 2.081 2.077 2.066 2.060 2.060 2.056 2.056 2.047 2.046 2.037 2.027 2.025 2.019 2.005 2.005
4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 2 4 4 2 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 2 2 4 2 4
1.2 0.2 1.1 0.2 1.6 0.2 0.2
-9
9 3 2
1 1 1
2 1 2 1 2 2 2 1
1 1
2
1
38.75
9 0 4 4 3 3 6 1 8 4
38.76 39.03 39.06 39.16 39.24 39.40 39.42 39.92 40.51 40.86 40.92
-9
1
7
-10 -3 -8 7 5 2
0
8
1
10
41.25
0
10 5
41.54 41.64
7 10 10
41.83 41.94 42.06
-1
1 1 0 1
-6 4 -6 6 2 0 -6 -4
2 2 2 2 2 2 2 2
91
6 8
2 0
-11
1
-7 -11 -6 -11 1 -11 -4 -12
1 1 2 1 1 1 0 0
-11
-2 -5
2 3 3 0 5 6 4 6 3
41.24
42.15 42.17 42.41 42.74 42.80 43.02 43.05 43.21 43.49
1
43.58
6 3 10 4 5 2 10 5 12 6
43.83 43.96 43.96 44.04 44.05 44.24 44.27 44.48 44.71 44.76
1
1
44.88
0
12
45.22
1
11
45.22
0.1
0.5 0.1
0.4 2.0 0.3 0.2 0.3 0.9 0.3 0.4 0.3 0.3 0.6 0.2 0.3 0.3 0.3 0.7 0.1
0.7 0.3 0.4 0.2 0.1
0.4 0.3 0.1 1.0 0.2 0.1
0.2 0.3 4.8 0.2 0.7 0.2 0.1
Calcined
MTW
ZSM-12
Zeolites
16:323-802,
1996
539
NAT
Natrolite
COMPOSITION:
Na16(Si24A116080).l6H20 Aussig, Bohemia.
CRYSTAL
Fdd2 (No. 43) a = 18.30 A a = 90”
DATA:
REFERENCE:
h
k
2 1 0 4 1 3 2 4 3 4 1 5 0 2 2 2 6 3 5
2 1 4 0 3 1 4 2 3 4 5 1 2 0 2 6 2 5 3
540
1 0 1 0 0 1 1 0 0 1 0 1 1 2 2 2 0 0 1 1
Zeolites
28 13.56 15.04 19.05 19.40 20.22 20.39 21.41 21.64 24.50 27.32 27.93 28.29 28.70 28.76 30.35 30.40 30.85 31.22 31.44
W. M. Meier, Z. Kristallogr.
d
A4
I Id
h
k
6.528 5.890 4.657 4.575 4.391 4.356 4.151 4.106 3.633 3.264 3.195 3.155 3.111 3.104 2.945 2.940 2.899 2.865 2.845
4 8 2 2 8 8 4 4 8 4 8 8 4 4 8 4 4 8 8
59.6
2 4 4 6 1 7 0 4 3 8 7 0 2 6 8 2 6 6 1
4 2 6 4 7 1 8 4 7 0 3 6 8 0 2 6 2 6 1
16:323-802,
1996
100.0
24.9 16.0 40.5 47.2 22.5 13.6 1.6 3.2 32.0 37.3 11.5 13.8 33.4 2.6 3.8 61.7 54.9
b = 18.63 ii p = 90”
113, 430-444
1 2 2 0 0 1 1 0 2 1 0 1 2 0 2 0 2 2 0 3
28
d
34.73 34.88 34.92 35.17 36.74 37.31 38.66 38.81 39.38 39.39 39.83 39.86 39.95 40.26 40.61 41.12 41.46 41.50 41.63
2.583 2.572 2.569 2.552 2.446 2.410 2.329 2.320 2.288 2.287 2.263 2.261 2.257 2.240 2.222 2.195 2.178 2.176 2.169
c = 6.60 A y = 90”
(1960).
iv Ire1 8 8 4 4 8 8 2 8 8 2 8 4 4 4 4 8 8 4 8
7.5 12.2 0.7 1.3 15.7 15.3 3.0 5.5 1.3 2.1 0.6 5.2 1.1 3.0 1.7 12.5 10.3 4.3 0.6
h
k
1
4 1 3 8 5 7 4 6 1 3 9 1 3 5 2 9 8 2
8 3 1 4 7 5 6 4 9 33 1 5 9 1 8 3 2 10
0 3 3 0 1 1 2 2 1 1 3 1 3 2 1 2 0
28 43.61 43.94 44.02 44.11 44.26 44.50 44.70 44.90 46.23 46.24 47.01 48.30 48.44 48.53 48.89 49.12 49.46 49.96
d 2.075 2.060 2.057 2.053 2.046 2.036 2.027 2.019 1.964 1.963 1.933 1.884 1.879 1.876 1.863 1.855 1.843 1.826
A4 Ire1 4 8 8 4 8 8 8 8 8 8 8 8 8 8 8 8 8 4
0.6 2.1 1.9 1.6 0.2 0.2 0.4 0.6 1.5 3.2 1.1 4.3 0.8 6.0 0.8 0.6 1.7 6.1
Natrolite
J
Zeolites
16:323-802,
1996
641
NAT
Gonnardite
COMPOSITION:
(Na6,42Ko.olCal.50)(Silo.73Al~.22~~~)~12.37~~~
Tvedalen, Langesund District. CRYSTAL
DATA:
REFERENCE:
2 1 2 2 3 4 3 1 2 4 4
542
0 0 2 1 1 0 2 1 0 2 1
0 1 0 1 0 0 1 2 2 0 1
20
d
AI
Ire1
6.605 5.920 4.670 4.408 4.177 3.303 3.206 3.121 2.960 2.954 2.884
4 8 4 16 8 4 16 8 8 8 16
23.6 62.1 31.9 49.8 17.5 2.1 46.6 17.2 33.4 4.4 100.0
Zeolites
16:323-802,
1996
I42d (No. 122) a = 13.21 A b = 13.21 A Q = 90” p = 90”
c = 6.622 ii “, = 90”
F. Mazzi. A. 0. Larsen, G. Gottardi and E. Galli, Neues Jarhb. Mineral. Monatsh. 219-228 (1986).
13.41 14.97 19.00 20.14 21.27 27.00 27.83 28.60 30.19 30.26 31.01
hkl
Norway.
hkl 3 5 4 4 4 5 3 5 4 6 1
20 1 1 3 0 4 2 3 3 2 0 0
2 34.57 0 34.62 1 36.62 2 38.50 0 38.55 1 39.16 2 39.74 0 39.79 2 40.94 0 40.99 3 41.47
d 2.595 2.591 2.454 2.338 2.335 2.300 2.268 2.266 2.204 2.202 2.177
M
Ire1
16 8 16 8 4 16 8 8 16 4 8
15.2 4.8 21.9 4.6 5.1 3.0 8.7 1.0 19.7 6.0 0.4
h k
1
26,
6 2 6 5 3 5 3 6 5 6
0 3 1 2 3 1 3 1 2 0
43.32 43.78 43.87 44.40 45.99 46.08 48.12 48.21 48.70 49.77
2 1 1 1 0 4 2 3 3 4
d
M
Ire1
2.089 2.068 2.064 2.040 1.973 1.970 1.891 1.888 1.870 1.832
8 16 16 16 8 16 16 16 16 8
1.4 3.1 0.3 0.3 3.0 2.7 7.4 1.5 2.1 9.8
NAT
Gonnardite
/ > ,
Zeolites
16:323-802,
1996
543
NAT
Mesolite
COMPOSITION:
CRYSTAL
(Na16Ca16)(Si72A1480240).64H20 Poona, India.
DATA:
Fdd2 (No.
43)
a = 18.4049 A a = 90”
G. Artioli, J. V. Smith and J. J. Pluth, Acta Cryst. C42, 937-942 (1986).
REFERENCE:
h
k
1
28
0
4 2 4 8 6 1 3 8 5 7 12 0 1 9 4 3 12 5 6 11 7 8 14 9 10 13 11 16 12 2 15 1 3 13 6 5 0 2 2 14 4 4 7 18 17
0 0 0 0 0 1 1 0 1 1 0 0 1 1 0 1 0 1 0 1 1 0 0 1 0 1 1 0 0 2 1 1 1 1 2 1 2 2 0 0 2 0 1 0 1
6.24 10.11 11.47 12.50 13.44 14.45 15.11 15.79 16.37 18.09 18.80 19.29 19.90 20.16 20.29 20.39 21.15 21.34 21.48 22.49 22.70 23.05 24.02 24.40 24.93 25.02 26.38 26.98 27.06 27.44 27.70 27.85 28.21 28.59 28.88 28.92 28.96 29.14 29.28 29.39 29.65 29.80 29.96 30.00 30.49
2 2 0 2 1 1 2 1 1 0 4 3 1 4 3 2 3 4 1 3 4 2 3 4 1 3 2 4 0 1 5 5 3 0 5 2 2 6 4 2 6 5 2 1
544
Zeolites
d 14.164 8.752 7.717 7.082 6.590 6.130 5.862 5.612 5.416 4.905 4.721 4.601 4.462 4.405 4.376 4.355 4.201 4.163 4.136 3.953 3.917 3.858 3.704 3.648 3.572 3.559 3.378 3.305 3.295 3.251 3.221 3.203 3.163 3.122 3.092 3.087 3.083 3.065 3.050 3.039 3.013 2.998 2.983 2.978 2.932
16:323-602,
c = 6.5443 -k y = 90”
b = 56.655 A p = 90”
M
I rel
h
k
2 4 4 2 4 8 8 4 8 8 2 2 8 8
2.2 0.8 0.9 0.5 65.9 13.1 100.0 0.3 14.4 2.9 40.0 26.7 8.7 42.3 0.5 50.1 20.4 3.7 11.5 4.7 6.7 2.4 1.1 1.4 0.7 0.3 5.2 1.5 2.0 1.6 28.3 1.2 38.4 1.6 14.1 0.4 13.9 2.1 0.3 0.3 2.1 1.3 5.5 4.2 2.5
2 6 3 5 0 0 2 6 4 5 2 2 6 3 4 4 4 5 2 6 4 0 4 3 2 1 2 5 6 7 7 4 4 7 0 7 2 4 6 5 3 8 8 1 2
6 6 15 9 10 20 8 8 16 11 10 20 10 17 2 4 18 13 12 12 6 14 8 19 22 21 14 15 14 1 3 10 20 5 24 7 16 12 16 17 21 0 2 23 24
8 4 8 4 8 8 4 4 8 4 8 8 4 4 4 8 8 8 8 4 8 4 8 4 4 8 4 8 4 8
1996
1 2 0 1 1 2 0 2 0 0 1 2 0 0 1 2 2 0 1 2 0 2 2 2 1 0 1 2 1 0 1 1 2 0 1 0 1 2 2 0 1 1 0 0 1 0
28 30.50 30.64 30.98 31.29 31.57 31.58 31.65 31.79 31.89 32.89 33.08 33.09 33.21 33.52 33.76 34.22 34.52 34.72 34.75 34.88 34.96 35.27 35.99 36.20 36.22 36.35 36.64 36.75 36.76 36.88 37.16 37.27 37.27 37.72 38.12 38.54 38.72 38.78 38.84 38.97 38.98 39.16 39.29 39.39 39.41
d 2.931 2.917 2.887 2.859 2.834 2.833 2.827 2.815 2.806 2.723 2.708 2.707 2.697 2.673 2.655 2.621 2.598 2.584 2.581 2.572 2.566 2.544 2.496 2.482 2.480 2.472 2.452 2.445 2.445 2.438 2.420 2.413 2.412 2.385 2.361 2.336 2.325 2.322 2.318 2.311 2.311 2.301 2.293 2.287 2.287
M
Ire1
h
k
8 4 8 8 4 2 8 4 4 8 8 4 4 8 8 8 4 8 8 4 8 4 8 8 4 8 8 8 4 8 8 8 4 8 2 8 8 8 4 8 8 2 4 8 4
51.0 5.6 99.2 79.3 1.4 0.2 2.0 1.2 0.1 2.9 0.2 0.7 0.6 1.3 0.2 0.9 1.0 1.5 5.9 1.9 7.9 0.8 0.7 1.0 0.3 13.7 1.0 0.4 1.3 0.5 15.3 1.0 0.5 0.1 2.2 1.1 1.0 1.9 0.2 2.3 2.4 1.5 0.4 0.2 1.9
7 0 4 6 8 6 4 6 7 2 6 8 5 6 1 3 1 6 8 4 7 1 1 2 4 1 2 6 6 8 5 3 7 1 3 4 0 0 3 6 3 8 1 3 1
9 18 22 0 6 2 14 4 11 18 18 8 19 6 1 23 3 8 10 16 13 5 25 26 24 7 20 10 20 12 21 1 15 9 3 18 22 28 5 12 25 14 11 7 27
1 1 2 0 2 0 2 2 2 1 2 0 0 1 2 3 1 3 2 0 2 1 3 1 0 0 3 2 2 0 0 1 3 1 3 3 2 2 0 3 2 1 0 3 3 1
28
d
39.62 39.73 40.13 40.30 40.35 40.43 40.51 40.82 40.93 40.98 41.09 41.26 41.34 41.47 41.72 41.86 41.98 42.36 42.40 42.43 42.46 42.48 42.50 42.64 43.07 43.23 43.38 43.48 43.48 43.77 43.84 44.09 44.19 44.22 44.33 44.53 44.78 44.79 44.81 44.82 44.83 45.34 45.42 45.53 45.67
2.275 2.268 2.247 2.238 2.235 2.231 2.227 2.211 2.205 2.203 2.197 2.188 2.184 2.178 2.165 2.158 2.152 2.134 2.132 2.130 2.129 2.128 2.127 2.120 2.100 2.093 2.086 2.081 2.081 2.068 2.065 2.054 2.049 2.048 2.043 2.035 2.024 2.023 2.022 2.022 2.022 2.000 1.997 1.992 1.987
M
I rel
8 4 4 4 4 8 8 8 8 8 4 4 8 8 8 8 8 8 4 8 8 8 8 4 4 8 8 8 4 4 8 8 8 8 8 8 4 2 8 8 8 4 8 8 8
1.4 7.3 0.2 3.9 2.8 1.6 1.4 0.7 0.9 15.0 9.6 0.7 0.3 10.9 1.2 1.2 0.8 0.3 0.7 0.2 1.8 1.2 0.4 1.2 0.8 1.9 0.3 0.4 1.6 2.0 0.2 1.2 0.6 2.4 2.7 0.4 0.4 0.1 1.8 0.5 0.6 1.5 1.2 1.3 2.7
NAT
Mesolite
J ,
Zeolites
16:323-802,
1996
545
NAT
Scolecite
COMPOSITION:
Ca4(Si12A18040). Bombay, India.
CRYSTAL
Clcl (No. 9) unique axis b, cell choice 1 a = 6.5222 A b = 18.9678 a c = 9.8398 ii a! = 90” p = 109.972” yf = 90”
DATA:
REFERENCE:
hkl 0 -1 1 0 0 -1 1 -1 1 0 0 -1 1 0 -1 1 -1 0 1 -2 -2 2 0 -2 0 2 -1 1 -1 1 -2 0 -2
546
2 1 1 4 0 3 3 1 1 4 2 3 3 4 5 5 1 6 1 0 2 0 6 2 2 2 5 5 3 3 4 6 4
1 1 0 0 2 1 0 2 1 1 2 2 1 2 1 0 3 0 2 2 1 0 1 2 3 0 2 1 3 2 1 2 2
Zeolites
20
d
13.37 15.10 15.19 18.71 19.19 20.11 20.18 20.26 20.47 21.05 21.38 24.26 24.44 26.93 27.60 27.65 28.00 28.23 28.26 28.93 28.95 29.13 29.87 30.46 30.49 30.65 30.81 30.96 31.07 31.31 33.35 34.36 34.68
6.621 5.869 5.833 4.742 4.624 4.416 4.401 4.383 4.338 4.220 4.156 3.669 3.642 3.311 3.232 3.226 3.187 3.161 3.158 3.086 3.084 3.065 2.991 2.934 2.932 2.916 2.902 2.889 2.878 2.857 2.687 2.610 2.586
16:323-802,
12H20
J. V. Smith, J. J. Pluth, G. Artioli and F. K. Ross, Proc. 6th International Zeolite Conf., Reno 1983. Ed. by D. H. Olson and A. Bisio, Butterworths, London, 842-850 (1984)
M 4
4 4 4
1996
I rel 49.3 100.0 13.1 37.5 35.1 26.1 24.4 42.7 10.3 12.3 7.8 4.6 10.6 2.2 10.4 9.0 9.6 0.2 15.2 6.1 9.3 7.3 6.3 31.5 11.5 13.1 33.9 54.7 26.2 52.9 1.0 1.6 3.6
hkl 0 -2 2 2 -1 1 -1 1 -1 1 0 -2 -1 1 2 0 0 -1 1 -2 -2 0 2 -2 0 2 -2 2 -3 -3 0 0 1
4 2 4 2 7 7 5 5 1 1 8 4 7 7 4 0 8 3 3 6 0 2 0 6 6 6 2 2 1 1 8 4 7
3 3 0 1 1 0 3 2 4 3 0 3 2 1 1 4 1 4 3 1 4 4 2 2 3 0 4 2 2 1 2 4 2
28
d
M
IreI
34.71 34.80 34.85 35.14 36.20 36.25 36.52 36.72 36.87 37.15 37.95 38.60 38.78 38.90 38.92 38.95 39.22 39.32 39.59 39.71 40.03 40.14 40.48 40.87 40.89 41.01 41.19 41.64 42.07 42.18 42.86 43.55 43.76
2.585 2.578 2.574 2.554 2.481 2.478 2.461 2.447 2.438 2.420 2.371 2.332 2.322 2.315 2.314 2.312 2.297 2.291 2.276 2.270 2.252 2.246 2.228 2.208 2.207 2.201 2.191 2.169 2.148 2.143 2.110 2.078 2.069
4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 2 4 4 4 4 2 4 2 4 4 4 4 4 4 4 4 4 4
2.0 2.8 1.2 2.0 3.0 5.2 0.6 3.3 6.3 9.5 0.9 2.8 4.1 1.3 1.0 2.3 4.0 0.9 0.8 8.0 3.4 4.7 0.5 9.7 9.9 3.0 4.7 8.0 1.2 3.0 1.3 3.3 0.9
h, -1 1 -3 -3 -2 -3 -2 3 2 2 -1 1 -3 -1 3 1 -2 -1 1 0 -2 0 -1 2 -3 -3 1 0 0 3 2 -2
kl 5 5 3 1 6 3 4 1 6 4 9 9 3 1 3 1 8 9 9 10 8 8 3 8 5 1 3 6 10 1 2 6
20 4 3 2 3 3 1 4 0 1 2 1 0 3 5 0 4 1 2 1 0 2 3 5 0 1 4 4 4 1 1 3 4
43.89 44.13 44.28 44.29 44.32 44.38 44.53 44.60 44.60 44.95 45.48 45.51 16.42 46.43 46.72 46.73 47.41 17.64 47.74 47.96 48.41 48.43 48.48 48.54 48.56 48.58 48.78 48.80 49.02 49.07 49.51 49.70
d
M
Ire]
2.063 2.052 2.046 2.045 2.044 2.041 2.035 2.032 2.032 2.017 1.994 1.993 1.956 1.956 1.944 1.944 1.918 1.909 1.905 1.897 1.880 1.879 1.878 1.875 1.875 1.874 1.867 1.866 1.858 1.857 1.841 1.834
4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 3 3 4 4 4 4 4 4 4 4
1.0 1.5 2.4 0.1 0.5 2.7 2.6 5.0 1.7 0.2 2.2 0.6 8.4 1.3 0.7 0.3 1.2 0.5 3.9 1.4 1.5 0.9 0.8 0.1 1.7 1.7 3.0 2.6 3.5 3.2 4.3 0.5
NAT
Scolecite
0 v-
Zeolites
0
16:323-802,
1996
547
NES
NU-87 COMPOSITION:
(Si6s013s).20HzO
CRYSTAL
P121/c 1 (No. a = 14.324 A Q = 90”
DATA:
M. D. Shannon, J. L. Casci, P. A. Cox and S. J. Andrews. Nature 353, 417-420 (1991).
REFERENCE:
h -1 0 -1 0 -1 0 1 -2 1 -1 -1 0 -2 -2 -1 -2 -2 0 -2 0 1 -3 -3 -2 -2 -1 1 -3 -2 1 -3 -1 0 -3 -2 -2 -2 0 -3 -2 -1 -3 -2 1 -2
548
k 0 2 1 1 2 2 0 1 1 3 3 3 0 2 2 2 2 2 3 4 3 0 1 1 1 4 1 2 2 4 2 2 5 0 4 2 4 4 3 3 3 2 3 3 5
1
20
2 0 1 1 2 1 0 3 0 2 1 1 4 3 3 4 2 2 3 1 0 4 5 5 1 3 1 5 5 0 4 4 1 6 4 1 2 2 5 5 4 6 1 1 3
7.05 7.90 8.34 8.38 10.59 10.83 12.96 12.99 13.55 13.81 13.97 13.99 14.12 14.70 14.76 16.20 16.73 16.80 17.17 17.50 17.60 19.15 19.22 19.29 20.19 20.19 20.23 20.42 20.49 20.52 20.74 20.86 21.20 21.25 21.28 21.34 21.69 21.75 22.29 22.35 22.69 22.70 23.14 23.17 23.45
Zeolites
d 12.546 11.188 10.597 10.553 8.350 8.173 6.831 6.814 6.534 6.411 6.339 6.330 6.273 6.027 6.003 5.471 5.299 5.276 5.163 5.068 5.038 4.635 4.619 4.600 4.399 4.397 4.389 4.349 4.334 4.328 4.282 4.259 4.192 4.182 4.175 4.164 4.097 4.086 3.989 3.977 3.919 3.917 3.844 3.838 3.794
16:323-602,
14) unique axis b, cell choice 1 b = 22.376 A c = 25.092 hi 1(3= 151.515O y = 90”
M
Ire1
h
k
1
2 2 4 4 4 4 2 4 4 4 4 4 2 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4
10.9 100.0 12.9 19.6 9.2 0.5 5.7 2.4 0.5 0.3 0.3 1.4 0.6 0.3 0.1 3.7 0.3 0.3 0.9 0.3 0.4 0.4 8.3 11.0 1.9 0.1 4.1 1.5 0.4 26.3 0.1 1.6 0.3 0.2 6.7 0.2 0.2 0.1 10.5 12.4 0.5 12.9 0.7 1.4 1.2
-1 1 0 -2 -3 -2 -2 -4 -3 -1 -2 -1 -2 -2 1 -4 -3 2 -4 -2 2 -3 -4 -1 -1 -3 1 1 2 -3 0 -3 -2 -3 -1 -2 -2 -2 -3 0 1 1 -4 2 -1
5 5 6 5 4 4 5 0 4 6 0 4 1 4 4 1 1 0 2 2 1 4 1 1 6 0 0 6 2 4 4 5 5 5 2 6 6 5 2 6 5 2 0 3 7
3 0 0 4 5 5 2 6 4 1 6 4 6 1 1 7 7 0 6 6 0 6 5 5 3 2 2 0 0 3 3 5 5 4 5 4 2 1 2 2 1 2 8 0 1
1996
28 23.49 23.77 23.86 24.43 24.68 24.74 24.80 24.89 24.95 25.00 25.04 25.04 25.36 25.45 25.49 25.96 26.05 26.09 26.15 26.29 26.39 26.61 26.65 26.82 26.99 27.01 27.10 27.24 27.30 27.36 27.46 27.46 27.52 27.71 27.71 27.83 28.15 28.16 28.18 28.20 28.20 28.27 28.46 28.75 28.90
d
M
I rel
3.788 3.744 3.729 3.643 3.608 3.599 3.591 3.577 3.569 3.562 3.557 3.556 3.512 3.500 3.495 3.432 3.421 3.416 3.407 3.389 3.377 3.349 3.345 3.325 3.303 3.301 3.290 3.273 3.267 3.259 3.248 3.248 3.241 3.220 3.220 3.206 3.170 3.168 3.166 3.165 3.165 3.157 3.136 3.106 3.089
4 4 2 4 4 4 4 2 4 4 2
0.4 2.9 9.0 0.1 1.6 0.4 0.2 0.3 1.4 0.8 0.2 0.3 0.2 0.6 0.4 0.8 1.7 7.2 1.1 1.0 3.1 1.3 5.9 1.8 0.5 0.9 1.1 3.4 12.9 0.2 0.5 4.3 5.2 0.2 1.9 0.8 0.7 1.7 0.4 0.5 1.0 0.5 1.3 0.3 1.0
4
4 4 4 2 4 4 4 4 4 4 4 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4
h k 0 -4 -1 -3 -4 1 -2 -3 0 0 -3 -3 -2 2 -3 -4 -1 1 -4 -4 0 -1 -2 1 -3 -3 1 -5 0 -5 -3 -4 -1 0 -5 -1 -3 -5 -1 -3 -1 1 1 -4 -2
7 3 3 5 4 3 4 5 5 1 4 6 6 4 6 2 6 7 4 3 2 4 6 6 0 4 4 1 3 2 5 4 8 6 1 5 5 0 0 7 8 7 8 1 6
1 1 5 5 6 6 2 6 3 3 4 7 5 5 0 4 4 4 0 5 8 4 5 1 1 8 2 2 7 4 8 7 8 2 3 9 5 2 6 6 4 3 1 0 3 6
28 28.91 28.98 29.14 29.23 29.64 29.67 29.77 29.92 30.01 30.14 30.36 30.55 30.60 30.67 30.77 30.78 30.85 30.88 30.89 30.93 30.94 31.04 31.19 31.22 31.46 31.47 31.54 31.92 32.24 32.34 32.70 32.73 32.81 32.88 32.99 33.33 33.74 33.77 33.99 34.07 34.45 34.48 34.65 34.70 34.86
d
M
3.088 3.081 3.065 3.056 3.014 3.011 3.001 2.987 2.978 2.965 2.944 2.926 2.922 2.915 2.906 2.905 2.898 2.895 2.895 2.891 2.890 2.881 2.868 2.865 2.843 2.843 2.836 2.803 2.777 2.768 2.738 2.736 2.730 2.724 2.715 2.688 2.657 2.654 2.637 2.631 2.603 2.601 2.589 2.585 2.574
4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 2 2 4 4 4 4 4 4
IreI 1.3 1.0 0.9 0.2 0.4 0.2 0.4 0.6 0.5 0.3 0.2 1.8 0.3 0.2 0.9 0.4 0.9 0.2 0.6 0.5 0.2 0.4 0.3 1.1 0.2 0.4 0.2 0.1 0.2 0.3 0.2 0.3 0.7 0.3 0.1 0.7 0.1 0.5 0.7 0.5 0.1 0.1 0.1 0.1 0.2
NES
NU-87
Zeolites
16:323-602,
1996
549
NON
2-aminopentane
COMPOSITION:
(Sigs0176).4CsHllNH2
CRYSTAL
Fmmm (No. 69) CL= 22.232 A i = 15.058 A cy = 90” /3 = 90”
DATA:
REFERENCE:
h
k
2 1 0 0 2 3 2 1 2 4 4 1 5 3 0 3 4 6 2 0 1 6 2 6 5 4 5 0 3 7 2 6 1 4
0 1 2 0 2 1 0 3 2 2 0 1 1 3 4 1 2 0 4 0 3 2 0 0 3 4 1 2 3 1 2 2 5 4
550
1 0 1 0 2 0 1 2 1 2 0 2 3 1 1 0 3 2 0 0 4 3 0 4 2 1 0 3 4 3 1 4 2 1 2
28 7.95 9.61 11.75 12.99 14.21 14.82 15.25 19.26 19.30 19.85 20.62 20.81 21.84 22.36 23.63 23.72 23.80 24.02 24.97 26.16 26.77 26.82 27.38 27.40 27.59 28.64 28.71 28.76 29.12 29.48 29.89 29.90 30.67 31.56
Zeolites
Nonasil
d 11.116 9.199 7.529 6.814 6.234 5.976 5.809 4.608 4.599 4.472 4.307 4.268 4.070 3.975 3.765 3.751 3.738 3.705 3.566 3.407 3.330 3.325 3.257 3.255 3.233 3.117 3.109 3.104 3.066 3.030 2.989 2.988 2.915 2.834
16:323-602,
c = 13.627 A y = 90”
B. Marler, N. Dehnbostel, H. H. Eulert, H. Gies and F. Liebau. J Inclusion Phenomena 4, 339-349 (1986 j.
M
8
8 4 8 4 8 8 8 8 8 8
1996
I rel
h
k
1
20
d
24.5 52.7 5.4 4.3 2.9 1.6 2.8 61.7 14.4 31.2 100.0 30.3 0.2 47.3 4.7 10.4 2.0 21.8 26.1 5.4 24.4 3.5 26.4 0.4 14.7 1.6 3.2 0.5 1.9 2.1 4.5 1.9 1.1 4.2
8 3 5 6 7 8 8 7 0 3 0 6 6 5 2 8 9 1 6 0 7 2 4 5 4 3 0 8 2 5 0 4 9 2
0 5 3 4 3 2 0 1 4 1 6 0 4 5 6 2 1 3 2 6 3 6 4 1 6 3 0 4 0 5 2 6 1 2
0 1 3 0 1 0 2 3 4 5 0 4 2 1 0 2 1 5 4 2 3 2 4 5 0 5 6 0 6 3 6 2 3 6
32.21 32.76 33.37 33.95 34.05 34.40 34.87 34.98 35.54 35.60 35.78 35.80 36.49 36.64 36.71 36.92 37.48 37.78 37.81 38.22 38.98 39.10 39.17 39.23 39.39 39.54 39.68 40.34 40.54 41.30 41.53 41.65 42.07 42.35
2.779 2.733 2.685 2.641 2.633 2.607 2.573 2.565 2.526 2.522 2.510 2.508 2.462 2.453 2.448 2.435 2.400 2.381 2.379 2.355 2.311 2.304 2.300 2.297 2.287 2.279 2.271 2.236 2.225 2.186 2.174 2.168 2.148 2.134
nr
I rel
h
II-
1
2 8 8 4 8 4 4 8 4 8 2
1.7 3.2 11.0 0.4 0.2 0.5 1.0 2.0 2.1 0.7 11.4 1.3 2.3 2.6 3.5 4.2 1.4 2.6 0.2 0.2 3.1 0.8 1.5 3.5 1.8 4.0 0.8 1.6 0.3 1.7 1.3 0.2 0.7 0.1
10 8 1 10 5 4 6 6 8 7 3 1 9 2 6 7 3 0 1 6 1 5 2 10 7 4 9 0 8 2 10 4 11
2 4 7 0 3 0 4 6 2 1 7 5 3 6 6 5 5 4 7 0 1 7 4 4 3 6 5 8 6 8 4 4 1
0 2 1 2 5 6 4 0 4 5 1 5 3 4 2 3 5 6 3 6 7 1 6 0 5 4 1 0 0 0 2 6 3
8 8 4 8 8 8 8 4 8 8 8 8 4 8 2 4 4 8 8 8 8
28 42.39 42.56 42.75 42.78 42.89 43.02 43.35 43.55 43.72 44.20 44.35 45.05 45.54 45.63 45.64 46.09 46.58 46.71 46.91 46.92 47.26 47.42 47.46 47.49 47.55 47.90 48.11 48.35 48.90 49.09 49.45 49.67 49.75
d 2.132 2.124 2.115 2.113 2.109 2.102 2.087 2.078 2.070 2.049 2.043 2.013 1.992 1.988 1.987 1.969 1.950 1.945 1.937 1.936 1.923 1.917 1.916 1.91-l 1.912 1.899 1.891 1.882 1.863 1.856 1.843 1.836 1.833
M IreI 4 8 8 4 8 4 8 4 8 8 8 8 8 8 8 8 8 4 8 4 8 8 8 3 8 8 8 2 4 4 8 8 8
0.8 0.8 0.5 2.3 0.2 0.7 0.2 0.2 0.4 0.1 0.3 0.5 1.8 0.4 0.4 0.4 0.4 1.2 2.4 2.5 1.2 0.7 0.1 0.1 0.6 2.5 0.6 0.6 1.2 0.2 1.1 0.2 1.3
2-aminopentane
NON
Nonasil
Zeolites
16:323-602,
1996
551
OFF
Offretite
COMPOSITION:
(K1.1Mgo.7Cal.l)(Sil2.8~~5.2~36).15.2H20 Mt. Simiouse, France.
CRYSTAL
PBm2 (No. 187) a = 13.291 A b = 13.291 A a = 90” p = 90”
DATA:
REFERENCE:
hkl 1 0 0 0 1 1 2 1 2 2 3 0 2 1 3 2 1 3 2 2 3
552
0 1 0 0 1 0 1 0 0 1 0 0 2 1 1 0 2 1
1 0 1 0 1 1 0 0 2 1 2 1 0 2 0 2 1 1
20 7.68 11.67 13.32 13.99 15.40 17.75 19.36 20.41 23.18 23.47 23.58 24.72 26.03 26.83 27.08 27.95 28.19 29.35 30.38
Zeolites
d 11.510 7.582 6.645 6.332 5.755 4.998 4.584 4.350 3.837 3.791 3.773 3.601 3.423 3.323 3.293 3.192 3.166 3.043 2.942
16:323-802,
c = 7.582 A y = 120”
J. A. Gard and J. M. Tait, Acta Cryst. B28, 825-834 (1972)
M
I El
h
k
6 2 6 12 6 12 12 12 6 2 24 12 12 6 12 12 12 12 24
100.0 16.3 12.0 9.9 15.6 0.2 13.6 18.9 14.0 1.5 35.1 20.6 1.3 3.8 1.5 2.0 7.8 0.3 3.8
4 2 4 3 0 4 2 3 1 3 2 5 4 3 5 2 4 3 3
0 1 0 2 0 1 2 2 0 1 0 0 0 3 0 1 2 2 3
1996
1 0 2 1 0 3 0 2 1 3 2 3 0 2 0 1 3 0 2 1
26’ 31.08 31.30 33.30 33.95 35.52 35.75 35.94 36.01 36.39 36.81 38.92 39.13 39.31 40.73 40.97 41.31 41.51 41.68 42.51
d
M
Ire,
h
k
1
28
d
M
I,,,
2.878 2.858 2.690 2.641 2.527 2.512 2.499 2.494 2.468 2.442 2.314 2.302 2.292 2.215 2.203 2.185 2.175 2.167 2.126
6 24 12 12 2 12 12 24 12 24 12 6 12 6 12 24 12 24 12
18.4 28.2 6.8 0.3 0.6 10.5 0.4 3.9 0.3 0.6 1.4 0.9 0.4 3.3 1.0 0.6 0.2 0.1 2.1
3 4 4 5 2 5 3 5 3 4 0 4 1 6 5 4 3
0 1 2 1 2 1 1 0 3 0 0 2 0 0 2 3 2
3 2 1 0 3 1 3 2 2 3 4 2 4 1 0 1 3
42.85 43.21 43.27 43.79 45.07 45.48 45.79 46.13 47.54 47.90 48.00 48.23 48.68 48.98 49.45 49.65 49.95
2.111 2.094 2.091 2.067 2.012 1.994 1.982 1.968 1.913 1.899 1.895 1.887 1.870 1.860 1.843 1.836 1.826
12 24 24 12 12 24 24 12 12 12 2 24 12 12 12 24 24
1.8 0.7 2.5 0.4 0.1 2.1 0.5 1.7 0.1 2.3 3.6 0.2 1.5 0.1 1.0 0.4 0.1
OFF
Offretite
Zeolites
16:323-602,
1996
553
-PAR
Partheite
COMPOSITION:
Cas(Si16A116060(OH)8).16HzO Taurus Mountains, Turkey.
CRYSTAL
Cl 2/c 1 (No. 15) unique axis b, cell choice 1 CL= 21.555 A h = 8.761 A c = 9.304 A ck! = 90” d = 91.55” Y = 90”
DATA:
REFERENCE:
h
k
1
20
2 1 -1 1 3 4 3 0 0 -2 2 2 -1 1 0 5 -2 2 -3 -5 6 -4 5 3 4 4 -4 0 2 -5 5 -1 7 1 1 -6 6 -7 6 -4 -1 1 7
0 1 1 1 1 0 1 0 2 0 0 2 1 1 2 1 2 2 1 1 0 0 1 1 0 2 2 2 2 1 1 1 1 3 1 0 0 1 2 2 3 3 1
0 0 1 1 0 0 1 2 0 2 2 0 2 2 1 0 1 1 2 1 0 2 1 2 2 0 1 2 2 2 2 3 0 0 3 2 2 1 0 2 1 1 1
8.21 10.90 14.41 14.56 15.96 16.46 18.78 19.08 20.27 20.60 21.01 21.90 21.93 22.13 22.43 23.00 23.83 24.02 24.71 24.72 24.79 24.95 25.15 25.23 25.64 26.22 27.79 27.98 29.36 29.69 30.42 30.77 30.79 30.90 30.98 31.05 31.89 32.05 32.23 32.36 32.37 32.43 32.53
554
Zeolites
d 10.774 8.116 6.146 6.084 5.554 5.387 4.725 4.650 4.381 4.312 4.228 4.058 4.053 4.017 3.963 3.867 3.733 3.705 3.603 3.602 3.591 3.568 3.540 3.529 3.474 3.399 3.210 3.189 3.042 3.009 2.938 2.906 2.904 2.894 2.886 2.880 2.806 2.793 2.777 2.766 2.766 2.760 2.752
16:323-802,
N. Engel and K. Yvon, Z. Kristallogr. 169, 165-175
Al
4 4 2 4 2 2 2 2 4 4 4 4 4 4 4 4 2 2 4 4 2 4 4 4 4 4 4 4 4 4 2 2 4 4 4 4 4 4
1996
I El
h
I;
1
100.0
-3 4 3 3 -6 6 -3 3 -7 -2 1 2 -5 5 -6 5 6 -8 -3 5 3 0 -4 9 8 8 2 -9 -8 1 9 8 0 -3 -5 -4 10 -7 5 3 -1 7 4
1 2 3 1 2 2 3 3 1 2 3 2 1 3 2 1 2 0 3 3 3 0 2 1 0 2 0 1 2 1 1 2 4 1 3 0 0 1 3 1 3 3 0
3 2 0 3 1 1 1 1 2 3 2 3 3 0 2 3 2 2 2 1 2 4 3 0 2 0 4 1 1 4 1 1 0 4 2 4 0 3 2 4 3 0 4
57.5 9.9 40.3 1.2 6.4 1.0 5.3 9.1 10.3 2.0 9.4 1.6 6.5 3.4 10.2 43.2 2.7 0.2 27.6 15.5 0.1 0.9 21.1 0.6 13.9 0.6 35.1 32.1 2.6 35.8 59.2 0.4 0.9 1.1 11.1 6.9 32.9 12.1 13.7 0.7 6.6 8.8
20 32.79 32.91 33.11 33.39 33.48 33.88 34.43 34.62 36.04 36.29 36.63 36.66 36.71 37.19 37.37 37.62 38.09 38.16 38.32 38.62 38.67 38.73 38.99 39.00 39.10 39.27 39.88 39.98 40.27 40.46 40.49 40.72 41.22 41.80 41.85 41.90 41.93 42.09 42.40 42.46 42.66 42.68 42.77
(1984).
d
I El
2.732 2.722 2.705 2.683 2.676 2.646 2.605 2.590 2.492 2.476 2.453 2.452 2.448 2.418 2.407 2.391 2.363 2.359 2.349 2.331 2.328 2.325 2.310 2.309 2.304 2.294 2.260 2.255 2.240 2.229 2.228 2.216 2.190 2.161 2.158 2.156 2.155 2.147 2.132 2.129 2.119 2.119 2.114
0.3 0.1 21.6 1.9 11.8 0.7 0.5 3.7 2.8 2.0 3.0 1.8 4.8 4.0 0.8 0.5 0.3 1.0 0.9 2.2 2.5 5.7 0.7 0.3 1.0 0.4 3.5 1.6 2.7 0.1 13.4 0.1 4.2 0.4 6.5 0.7 4.0 2.4 5.9 0.4 1.7 7.0 1.2
4 4 4 4 4 4
4
h k -2 -6 2 -8 -7 7 0 6 9 8 -2 -5 2 -4 0 4 -6 -10 5 -2 2 -7 10 -4 10 -5 7 4 -10 5 10 -11 -9 6 -4 -8 4 9 -6 -7 9 6
4 2 4 2 3 3 2 2 1 2 2 1 2 4 4 4 0 0 1 4 4 3 0 2 2 3 3 2 2 3 2 1 1 4 4 2 4 3 4 1 1 4
1 1 3 1 2 1 1 4 3 2 2 4 4 4 1 2 1 4 2 4 2 2 2 2 4 0 3 2 4 1 3 1 1 3 0 2 3 2 0 1 4 3 1
28 43.21 43.28 43.31 43.58 43.64 44.01 44.09 44.24 44.24 44.43 44.72 45.00 45.14 45.67 45.79 45.87 45.92 45.94 46.03 46.50 46.71 46.79 46.95 46.97 47.00 47.33 47.49 47.77 47.82 48.08 48.31 48.35 48.54 48.69 48.79 48.83 49.18 49.21 49.59 49.59 49.85 49.88
d 2.094 2.090 2.089 2.077 2.074 2.057 2.054 2.047 2.047 2.039 2.026 2.014 2.009 1.987 1.982 1.978 1.976 1.976 1.972 1.953 1.945 1.942 1.935 1.935 1.934 1.921 1.914 1.904 1.902 1.893 1.884 1.882 1.876 1.870 1.867 1.865 1.853 1.852 1.838 1.838 1.829 1.828
iv IreI 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 2 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4
6.8 1.8 0.8 0.7 1.0 0.8 0.9 2.9 4.3 0.1 1.2 0.8 3.0 2.2 0.5 0.1 1.2 1.8 9.2 3.0 1.7 3.7 2.8 2.1 0.8 2.1 3.6 2.4 0.2 1.8 5.7 1.2 0.2 0.2 2.3 0.3 0.3 1.9 1.4 0.5 0.3 0.8
Partheite
Zeolites
16:323-802,
1996
555
PAU
Paulingite
COMPOSITION:
(Nal3K6sCa36Bal,5)(Si52oA115201344).705H20 Rock Island Dam, Washington, U.S.A.
CRYSTAL
Imzm (No. 229) a = 35.093 a b = 35.093 A 0. = 90” p = 90”
DATA:
REFERENCE:
h k 1 1 1 0 2 2 2 3 2 3 4 3 4 4 3 4 4 5 5 4 4 5 6 5 6 6 5 6 6 5 5 7 6 5 6 6 7 6 7 8 5 7 8 6 8 6 8 7
556
0 11 2 1 2 2 0 3 1 2 3 2 3 1 2 4 3 3 0 3 1 2 4 2 3 4 5 1 4 5 3 4 3 5 3 0 5 4 1 4 2 5 2 4
0 0 0 2 1 0 0 1 0 2 2 1 0 1 0 3 0 0 2 1 0 1 2 1 3 0 0 0 2 3 2 0 1 2 0 4 1 1 4 0 3 2 3
28 3.56 5.04 6.17 7.12 7.97 8.73 9.43 10.08 10.70 10.70 11.28 11.83 12.36 12.86 12.86 13.82 14.28 14.72 14.72 15.15 15.57 15.57 15.97 16.37 16.76 17.14 17.87 17.87 17.87 18.23 18.58 18.58 18.92 19.26 19.92 19.92 20.24 20.56 20.56 20.56 20.87 20.87 21.18 21.49 21.79
Zeolites
d 24.815 17.546 14.327 12.407 11.097 10.130 9.379 8.773 8.272 8.272 7.847 7.482 7.163 6.882 6.882 6.307 6.204 6.018 6.018 5.849 5.693 5.693 5.549 5.415 5.290 5.174 4.963 4.963 4.963 4.866 4.776 4.776 4.690 4.608 4.457 4.457 4.387 4.320 4.320 4.320 4.256 4.256 4.194 4.136 4.079
16:323-802,
c = 35.093 8+ y = 90”
E. K. Gordon, S. Samson and W. B. Kamb. Science 154, 1004-1007 (1966).
M
IreI
12 6 24 12 24 8 48 6 12 24 24 24 24 48 24 48 12 24 24 6 48 24 24 48 24 48 48 12 24 24 24 24 48 24 48 48 6 24 48 24 24 24 48 24 48
42.1 63.6 4.4 13.7 24.7 0.6 12.3 2.5 100.0 3.3 3.3 7.6 11.1 83.2 2.8 0.2 13.7 0.2 0.5 21.8 26.2 2.3 0.2 9.6 4.1 4.0 0.5 0.1 23.7 0.5 0.3 44.4 10.2 1.9 1.9 0.1 14.0 2.0 0.1 0.5 5.8 4.4 1.3 1.0 10.6
1996
hkl 7 8 7 8 8 9 6 7 9 7 8 9 7 9 8 7 8 9 8 10 8 10 9 6 10 7 9 10 8 10 9 10 9 11 9 10 11 8 9 11 8 10 9 10 8
5 3 5 4 3 1 5 6 2 5 5 3 6 3 4 7 5 4 6 1 6 2 5 6 2 6 5 3 6 4 6 3 5 1 6 5 2 8 7 3 8 4 7 5 6
0 1 2 0 3 0 5 1 1 4 1 0 3 2 4 0 3 1 0 1 2 0 0 6 2 5 2 1 4 0 1 3 4 0 3 1 1 0 0 0 2 4 2 3 6
20
d
21.79 21.79 22.37 22.66 22.95 22.95 23.51 23.51 23.51 24.06 24.06 24.06 24.59 24.59 24.86 25.12 25.12 25.12 25.38 25.64 25.89 25.89 26.14 26.39 26.39 26.64 26.64 26.64 27.37 27.37 27.61 27.61 28.08 28.08 28.55 28.55 28.55 28.78 29.01 29.01 29.24 29.24 29.46 29.46 29.69
4.079 4.079 3.974 3.923 3.875 3.875 3.784 3.784 3.784 3.699 3.699 3.699 3.620 3.620 3.582 3.545 3.545 3.545 3.509 3.475 3.441 3.441 3.409 3.377 3.377 3.346 3.346 3.346 3.258 3.258 3.231 3.231 3.177 3.177 3.126 3.126 3.126 3.102 3.078 3.078 3.055 3.055 3.032 3.032 3.009
M
Ire1
24 48 48 24 24 24 24 48 48 48 48 24 48 48 24 12 48 48 24 24 48 24 24 8 24 48 48 48 48 24 48 24 48 24 48 48 48 12 24 24 24 24 48 48 24
0.9 0.4 0.2 0.9 10.2 2.7 1.2 0.2 0.1 1.1 0.4 5.7 0.3 9.6 24.4 0.5 1.5 0.7 0.2 0.3 0.1 2.1 0.1 0.9 4.5 0.2 0.3 39.2 0.3 45.2 2.6 0.2 7.5 0.5 3.1 17.2 12.8 1.3 1.7 64.1 0.1 0.2 0.1 1.4 1.0
hkl 8 11 10 9 8 9 9 11 10 10 11 10 12 9 12 10 12 11 12 9 11 10 11 13 10 11 13 12 9 12 13 10 10 11 13 12 11 10 11 12 13 12 14 13 14
7 4 6 6 8 7 8 5 5 7 5 6 2 8 3 7 4 5 4 9 6 8 7 1 7 7 2 4 9 5 3 8 9 6 3 6 7 9 8 7 4 6 0 5 1
5 1 2 5 4 4 1 0 5 1 2 4 2 3 1 3 0 4 2 2 3 2 0 0 5 2 1 4 4 3 0 4 1 5 2 2 4 3 3 1 3 4 0 2 1
20
d
M
Ire1
29.91 29.91 30.13 30.35 30.57 30.79 30.79 30.79 31.21 31.21 31.21 31.43 31.43 31.64 31.64 32.06 32.27 32.47 32.68 32.88 32.88 33.09 33.29 33.29 33.69 33.69 33.69 33.89 34.08 34.08 34.08 34.28 34.48 34.48 34.48 34.67 34.87 35.25 35.63 35.63 35.63 35.82 35.82 36.01 36.01
2.987 2.987 2.966 2.945 2.924 2.904 2.904 2.904 2.865 2.865 2.865 2.846 2.846 2.828 2.828 2.792 2.774 2.757 2.740 2.724 2.724 2.707 2.692 2.692 2.660 2.660 2.660 2.645 2.630 2.630 2.630 2.616 2.601 2.601 2.601 2.587 2.573 2.546 2.519 2.519 2.519 2.507 2.507 2.494 2.494
48 48 48 48 24 48 48 24 24 48 48 48 24 48 48 48 24 48 48 24 48 48 24 24 48 48 48 24 24 48 24 48 48 48 48 48 48 48 48 48 48 48 6 48 24
0.3 28.1 13.0 0.8 0.1 1.6 0.1 1.4 0.2 0.3 3.6 3.9 0.5 1.5 2.1 4.8 0.9 0.5 2.7 0.1 20.5 1.7 0.2 0.4 0.3 0.1 0.7 0.9 6.7 3.3 0.3 29.7 2.1 0.2 0.5 0.7 5.4 1.2 7.0 0.2 4.1 1.3 2.2 0.2 1.3
PAU
Paulingite
0 Q)
8
0 m
Zeolites
16:323-802,
1996
557
Phillipsite
COMPOSITION:
(K2Cal.5Nao.4)(SilOA15032)~12H20 Casal Brunori, Rome, Italy.
CRYSTAL
P121/m 1 (No. a = 9.865 A ck = 90”
DATA:
R. Rinaldi? J. J. Pluth and J. V. Smith, Acta Cryst. B30, 2426--2433 (1974).
REFERENCE
h k 1 1 0 0 -1 0 0 110 -1 0 12 -1 0 -2 -2 101 -1 11 1 -1 -1 -2 -2 0 2 -2 1 -1 0 0 2 -2 0 -2 1 -1 -3 0 0 -3 1 -1 -3 -3 2 -2 -3 -3
558
0 0 2
1 1 0
1 1
1 1 0 1
2 21 0 1 0 3 3 1 2 0 31 1 1 2 2 0 4 2 2 12 3 4 4 0 2 4 0 3 3 1 1 3 3 2 2
1 1 2 1 0 1 2 1 2 0 2 1 2 2 0 0 2 1 0 1 1 2 1 2 1 2 1 2 0 2 1 2
28 10.84 10.93 12.35 12.38 12.49 12.56 13.82 16.48 16.54 17.52 17.98 19.03 20.58 20.72 21.51 21.59 21.64 21.64 21.89 21.96 22.40 22.67 22.83 24.09 24.21 24.84 24.91 25.13 25.28 25.62 26.00 27.23 27.27 27.78 27.84 27.89 27.89 27.89 27.99 28.49 28.59 28.80 28.94 30.52 30.61
Zeolites
d
Al
I rel
h
k
8.159 8.095 7.169 7.150 7.087 7.045 6.409 5.377 5.359 5.063 4.932 4.663 4.316 4.287 4.131 4.116 4.108 4.107 4.060 4.048 3.969 3.923 3.895 3.695 3.677 3.585 3.575 3.543 3.522 3.477 3.428 3.275 3.270 3.211 3.204 3.199 3.199 3.199 3.188 3.133 3.122 3.099 3.085 2.929 2.920
2 2 2 2 4 4 4 4 4 4 2 4 2 2 4 4 4 4 4 2 4 4 4 4 4 2 2 4 4 4 4 4 4 2 4 4 2 4 4 4 4 4 4 4 4
10.8 24.3 82.5 64.3 30.5 1.4 37.0 33.6 18.6 45.8 75.3 11.7 10.6 14.1 44.8 11.8 6.8 46.8 27.1 5.4 3.2 10.7 0.3 2.1 3.6 0.3 0.1 0.2 0.2 6.8 7.2 40.0 21.5 13.5 59.5 100.0 17.9 7.9 17.7 62.1 45.5 1.4 10.5 22.9 14.5
2 -2 -2 0 2 -2 1 1 -1 -1 3 1 1 -3 -1 -1 2 2 -2 -2 3 -3 0 -3 -3 1 -1 3 0 -3 -4 -4 0 -3 1 -3 1 -1 3 013 -3 2 -4 -2 -4
01 4 0 3 1 1 0 4 0 4 0 12 5 0 1 5 2 4 4 2 1 3 5 3 1 2 2 2 4 2 0 1 0 4 3 4 5 5 3
0 3 3 1 1 0 2 3 0 1 1 2 3 2 3 0 2 3 2 2 3 1 2 2 1 2 0
3 5 0 5 2
3 0 1 2 2
16:323-802,
11) unique axis b b = 14.300 A c = 8.668 A ,3 = 124.20” y = 90”
1996
1 1 3 2 1 3 2 1 3 2 0
20 30.71 30.89 30.96 31.22 31.35 31.60 32.44 32.52 32.59 32.61 32.93 33.06 33.19 33.20 33.20 33.22 33.23 33.32 33.44 33.46 33.54 33.65 33.74 33.74 33.80 34.84 34.99 35.31 35.46 35.56 36.43 36.99 37.64 37.65 37.66 37.73 37.73 37.81 38.09 38.18 38.33 38.44 38.50 38.54 38.62
d 2.911 2.895 2.888 2.865 2.853 2.831 2.760 2.753 2.747 2.746 2.720 2.710 2.699 2.698 2.698 2.697 2.696 2.689 2.680 2.678 2.672 2.663 2.656 2.656 2.652 2.575 2.565 2.542 2.531 2.525 2.466 2.430 2.390 2.389 2.388 2.384 2.384 2.379 2.362 2.357 2.348 2.342 2.338 2.336 2.331
iu
2 4 2 4 4 4 2 4 2 4 2 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 2 4 4 4 4 4 4 4 4 4 2 4 4
Ire1
0.8 1.2 12.7 0.8 0.3 0.2 22.1 13.3 13.7 18.2 0.1 26.8 27.1 6.5 11.0 4.8 10.0 1.7 6.5 23.4 10.9 0.3 8.1 2.4 6.4 6.2 4.6 6.8 16.1 7.3 3.1 2.3 0.5 14.3 4.5 5.2 0.7 3.0 3.9 1.9 0.4 7.6 0.2 11.4 1.6
h k -4 -4 -4 1 0 2 -2 0 -3 1 -1 3 2 -3 -3 -2 -2 2 -3 -3 1 -1 3 2 -3 2 -2 -2 2 4 -2 -4 -4 1 -1 1 1 0 -1 170 -1 3 3 2 0
1
0 1 1 6 6 4 4 5 3 4 4 4 0 4 0 6 0 1 5 1 6 6 2 2 2 6 6 2 5 0 5 4 0 0 0 1 5 6 1
3 1 3 0 1 1 3 2 2 2 3 0 2 3 4 1 4 2 2 4 1 2 1 2 4 0 2 4 1 0 3 2 4 3 4 3 2 2 4
5 3 5 3 7
3 1 0 2 1
28
d
38.71 39.03 39.24 39.38 39.86 39.93 40.14 40.34 41.21 41.33 41.45 41.73 41.87 41.95 41.98 42.11 42.16 42.36 42.39 42.47 43.37 43.44 43.58 43.82 43.93 44.00 44.09 44.10 44.40 44.41 44.59 44.64 44.78 45.13 45.29 45.60 45.68 45.71 45.76 45.79 45.79 45.94 46.05 46.18 46.21
2.326 2.307 2.296 2.288 2.262 2.257 2.247 2.236 2.190 2.185 2.179 2.164 2.158 2.154 2.152 2.146 2.143 2.134 2.132 2.128 2.086 2.083 2.077 2.066 2.061 2.058 2.054 2.053 2.040 2.040 2.032 2.030 2.024 2.009 2.002 1.989 1.986 1.985 1.983 1.982 1.981 1.975 1.971 1.966 1.965
iv Ire1 2 4 4 4 4 4 4 4 4 4 4 4 2 4 2 4 2 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 2 2 2 4 4 4 4 4 4 4 4 4 4
0.7 1.0 3.9 0.2 0.7 6.3 0.9 6.5 2.2 0.7 1.3 4.8 0.1 9.0 0.1 0.3 0.1 1.4 1.6 0.3 3.3 0.7 2.4 2.2 1.9 0.1 1.7 5.1 2.9 5.3 0.7 0.5 0.3 1.0 4.3 2.5 0.1 1.1 0.1 6.5 0.1 2.7 1.4 1.8 0.4
PHI
Phillipsite
Zeolites
16:323-802,
1996
669
Harmotome
COMPOSITION:
BazCao,5(Sil~A14032).12H20 Andreasberg, Hartz, Germany.
CRYSTAL
P121/m 1 (No. 11) unique axis b b = 14.139 ii a = 9.879 A c = 8.693 I! cl = 90” ,i3= 124.81’ y = 90”
DATA:
R. Rinaldi, J. J. Pluth and J. V. Smith, Acta Cryst. B30, 2426-2433 (1974).
REFERENCE
h -1 1 0
k 1 0 1 0 0 0 1
0
2
0
-1 1 0 1
1 1 1 2
1 0 1 0 1
0 -2 -1 1 -1 1 -1 1 -2 0 -2 2 -1
2
0 1 0 0 I 1 3 3 2 3 1 1 2
1
2
0
0 4 2 1 3 4 4
0 -2 0 -2 -1 1 -3 -3
2 1 2 1 1 0 1 1 2 0 2 1 2
0
0
2 2 1 1 0 2 1
0
2
2
-1 1 04 -3 -3 -2 2 -3 -3 -2 2 -2
3 3 1 1 3 3 2 2
2 1 1 2 1 2
01 4
1
0
3
2
560
0
0
0 2 1 3
28
d
M
I rel
10.87 10.91 12.40 12.52 12.55 12.58 13.90 16.63 17.66 17.96 20.69 20.75 21.64 21.69 21.79 21.81 21.95 22.61 22.75 22.81 24.26 24.30
8.136 8.111 7.137 7.070 7.052 7.036 6.372 5.329 5.023 4.940 4.292 4.281 4.107 4.098 4.078 4.075 4.049 3.933
2 2 2 2 4 4 4 4 4 2 2 2 4 4 4 4 4 4 4 4 4 4 2 2 4 4 4 4 4 2 2 4 4 4 4 4 4 4 4 4 4 2 2 4 4
51.2 62.2 70.8 0.1 12.0 5.8 100.0 0.1 33.7 0.7 18.6 10.0 14.1 23.6 29.2 14.5 42.4 2.6 8.6 18.6 2.9 3.5 2.9 3.6 1.4 10.6 3.8 16.4 27.6
3.909
24.95 25.19 25.26 25.75 26.13 27.51 27.53 27.78 27.82 28.01 28.12 28.16 28.17 28.51 28.54 29.00 29.05 30.58 30.61 30.86 30.96 31.11 31.44
Zeolites
3.898 3.669 3.662 3.569 3.535 3.526 3.460 3.410 3.242 3.240 3.211 3.206 3.186 3.173 3.169 3.168 3.131 3.127 3.079 3.074 2.923 2.920 2.897 2.888 2.874 2.845
16:323-802,
9.8 1.0 8.0 2.6 0.6 32.2 42.8
38.9 11.2 12.0 6.8 20.5 5.2 1.4 3.4 6.3
1996
hkl -2 2 -1 1 -1 1 3 -1 1 -2 2 -1 1 -2 2 -3
3 -3 -3 0 -1 1 -3 3
28 1 1 0 0 4 4
3 1 3 2 2 1
0
0
1 1 2 2 5 5 4 4 1 1
3 2 3 1 1 0 2
3 3
2
0
5 2 2 2 2 4
-4 -2 2 -4 0 -3 -1 1 -1 1 0 -3 0
3 3 1 0 4 3 3 5 5 6 3 1
3 -4 -4 -4 -2 2 -4
0
0 3 0 1 1 3 2 3
0 2 2 3 1 2 3 2 3 2 2 1
0 3 3
3 0
0 3
0 2 5 5 1
1 2 2
0 3
31.52 31.62 32.62 32.68 32.82 32.86 33.13 33.25 33.30 33.42 33.51 33.55 33.56 33.59 33.63 33.65 33.75 33.78 33.81 34.10 35.07 35.12 35.45 35.55 35.75 36.38 36.40 36.48 36.95 37.81 37.85 37.93 37.98 38.11 38.14 38.19 38.29 38.37 38.38 38.53 38.61 38.62 38.78 38.82 39.08
d
n1
2.838 2.830 2.745 2.740
2.729 2.726 2.704
2.695 2.690 2.681 2.674 2.671 2.670 2.668 2.665 2.663 2.656 2.654 2.651 2.629
2.559 2.555 2.532 2.525 2.511 2.470 2.468 2.463 2.433
2.379 2.377 2.372 2.369 2.361 2.360 2.357 2.350 2.346 2.345 2.336 2.332 2.332 2.322 2.320 2.305
4 4
I l-21
h
k
1
20
d
M
3.2 1.0 4.5 6.7 17.1 14.6 0.2 11.7 22.6 10.3 11.5 14.0 14.3
-4 -1 1 0 -2
1 6 6 2 4 6 4 2 5 4 4 0 4 4
1 1 0 3 3 1 1 3 2 3 2 4 3 4 2 4 1 1
2.301 2.264 2.263 2.255 2.241 2.238 2.237 2.218 2.216 2.168 2.166 2.161 2.152 2.148 2.146 2.141 2.136 2.129 2.127 2.124 2.122 2.122 2.121 2.117 2.093 2.090 2.066 2.065 2.060 2.054
4 4 4 4 4 4 4 4 4 4 4 2
0 0
39.16 39.83 39.83 39.98 40.25 40.30 40.32 40.67 40.71 41.66 41.70 41.81 41.99 42.07 42.10 42.21 42.32 42.46 42.50 42.57 42.60 42.61 42.63 42.72 43.22 43.29 43.83 43.85 43.95 44.10 44.20 44.46 44.55 44.69 44.76 44.79 44.86 45.03 45.38 45.44 45.86 45.92 45.98 46.08 46.12
7.0 1.3 4.2 0.6 0.8 0.8
9.9 4 4 4 4 2 4 4 4 2 4 4 4 4 4 2 4 4 4 2 2 4 4 4 4
3.6 3.0 16.2 10.8 11.4 2.0 6.1 1.4 1.3 2.3 0.2 4.1 6.1 0.5 2.9 1.5 0.2 1.3 6.4 1.8 0.5 4.0 6.6
9.7 3.6
0 2 -4
0 -1 1 -3 -3 3 -2 2 -3
3 -2 0 -3 -2 -3 2 -4 -4 -1 1
1 1
6 3 5 1 5 1 3 3 6 6
3
2
-2 2 2 -4 4 -4 -2 2 -4 -1 1 -1 1 0 -1 1
2 2 6
0
3 2 4 1 2 3 1 2 1 1 4 2
0
0 0
4
4 5 5 1 0 0 1 1 4 5 5
2 3 1 4 4 3 4 3 3 3 2
0
2.049 2.037 2.034 2.028 2.025 2.024 2.021 2.013 1.998 1.996 1.979 1.976 1.974 1.970 1.968
4 4 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 2 4 4 4 4 2 2 4 4 4 4 4
I El 8.7
0.9 2.8 3.4 4.0 1.1 5.6 2.8 0.2 0.3 0.6 0.2 10.2 5.2 1.3 0.3 0.5 0.3 2.2 0.6 0.2 0.5 0.7 0.7 0.3 1.5 3.6 5.0 2.1 7.5 4.3 0.2 0.4 4.2 1.2 2.5 1.9 4.4 3.1 3.1 0.6 1.5 0.4 0.4 1.6
PHI
Harmotome
Zeolites
l&323-802,
1996
561
RHO
Hvdrated
rho
COMPOSITION: CRYSTAL
DATA:
Iv&n (No. 229) h = 15.031 A a = 15.031 A 3 = 90” a = 90”
REFERENCE:
h
k
1 2 2 2 3 2 3 4 3 4 4 3 4 4
1 0 8.32 0 0 11.77 1 1 14.43 2 0 16.68 1 0 18.67 2 2 20.47 2 1 22.13 0 0 23.68 3 0 25.14 1 1 25.14 2 0 26.52 3 2 27.84 2 2 29.10 3 1 30.32
562
1
Zeolites
28
A
L. B. McCusker and Ch. Baerlocher, In Proc. 6th International Zeolite Conf., Ed by D. H. Olson and A. Bisio, Butterworths: Guildford, Surrey; pp. 812-822 (1984).
d
M
Ire,
hkl
10.628 7.515 6.136 5.314 4.753 4.339 4.017 3.758 3.543 3.543 3.361 3.205 3.068 2.948
12 6 24 12 24 8 48 6 12 24 24 24 24 48
70.2 1.9 5.0 18.2 49.0 13.0 16.2 7.8 2.6 100.0 49.5 11.4 8.4 7.1
5 5 4 4 5 4 6 5 6 6 5 6 6 5
16:323-602,
c = 15.031
y = 90”
1996
1 2 4 3 3 4 0 3 1 2 4 2 3 5
0 1 0 3 0 2 0 2 1 0 1 2 1 0
28
d
30.32 32.63 33.73 34.80 34.80 35.84 35.84 36.86 36.86 37.85 38.83 39.78 40.71 42.53
2.948 2.744 2.657 2.578 2.578 2.505 2.505 2.438 2.438 2.377 2.319 2.266 2.216 2.126
Af
Ire1
24 48 12 24 24 24 6 48 24 24 48 24 48 12
26.1 33.5 3.0 3.5 3.5 32.1 0.2 2.9 0.1 1.3 0.5 2.1 4.7 3.8
28
hkl 7 6 5 7 6 7 6 7 8 5 7 8
1 4 5 2 4 3 5 3 0 5 4 1
0 0 2 1 2 0 1 2 0 4 1 1
42.53 43.41 44.28 44.28 45.14 45.98 47.64 47.64 48.45 49.25 49.25 49.25
d
Iv
Ire1
2.126 2.084 2.046 2.046 2.009 1.974 1.909 1.909 1.879 1.850 1.850 1.850
24 24 24 48 48 24 48 48 6 24 48 24
2.9 0.1 5.5 0.3 0.3 1.4 6.8 1.5 8.5 4.0 2.5 1.1
Hydrated
RHO
rho
7 i -7
Zeolites
16:323-802,
1996
563
RHO
Pa hasapaite
(Lill.sNao.l92Kl.zCa5.5013.5)(Be24P24096).38H20
COMPOSITION:
Custer, S. Dakota, U.S.A. CRYSTAL
DATA:
123 (No. 197) a = 13.781 if cl = 90”
REFERENCE:
h k 1 1 1 0
20
d
M
Ire,
h
k
100.0 14.7 11.7 0.7
4 5 5 5 5 4 5 4 6 5 5 6 6 6 5 5
3 1 33.15 0 1 33.15 1 0 33.15 1 2 35.68 2 1 35.68 3 3 38.07 3 0 38.07 4 2 39.22 0 0 39.22 2 3 40.34 3 2 40.34 1 1 40.34 0 2 41.44 2 0 41.44 1 4 42.51 4 1 42.51
1 2
1 0
9.07 15.75 18.21
9.745 5.626 4.872
12 24 12
0 1
1 0
20.38 20.38
4.358 4.358
12 12
2
2
22.35
3.978
8
8.3
3 3 4 3 4 4 4 3 4 4
1 2 0 3 1 0 2 3 2 1
2 1 0 0 1 2 0 2 2 3
24.16 24.16 25.86 27.46 27.46 28.97 28.97 30.42 31.81 33.15
3.683 3.683 3.445 3.248 3.248 3.081 3.081 2.938 2.813 2.703
24 24 6 12 24 12 12 24 24 24
31.3 7.3 6.8 0.4 43.7 19.7 0.4 32.0 8.5 5.2
Zeolites
16:323-802,
c = 13.781 A y = 90”
R. C. Rouse, D. R. Peacor and S. Merlino, Am. Mineral. 74, 1195-1202 (1989).
2 2 3 3 2
564
b = 13.781 A p = 90”
1996
19.0
1
20
d
M
Ire,
hkl
2.703 2.703 2.703 2.516 2.516 2.363 2.363 2.297 2.297 2.236 2.236 2.236 2.179 2.179 2.127 2.127
24 12 12 24 24 24 12 24 6 24 24 24 12 12 24 24
3.4 9.9 0.3 4.2 5.5 1.2 2.3 1.1 7.4 5.3 0.4 6.1 0.6 3.1 0.9 3.3
6 6 6 4 5 5 5 7 7 6 5 6 7 7 6 6
20 2 2 43.56 1 3 44.59 3 1 44.59 4 4 45.61 3 4 46.60 4 3 46.60 5 0 46.60 0 1 46.60 1 0 46.60 0 4 47.58 5 2 48.54 3 3 48.54 1 2 48.54 2 1 48.54 2 4 49.49 4 2 49.49
d 2.078 2.032 2.032 1.989 1.949 1.949 1.949 1.949 1.949 1.911 1.875 1.875 1.875 1.875 1.842 1.842
M 1x1 24 24 24 8 24 24 12 12 12 12 24 24 24 24 24 24
6.2 2.1 0.1 4.0 1.6 0.7 3.8 1.3 1.1 1.8 0.3 0.7 0.3 0.7 3.9 0.1
RHO
Pahasapaite
Zeolites
16:323-602,
1996
565
RHO
Deuterated
COMPOSITION:
Rb24(BendAs24096).3.2DzO
CRYSTAL
123 (No. 197) a = 14.001 A cl = 90”
DATA:
REFERENCE:
hkl 1 1
0
2 2 2 3 3 2 3 3 4 3 4 4 4 3 4 4 4
0 1 0 1 0 2 2 1 0 0 1 2 0 2 2 3 1
566
0 1 2 0 1 2 1 2 0 3 1 0 2 3 2 1 3
26’
d
iv
IreI
hkt
9.900 7.001 5.716 4.950 4.427 4.427 4.042 3.742 3.742 3.500 3.300 3.300 3.131 3.131 2.985 2.858 2.746 2.746
12 6 24 12 12 12 8 24 24 6 12 24 12 12 24 24 24 24
51.7 9.7 17.6 4.4 22.9 1.5 4.9 23.1 84.6 1.6 2.7 100.0 53.3 4.0 65.5 27.0 6.3 22.7
5 5 5 5 4 4 5 5 4 6 5 5 6 6 6 5 5 6
16:323-802,
b = 14.001 A P = 90”
c = 14.001 A y = 90”
.J. B. Parise, D. R. Corbin, T. E. Gier. R.. L. Harlow, R. B. Von Dreele, Zeolites 12, 360-368 (1992). And J. B. Parise, Private Communication (1994).
8.93 12.64 15.50 17.92 20.05 20.05 21.99 23.78 23.78 25.45 27.02 27.02 28.51 28.51 29.93 31.30 32.61 32.61
Zeolites
berylloarsenate
1996
0 1 1 2 4 3 0 3 4 0 2 3 1 0 2 1 4 2
1 0 2 1 0 3 3 0 2 0 3 2 1 2 0 4 1 2
20
d
M
IreI
hkl
32.61 32.61 35.10 35.10 36.30 37.45 37.45 37.45 38.58 38.58 39.68 39.68 39.68 40.76 40.76 41.81 41.81 42.84
2.746 2.746 2.556 2.556 2.475 2.401 2.401 2.401 2.334 2.334 2.271 2.271 2.271 2.214 2.214 2.160 2.160 2.111
12 12 24 24 12 24 12 12 24 6 24 24 24 12 12 24 24 24
10.3 0.5 31.7 18.3 6.9 3.5 4.7 0.9 1.8 2.0 6.9 0.5 4.6 0.2 5.3 7.6 8.9 4.1
6 6 4 5 5 5 7 7 6 6 5 6 7 7 6 6 7 7
1 3 4 3 4 5 0 1 0 4 5 3 1 2 2 4 0 3
3 1 4 4 3 0 1 0 4 0 2 3 2 1 4 2 3 0
L. Abrams
and
20
Al
IreI
24 24 8 24 24 12 12 12 12 12 24 24 24 24 24 23 12 12
2.9 14.9 0.7 5.8 4.6 2.0 0.3 0.2 7.5 1.1 1.0 3.4 5.9 7.5 2.9 8.6 2.3 0.8
43.86 43.86 44.85 45.83 45.83 45.83 45.83 45.83 46.79 46.79 47.73 47.73 47.73 47.73 48.67 48.67 49.58 49.58
d 2.064 2.064 2.021 1.980 1.980 1.980 1.980 1.980 1.942 1.942 1.905 1.905 1.905 1.905 1.871 1.871 1.838 1.838
Deuterated
RHO
berylloarsenate
7
0 a
Zeolites
16:323-602,
1996
567
-RON
Roggianite
COMPOSITION:
Cals(Bes(OH)l&&2Allfi01o4) Pizxo Marcia, Val Vigezzo,
CRYSTAL
I4/mcm (No. a = 18.33 A cl! = 9o”
DATA:
REFERENCE:
hkl 110 2 0 2 2 2 1 3 1 4 0 0 0 3 2 3 3 1 1 4 2 2 0 4 1 2 2 5 1 3 1 4 3 4 0 5 2 5 3 3 3 4 2 6 2 6 1
568
28 6.82 0 9.65 0 13.66 1 14.50 0 15.29 0 19.37 2 19.38 1 19.97 0 20.56 2 20.57 0 21.68 2 21.69 1 22.23 2 23.79 0 24.77 2 24.77 1 26.18 2 27.53 1 27.96 0 28.39 2 28.40 2 29.24 0 30.85 1 31.25
Zeolites
140) b = 18.33 A p = 9o”
c = 9.16 8, y = 90”
G. Giuseppetti, F. Mazzi, C. Tadini and E. Galli, Neues Jahrb. Mineral. Monatsh. 7, 307-314 (1991).
d
M
I rel
h
k
1
12.961 9.165 6.481 6.109 5.797 4.582 4.580 4.445 4.320 4.318 4.099 4.097 3.999 3.740 3.595 3.594 3.403 3.239 3.191 3.144 3.143 3.054 2.898 2.862
4 4 4 16 8 4 2 16 4 8 8 8 16 8 8 16 16 8 16 8 8 16 8 16
100.0
2 5 5 4 6 3 5 7 5 6 6 4 6 7 7 4 8 0 6 5 5 1 8 2
1 1 4 4 3 2 5 1 3 4 0 1 2 2 3 3 0 0 5 2 5 1 2 0
3 31.26 2 31.64 I 32.78 2 33.89 1 34.24 3 34.26 0 34.60 0 34.60 2 34.61 0 35.31 2 35.31 3 35.67 2 36.69 1 37.03 0 37.36 3 38.37 0 39.32 4 39.34 1 39.64 3 39.65 2 39.96 4 39.98 0 40.58 4 40.61
16:323-802,
< 2.5H20 Italy.
1996
35.0 2.8 25.5 6.0 0.6 0.2 0.6 1.8 3.0 0.6 5.0 0.4 5.2 1.1 21.7 28.0 5.3 14.9 9.7 6.2 0.4 5.0 5.2
28
d
M
IreI
hkl
2.861 2.828 2.732 2.645 2.619 2.618 2.592 2.592 2.592 2.542 2.541 2.517 2.449 2.428 2.407 2.346 2.291 2.290 2.274 2.273 2.256 2.255 2.223 2.222
16 16 16 8 16 16 4 8 16 8 8 16 16 16 8 16 4 2 16 16 8 8 8 8
6.3 12.8 0.7 8.5 0.7 1.0 2.5 0.5 0.5 0.2 11.4 1.4 5.0 0.3 0.1 2.8 2.2 4.8 1.5 0.7 0.8 1.5 3.1 0.3
6 2 6 7 3 8 8 8 4 9 3 8 6 7 9 9 7 5 4 6 7 5 8 6
28 6 2 1 3 1 3 4 0 0 1 3 2 6 6 2 3 5 1 4 5 7 3 6 0
0 4 3 2 4 1 0 2 4 0 4 2 2 1 1 0 2 4 4 3 0 4 0 4
41.82 41.84 42.13 42.43 42.44 43.31 44.19 44.20 44.21 44.77 44.79 45.35 46.48 46.75 46.75 47.03 47.03 47.05 48.69 48.95 49.21 49.23 49.74 49.76
d
M
Ire1
2.160 2.159 2.145 2.131 2.130 2.089 2.049 2.049 2.048 2.024 2.023 2.000 1.954 1.943 1.943 1.932 1.932 1.931 1.870 1.861 1.852 1.851 1.833 1.832
4 8 16 16 16 16 8 8 8 8 8 16 8 16 16 8 16 16 8 16 4 16 8 8
0.8 0.8 0.3 2.6 0.3 0.5 0.6 3.1 0.2 2.0 0.5 0.3 0.5 1.9 0.3 5.5 0.1 0.6 0.2 0.9 3.2 7.7 1.0 0.9
-RON
Roggianite
Zeolites
16:323-602,
1996
569
RSN
RUB-17
COMPOSITION:
(K4Nal;?)(SimZn8072).18H20
CRYSTAL
Clml (No. 8) unique axis b: cell choice 1 a = 7.238 8, b = 40.56 H, c = 7.308 A D = 91.8” Q = 90” y = 90”
DATA:
REFERENCE:
h
k
1
26'
0 0 0 1 0 0 1 0 1 -1 0 1 0 -1 1 1 -1 1 0 0 I 1 0 2 0 2 0 0 -1 2 0 1 -1 1 -2 -2 0 1 -1 2 2 2 1 -2 0
2 4 0 1 2 6 3 4 5 1 8 1 6 3 3 7 5 5 8 10 9 7 0 0 2 2 10 4 9 4 12 9 1 11 0 2 6 1 3 0 6 2 3 4 12
0 0 1 0 1 0 0 1 0 1 0 1 1 1 1 0 1 1 1 0 0 1 2 0 2 0 1 2 1 0 0 1 2 0 1 1 2 2 2 1 0 1 2 1 1
4.36 8.72 12.12 12.43 12.88 13.10 13.88 14.95 16.42 17.12 17.49 17.66 17.88 18.21 18.72 19.63 20.22 20.68 21.33 21.91 23.25 23.34 24.37 24.61 24.77 25.01 25.11 25.93 26.12 26.16 26.37 26.48 27.09 27.14 27.16 27.52 27.76 27.79 27.81 27.86 27.98 28.22 28.50 28.58 29.11
570
Zeolites
d 20.280 10.140 7.304 7.122 6.872 6.760 6.379 5.927 5.399 5.180 5.070 5.022 4.961 4.872 4.740 4.523 4.391 4.294 4.165 4.056 3.825 3.812 3.652 3.617 3.594 3.561 3.546 3.436 3.412 3.407 3.380 3.366 3.291 3.285 3.283 3.241 3.213 3.210 3.208 3.202 3.189 3.163 3.132 3.123 3.068
16:323-802,
C. Riihrig and H. Gies, Angew. Chern. Int. Ed. Engl. 34, 63-65 (1995).
M
I*-,1
h
k
1
20
d
111
2 2 2 4 4 2 4 4 4 4 2 4 4 4 4 4 4 4 4 2 4 4 2 2 4 4 4 4 4 4 2 4 4 4 2 4 4 4 4 2 4 4 4 4 4
0.5 16.5 3.5 6.0 46.7 1.4 100.0 7.6 4.3 24.4 28.4 27.9 31.0 5.4 11.5 0.1 1.7 5.1 7.8 0.1 2.2 0.6 4.2 1.6 0.5 4.0 15.5 18.7 1.0 5.3 32.9 0.7 24.8 37.8 5.4 34.4 38.5 17.2 14.8 6.6 58.7 19.7 12.3 1.9 5.8
-1 2 -1 1 1 0 -2 2 0 2 -1 1 1 -2 2 2 0 -1 -1 1 1 -2 -2 -2 0 1 2 -2 2 2 0 2 -1 2 -2 0 1 0 3 0 1 3 0 -2 -1
5 41 11 5 11 8 6 8 14 6 7 13 7 8 8 10 14 13 9 13 9 0 2 10 16 15 0 4 10 2 12 12 11 4 6 0 11 2 1 16 15 3 4 12 1
2
29.20 29.25 29.66 29.85 29.98 30.16 30.27 30.35 30.86 30.90 31.17 31.22 31.79 32.49 33.09 33.18 33.27 33.45 33.65 33.75 34.23 34.34 34.63 35.17 35.41 35.44 35.47 35.50 35.73 35.76 36.21 36.38 36.53 36.60 36.90 36.92 37.07 37.19 37.36 37.56 37.72 37.90 38.01 38.22 38.71
3.059
4
1996
1 2 1 2 1 0 0 1 2 0 2 1 1 0 1 1 2 1 2 2 2 1 0 0 2 2 1 2 2 0 2 2 2 3 2 3 0 1 1 0 3 1 3
3.053 3.012 2.993 2.980 2.963 2.953 2.945 2.897 2.894 2.869 2.865 2.815 2.756 2.707 2.700 2.693 2.679 2.664 2.656 2.620 2.611 2.590 2.552 2.535 2.533 2.531 2.529 2.513 2.511 2.481 2.470 2.460 2.455 2.436 2.435 2.425 2.417 2.407 2.395 2.385 2.374 2.368 2.355 2.326
4 4 4
4 4 4 4 4 2 4 4 2 4 2 4 4 4 4 4 4 2 4 4
I IX!1 21.2 4.0 9.2 9.2 11.6 12.4 8.4 0.1 1.2 2.2 1.0 1.6 8.9 5.4 23.6 2.3 10.0 5.3 1.0 2.7 5.7 16.6 1.3 8.5 10.9 2.4 7.8 2.5 6.4 5.2 2.8 1.8 8.7 1.9 0.1 3.0 4.2 2.3 2.3 6.3 1.7 3.2 1.5 3.7 0.3
h
k
1
28
2 -2 3 -3 -1 0 1 -3 0 -1 1 3 2 2 1 0 1 -1 3 3 -3 1 -2 0 3 -1 -1 1 0 2 -3 2 1 3 3 -1 0 0 2 1 -1 -2 -3 -2 1
12 8 5 1 3 6 1 3 14 13 17 1 8 14 3 18 13 5 3 7 5 5 10 8 5 17 7 17 18 14 7 10 7 9 7 15 10 16 16 15 9 12 9 0 19
1 2 0 1 3 3 3 1 2 2 0 1 2 0 3 0 2 3 1 0 1 3 2 3 1 1 3 1 1 1 1 2 3 0 1 2 3 2 0 2 3 2 1 3 0
38.74 38.79 38.96 39.03 39.24 39.33 39.48 39.55 39.71 39.74 39.78 39.79 39.81 39.87 40.00 40.01 40.25 40.27 40.31 40.52 40.58 41.02 41.11 41.13 41.32 41.61 41.79 41.86 41.96 42.06 42.08 42.08 42.51 42.52 42.80 43.24 43.34 43.45 43.60 43.71 43.74 43.81 44.02 44.18 44.24
d 2.324 2.321 2.311 2.308 2.296 2.291 2.282 2.279 2.270 2.268 2.266 2.265 2.264 2.261 2.254 2.253 2.241 2.239 2.237 2.226 2.223 2.200 2.196 2.195 2.185 2.170 2.162 2.158. 2.153 2.148 2.147 2.147 2.127 2.126 2.113 2.092 2.088 2.082 2.076 2.071 2.070 2.067 2.057 2.050 2.047
M
Ire1
4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4
4.7 2.2 5.3 1.7 0.7 0.1 3.2 2.7 3.2 4.6 4.2 2.0 5.1 3.3 4.9 1.4 0.3 0.9 1.9 2.5 1.8 2.7 1.2 4.2 0.8 7.1 1.4 1.4 4.4 0.3 1.8 0.1 0.5 2.6 1.8 1.5 0.4 5.6 1.6 4.5 6.0 1.7 0.2 1.0 1.1
RSN
RUB-17
J -2
Zeolites
16:323-602,
1996
571
RTE
RUB-3
COMPOSITION:
(Si2404s).2(exo-2-aminobicyclo[2.2.l.]heptan)
CRYSTAL
Cl 2/m 1 (No. a = 14.039 A cl! = 90”
DATA:
REFERENCE:
B. Marler, A. Griinewald-Liike Zeolites 15, 388-399 (1995).
and H. Gies.
26
d
M
I l-621
h
k
1
20
d
M
I,,,
h
k
1
20
d
M
Ire1
4 2 2
100.0 9.4
1 1
30.74 31.10
2.909 2.875
4 2
6.0
-1
3
3
41.58
2.172
2
41.97
2.152
4
1.0 0.1
14.13 17.87
6.269 4.963
4 4
4 4
0
0
1
1 2 3
0 1 0
18.37 19.59 20.49 20.51 20.63
4.830 4.531 4.335 4.330 4.305
4 2 4 4 4
2 4 6 0 0 5 3 5
0
1 1
6 -4 2 -6 2 1 -3 -3 6
2.168 2.165
6.801
4 2
41.67 41.72
13.02
2.871 2.807
0 2
0
31.16 31.88
0.1 0.1 2.2
0.3 0.8
2 2
4 4 4
2 1 2 2
2 3 2 3 2
42.00 42.14 42.88 43.29 43.72
2.151 2.144 2.109 2.090 2.070
2 2 4 4 4
0.2 0.3 0.8 0.2 0.4
0 3
1 3
43.96 44.13
2.060 2.052
2
1.6
1
1
21.67
4.102
4
-2 4 -1 -4 3 2 2 5 1 4 -3 -4
4
1 0
9.660 7.260 6.861
3
44.29
2.045
0.2 0.2
3 2 0 1 0 1 0 4 0 1 3 2 2 3 4 2 4 2 0
1
23.31
3.816
4
1
44.70
2.027
4
02-i
1
23.60
3.770
4
3.630 3.578 3.532 3.431 3.430 3.401 3.391 3.243 3.220 3.202 3.135
2 4 2 4 2 2 2 4 4 4 4
45.63 46.03
4
24.52 24.88 25.21 25.97 25.97 26.21 26.28 27.51 27.70 27.86 28.47
3 3
1.988
2 2 2 1 0 0 1 2 0 2 2
2 6 4 4 2
4 4
1 3 1
46.04 46.50 46.82
1.972 1.971 1.953 1.940
4 4 4 4
0.8 0.5 0.3
1
28.60
3.121
4
1
29.00
3.079
4
47.03 47.66 48.11 48.27 48.29 48.34 48.59 48.65 48.92
1.932 1.908 1.891 1.885 1.885 1.883 1.874 1.872 1.862
4 4 4 4 4 4 4 2 4
0
29.16
3.063
4
0 2 0 2 1 2 1 3 3 4
49.13 49.79 49.81
1.854 1.831 1.831
2 4 4
1
1
0
0
0 0
572
12) unique axis b, cell choice 1 b = 13.602 A c = 7.428 ii p = 102.22” y = 90”
9.15 12.19 12.90
hkl
2 0 -1 0 2 2 3 -2 1 -3 -1 2 0 -1 -2 3 4 0 -4 1 3 0 -2 -3 0 4 2 -4 2
SiO:, framework
0
29.31
3.047
4
1
29.43
3.035
4
2
30.19
2.960
2
Zeolites
16:323-802.1996
10.3 12.4 35.6 14.8 2.1 18.0 6.2 9.3 13.2 12.9 0.9 0.1 6.0 1.0
2.0 5.2 3.1 5.0 2.6 10.7 2.5 0.6 4.4 1.3 3.5 2.7 3.1 3.6 0.3
0
3 0 3 4 2
1 1
32.04 32.93
2.793 2.720
2
33.00
2.714
4
1
0
33.31
2.690
4
3 2 3 2
2 1 2 2
33.33 33.85 34.36 34.56
2.689 2.648 2.610 2.595
4 4 4 4
5
1
35.36
2.539
4
0
4
2
36.20
2.482
1
5
1
36.34
2.472
-2 -2 -1 -5 -4 5 -5 5 3 -6 -3 -2 0
0 4 1 1 4 3 3 5
3 2 3 2 1 1 1 0 0
36.67 36.68 36.92 37.25 37.45 38.01 38.09 38.34 38.50
2.451 2.450 2.434 2.414 2.401 2.367 2.362 2.348 2.338
4 4 2 4 4 4 4 4 4 4 4
0 1
1 3
38.70 38.81
2.327 2.320
2 4
0.7
2 2
3 3
39.07 39.53
2.306 2.280
4 4
0.1
1
1
3
39.72
2.269
4
2 -6
4 2
2
40.40
2.233
4
1
40.99
2.202
4
0.2 1.1 0.1
-1
1
1.7
0.2 1.3 0.7 1.1 1.5 0.3 0.3 4.7 0.2 0.1 1.8 0.3 0.4 1.7 1.6 1.1 0.5 0.1
0.7 0.5 0.4
1
2 2 -2 0 6 3 -5 5 -2 4 4 -4 -7 -1 -6 -5 -2 -7
5 5 6 6 4 6 1 7 0 3 0 3
-1
5
1
1 3
1.6 0.9
1.2 0.3 0.1
0.2 0.4 1.3 1.7 0.1
0.3 1.0 0.5
0.3
RUB-3 50,
framework
Zeolites
16:323-602,
1996
573
RTH
RUB-13
COMPOSITION:
(Si30.4Bl.sOs4).1.7(1,2,2,6,6,
CRYSTAL
Cl 2/m 1 (No. a = 9.659 A cl = 90”
DATA:
REFERENCE:
h
k
1
0 0 1 0 -1 1 1 0 -1 0 2 1 0 -2 -1 0 2 -2 2 2 -1 -2 -1 1 0 2 1 -2 0 -2 0 2 0 2 3 -1 0 -2 1 1 3 3 -1 -3
2 0 1 2 1 1 3 4 3 0 0 3 4 0 1 2 2 2 0 2 3 0 5 3 4 4 5 2 6 4 0 0 6 4 1 1 2 4 1 5 1 3 3 3
0 1 0 1 1 1 0 0 1 2 0 1 1 1 2 2 0 1 1 1 2 2 1 2 2 0 1 2 0 1 3 2 1 1 0 3 3 2 3 2 1 0 3 1
574
20 8.64 9.05 10.18 12.53 12.92 14.33 15.94 17.34 17.83 18.17 18.49 18.88 19.59 19.66 19.91 20.15 20.45 21.51 21.55 23.26 23.44 24.47 24.97 25.06 25.21 25.45 25.74 26.00 26.13 26.33 27.40 27.51 27.71 27.79 28.24 28.26 28.78 30.15 30.30 30.63 30.71 30.88 30.90 31.29
Zeolites
d 10.231 9.766 8.688 7.064 6.854 6.180 5.559 5.115 4.975 4.883 4.798 4.699 4.531 4.516 4.459 4.407 4.344 4.131 4.123 3.824 3.796 3.637 3.567 3.554 3.532 3.499 3.461 3.427 3.410 3.385 3.255 3.242 3.220 3.210 3.160 3.158 3.102 2.964 2.950 2.919 2.912 2.896 2.894 2.858
16:323-802,
S. Vortmann, Microporous
AI
I rel
h
k
2 2 4 4 4 4 4 2 4 2 2 4 4 2 4 4 4 4 2 4 4 2 4 4 4 4 4 4 2 4 2 2 4 4 4 4 4 4 4 4 4 4 4 4
100.0 56.4 55.0 4.0 0.8 5.0 1.6 1.7 6.2 0.7 0.1 24.6 2.2 17.3 12.7 8.0 6.1 1.3 1.7 9.2 3.1 0.6 0.9 3.8 12.5 5.4 16.7 5.8 0.2 1.8 0.2 0.9 1.3 0.6 3.7 1.3 1.7 3.0 0.9 1.0 3.9 7.5 1.2 0.8
-2 -3 1 0 2 0 -2 2 1 -2 -1 3 1 2 -3 2 3 3 -1 -2 -2 2 -1 -1 1 -3 4 -4 1 3 3 0 0 2 4 -1 -3 0 -4 2 0 1 4 -1
0 1 7 6 6 4 2 4 3 6 7 3 7 6 3 0 1 5 5 4 6 2 7 1 5 1 0 0 7 5 3 2 6 6 2 3 3 8 0 8 4 3 4 9
1996
-pentamethylpiperidine)
12) unique axis b, cell choice 1 b = 20.461 A c = 9.831 A 13 = 96.58” y = 90”
B. Marler, H. Gies and P. Daniels, Materials 4. 11 l-121 (1995).
1 3 2 0 2 0 3 3 2 3 1 1 1 1 1 2 3 2 0 3 3 2 3 2 4 3 3 0 1 2 1 2 4 3 2 0 4 3 2 2 0 4 4 0 1
28
d
AI
I,,,
h
k
31.39 31.94 32.01 32.01 32.20 32.60 32.62 32.70 32.79 32.91 33.03 33.17 33.63 34.12 34.32 35.04 35.54 35.63 35.64 36.08 36.10 36.16 36.49 37.20 37.32 37.35 37.49 37.57 37.60 37.66 37.72 37.88 38.22 38.31 38.55 39.31 39.44 39.78 39.93 39.94 40.96 41.36 41.58 41.62
2.850 2.802 2.796 2.796 2.780 2.746 2.745 2.738 2.731 2.721 2.712 2.701 2.665 2.628 2.612 2.561 2.526 2.520 2.519 2.489 2.488 2.484 2.462 2.417 2.409 2.408 2.399 2.394 2.392 2.389 2.385 2.375 2.355 2.349 2.336 2.292 2.285 2.266 2.258 2.257 2.203 2.183 2.172 2.170
2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 2 2 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4
0.4 0.4 2.0 1.7 1.1 0.5 4.9 0.4 2.6 0.2 0.5 1.9 0.3 2.5 0.6 0.2 1.0 0.4 1.0 0.8 0.5 0.1 0.2 1.2 0.4 0.4 0.3 2.1 1.3 0.1 0.2 0.2 0.8 0.4 0.1 0.2 0.9 0.1 0.3 0.2 0.4 0.1 0.4 0.4
-4 3 3 3 1 -3 -2 1 -3 -2 4 3 -3 -4 -1 -3 4 0 1 -4 -4 0 -1 2 -5 3 5 -4 -2 4 0 -1 2 -3 -2 -2 3 -5 -5 5 -3 1
4 5 7 1 9 7 8 7 5 4 4 7 1 0 9 7 2 8 5 2 6 0 1 4 1 5 1 4 6 6 10 3 10 7 10 2 9 3 1 3 5 11
1 1 2 0 3 1 1 2 3 3 4 1 1 4 3 2 2 2 3 4 3 1 5 5 4 1 3 0 3 4 1 2 5 0 3 1 5 0 1 2 0 4 0
20
d
41.65 41.79 41.87 42.04 42.12 42.19 43.24 43.36 43.38 43.38 43.62 43.65 44.24 44.26 44.51 44.58 44.85 45.08 45.16 45.18 46.34 46.49 46.59 47.13 47.43 47.58 47.59 47.87 47.93 48.15 48.22 48.35 48.36 48.80 48.87 49.12 49.17 49.17 49.18 49.33 49.58 49.94
2.168 2.161 2.158 2.149 2.145 2.142 2.092 2.087 2.086 2.086 2.075 2.073 2.047 2.046 2.035 2.033 2.021 2.011 2.008 2.007 1.959 1.953 1.950 1.928 1.917 1.911 1.911 1.900 1.898 1.890 1.887 1.882 1.882 1.866 1.864 1.855 1.853 1.853 1.852 1.847 1.838 1.826
M 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4
Ire1 0.3 0.4 0.6 0.4 0.4 0.5 1.0 1.9 0.2 0.8 0.5 0.2 0.3 0.2 0.5 0.2 0.8 0.2 0.1 0.4 0.3 0.4 0.3 0.3 0.8 0.2 0.1 0.2 0.2 1.8 0.1 0.7 0.2 0.3 0.2 0.5 0.7 0.2 0.1 0.1 0.5 0.8
RTH
RUB-13
7
-J
Zeolites
16:323-802,
1996
575
RUT
RUB-10
COMPOSITION:
(SidhO72).4C4Hl2N
CRYSTAL
P121/a 1 (No. a = 13.112 A ck!= 90”
DATA:
REFERENCE:
hkl 0 1 0 -1 -2 0 1 2 0 0 -1 -2 0 1 2 -2 -1 2 0 1 -3 -2 1 0 -2 -1 -3 -1 3 0 2 1 -2 -1 2 -3 0 -3 -2 3 2 -2 0 -4 -4
576
0 1 1 1 0 2 1 0 0 2 1 0 1 2 0 2 2 2 2 1 1 2 3 3 0 3 1 1 1 0 2 3 3 3 0 2 3 1 2 2 1 3 2 0 0
1 0 1 1 1 0 1 0 2 1 2 2 2 1 1 1 2 0 2 2 1 2 0 1 3 1 2 3 0 3 1 1 1 2 2 2 2 3 3 0 2 2 3 2 1
Zeolites
SiO, framework
H. Gies and J. Rim, Z. Kristallogr. 210. 475-480 (1995).
28
d
M
I rel
7.77 10.06 10.37 10.77 13.64 13.73 14.41 14.73 15.58 15.79 15.89 16.64 17.03 18.72 19.25 19.40 19.89 20.19 20.82 20.92 21.49 21.64 21.95 22.09 22.17 22.29 22.52 22.66 23.24 23.46 23.72 24.30 24.83 25.22 25.49 25.54 25.97 26.03 26.17 26.17 26.42 26.64 27.28 27.48 27.50
11.378 8.797 8.534 8.215 6.491 6.451 6.146 6.012 5.689 5.612 5.576 5.326 5.205 4.741 4.610 4.576 4.464 4.398 4.267 4.246 4.135 4.108 4.050 4.023 4.009 3.988 3.947 3.924 3.828 3.793 3.751 3.663 3.585 3.531 3.495 3.488 3.431 3.424 3.405 3.405 3.373 3.346 3.269 3.246 3.243
2 4 4 4 2 2 4 2 2 4 4 2 4 4 2 4 4 4 4 4 4 4 4 4 2 4 4 4 4 2 4 4 4 4 2 4 4 4 4 4 4 4 4 2 2
0.4 29.5 0.6 100.0 22.7 25.1 62.1 0.9 4.3 0.9 8.9 6.7 0.4 0.4 0.8 0.5 0.8 13.2 11.0 0.2 1.6 2.2 9.1 0.1 12.8 21.1 7.9 21.6 22.1 4.4 0.4 2.1 0.1 1.3 10.5 0.5 0.4 0.8 2.8 0.2 0.3 0.8 0.7 4.5 0.9
16:323-602,
14) unique axis b, cell choice 3 b = 12.903 A c = 12.407 A p = 113.50” y = 90”
1996
hkl 0 -4 1 1 0 -2 2 -3 4 -3 -1 -1 -4 3 4 1 -4 -3 0 2 0 -2 -1 -2 2 -3 -4 2 2 -3 -4 3 4 1 0 1 -3 -4 -4 -5 3 2 -5 -2 1
4 1 4 3 4 0 2 3 0 3 3 1 1 3 1 2 2 1 0 4 4 2 2 4 0 3 2 3 1 2 0 3 0 4 2 3 4 3 3 1 2 2 1 4 1
0 2 0 2 1 4 2 1 0 2 3 4 3 0 0 3 1 4 4 0 2 4 4 2 3 3 3 2 3 4 4 1 1 2 4 3 1 2 1 2 2 3 1 3 4
28
d
M
27.65 28.35 28.65 28.72 28.77 28.88 29.06 29.15 29.72 29.93 30.04 30.07 30.48 30.48 30.53 30.70 30.86 31.23 31.45 31.47 31.89 32.10 32.43 32.45 32.55 32.70 32.81 33.03 33.30 33.52 33.65 33.72 33.74 34.21 34.46 34.50 34.57 34.62 34.64 34.92 35.00 35.48 35.63 35.72 35.90
3.226 3.148 3.116 3.108 3.103 3.092 3.073 3.064 3.006 2.985 2.975 2.972 2.933 2.932 2.928 2.912 2.898 2.864 2.845 2.842 2.806 2.788 2.761 2.759 2.751 2.738 2.729 2.712 2.690 2.673 2.663 2.658 2.657 2.621 2.603 2.599 2.594 2.591 2.590 2.569 2.564 2.530 2.520 2.513 2.501
2 4 4 4 4 2 4 4 2 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 2 4 4 4 4 4 2 4 2 4 4 4 4 4 4 4 4 4 4 4 4
I rel 11.9 0.3 0.2 0.5 0.1 1.0 5.9 0.7 1.8 2.7 3.7 0.6 0.2 3.9 0.1 0.1 4.2 4.6 4.4 5.5 2.5 0.4 0.3 3.0 1.7 1.3 4.7 0.2 0.3 0.1 0.3 0.8 5.7 0.1 1.1 0.5 0.1 0.3 0.2 0.2 0.2 0.1 0.1 0.2 0.3
h, k -5 -2 0 4 -5 -3 1 -2 -3 -1 -1 2 5 -5 0 -2 -5 -2 -4 -4 -4 -3 0 4 2 -5 1 -2 -3 -5 4 3 -3 -5 -6 -4 -2 5 -6 0 0 -6 0 -6 2
1 0 4 2 2 3 5 5 1 5 1 4 1 2 5 5 1 2 0 4 4 2 0 1 0 3 5 4 5 3 4 2 5 3 0 2 5 1 1 6 2 1 4 0 2
1
20
d
M
Ire,
3 5 3 1 2 4 1 1 5 2 5 2 0 3 2 2 4 5 5 2 1 5 5 2 4 2 2 4 1 1 0 3 2 3 2 5 3 1 2 0 5 3 4 1 4
36.04 36.21 36.57 36.58 37.01 37.06 37.14 37.50 37.51 37.77 37.84 37.96 38.06 38.07 38.30 38.77 38.83 38.89 38.97 39.38 39.40 39.48 39.60 39.72 40.11 40.29 40.30 40.41 40.61 40.91 41.04 41.19 41.20 41.28 41.37 41.50 41.62 41.97 41.98 42.01 42.11 42.35 42.36 42.57 42.59
2.492 2.481 2.457 2.456 2.429 2.426 2.421 2.398 2.398 2.381 2.378 2.370 2.364 2.363 2.350 2.322 2.319 2.316 2.311 2.288 2.287 2.283 2.276 2.269 2.248 2.238 2.238 2.232 2.221 2.206 2.199 2.191 2.191 2.187 2.182 2.176 2.170 2.153 2.152 2.151 2.146 2.134 2.133 2.124 2.123
4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 2 4 2 4 4 4 4 4 4 4 4 4 2 4 4 4 4 2 4 4 4 2 4
0.6 1.5 1.8 0.2 0.4 0.5 2.2 0.1 0.4 0.4 0.7 0.3 0.5 0.1 0.1 0.2 2.6 1.9 0.8 0.9 3.9 0.3 0.3 0.4 0.4 0.3 0.4 0.7 0.3 0.3 0.5 0.2 0.8 0.4 0.1 0.4 0.1 0.2 0.2 1.7 0.2 0.1 0.7 0.5 0.1
RUT
RUB-10 SiO, framework
rJ
-3
Zeolites
16:323-802,
1996
577
SGT
1-aminoadamantane
COMPOSITION:
(Sis40128).4C10H17N
CRYSTAL
I4
DATA:
1/ amd (No. 141) origin at centre (2/m)
a = 10.2387 I! cl = 90”
REFERENCE:
hk 10 00 10 11
10 20 20 211 11 10 20 00 213 20 215 22 10 30 21 22 20 30 312 1 1 30 314 1 0 219
578
1 1 4 3 2 5
0 2 6 7
4 8 6 0 9 1 7 4 8 3 10 5 11
Zeolites
d
26, 9.01 10.29 11.59 13.27 15.52 17.32 18.08 19.56 19.76 20.05 20.19 20.67 20.89 23.30 23.34 24.59 24.88 26.24 26.61 26.72 27.09 27.26 28.04 28.74 29.21 29.48 29.89 30.47
9.813 8.596 7.635 6.672 5.709 5.119 4.906 4.539 4.493 4.429 4.398 4.298 4.252 3.818 3.811 3.620 3.579 3.396 3.349 3.336 3.292 3.271 3.182 3.106 3.057 3.030 2.989 2.933
16:323-802,
sigma-2
b = 10.2387 A p = 90”
c = 34.3829 A y = 90”
L. B. McCusker, J. Appl. Cry&. 21: 305--310 (1988).
&I 8 2 8 8 8 4 8 16 8 8 8 2 16 8 16 4 8 8 16 8 8 8 16 8 8 16 8 16
1996
IreI 75.0 15.8 7.5 5.3 3.7 1.2 1.9 99.1 100.0 1.4 35.8 10.2 8.1 1.2 12.1 5.2 2.8 20.2 0.2 46.7 25.1 5.9 1.3 1.2 10.4 2.2 15.3 0.6
h, 0 2 321 3 30 22 32 32 318 2 1 40 30 40 2 411 32 413 33 40 1 2 42 32 42 2 33 417
k
1
0 0
12 10
1
6 7 8 3 5
1 0
0
11 13 0 9 2 12 7
1 1
2
2 6 14 13 0 9 2 12 6
20 31.22 31.34 31.61 31.74 31.93 32.33 32.48 34.16 34.69 34.75 35.04 35.06 35.26 35.46 35.92 36.27 36.55 37.04 37.64 38.52 38.72 39.34 39.35 39.54 39.72 40.14 40.56 40.71
d 2.865 2.854 2.830 2.819 2.803 2.769 2.756 2.625 2.586 2.582 2.561 2.560 2.545 2.532 2.500 2.477 2.458 2.427 2.390 2.337 2.326 2.290 2.289 2.279 2.269 2.247 2.224 2.216
AJ 2 8 16 16 8 8 16 16 16 16 8 4 8 8 8 16 16 16 8 8 8 16 8 16 16 8 8 16
Irrl
hk
3.6 2.8 5.3 5.9 4.0 0.5 8.8 11.6 6.0 3.8 1.0 5.4 0.4 0.5 8.9 0.3 0.3 0.3 1.5 0.9 0.1 1.0 2.5 0.7 1.2 3.0 0.8 5.3
2 0 3 42 4 2 43 50 42 43 50 512 1 2 3 43 50 3 4 4 3 52 51 43 1 52
0 0 1 0 1
0 0 3
1 1 2 0
1
I
28
d
h4
Irel
14 16 12 6 10 15 1 1 8 3 3
40.75 42.05 42.11 42.52 44.11 44.18 44.31 44.31 44.85 ‘44.97 44.97 45.48 45.73 45.79 45.94 46.26 46.26 46.40 46.72 47.72 47.80 47.92 48.01 48.14 49.34 49.75
2.214 2.149 2.146 2.126 2.053 2.050 2.044 2.044 2.021 2.016 2.016 1.994 1.984 1.981 1.975 1.963 1.963 1.957 1.944 1.906 1.903 1.898 1.895 1.890 1.847 1.832
8 2 16 16 8 16 16 8 16 16 8 16 8 8 8 16 8 16 16 16 8 16 16 16 8 16
0.2 0.5 0.6 3.3 1.3 0.2 0.6 0.6 0.8 6.9 1.0 2.7 3.4 2.0 1.4 1.2 0.7 2.5 1.3 0.4 0.9 1.4 6.7 1.1 2.2 0.5
17 16 10 5 5 14 11 10 15 1 6 7 18 5
1-aminoadamantane
SGT
sigma-2
Zeolites
16:323-802,
1996
579
SOD
Sodalite
COMPOSITION:
Nas(SisAls024).8HzO
CRYSTAL
Pa3n (No. 218) a = 8.848 A b = 8.848 A
DATA:
REFERENCE:
k
1
29
d
M
Irei
1 2 2 2 2
1 0 1 1 2
0 0 0 1 0
14.16 20.07 22.47 24.65 28.53
6.257 4.424 3.957 3.612 3.128
12 6 24 24 12
61.8 15.1 3.6 100.0 19.6
16:323-802.
A
J. Felsche, S. Luger and Ch. Baerlocher, Zeolites 6, 367-372 (1986).
h
Zeolites
c = 8.848 y = 90”
p = 90”
cl = 90”
580
octahydrate
1996
h k
1
28
d
A4
Ire1
h k
1
20
d
M
IreI
3 2 3 4 3
0 2 1 0 0
31.99 35.13 38.05 40.79 43.39
2.798 2.554 2.365 2.212 2.086
24 8 48 6 12
94.6 75.7 13.9 2.7 15.8
4 4 4 3
1 0 1 2
43.39 45.86 47.06 48.24
2.086 1.978 1.931 1.886
24 24 48 24
19.6 4.9 0.1 7.5
1 2 2 0 3
1 2 2 3
Sodalite
SOD
octahydrate
Zeolites
l&323-802,
1996
581
SOD
Bicchulite
COMPOSITION:
Cas(SidAlsOgq).8H2O Synthetic material.
CRYSTAL
IT3m (No. 217) a = 8.825 A b = 8.825 A cy = 90” /3 = 90”
DATA:
REFERENCE:
hkl 1 2 2 2
582
1 0 1 2
0 0 1 0
Zeolites
28 14.19 20.12 24.71 28.61
d 6.240 4.412 3.603 3.120
16:323-802,
K. Sahl, Z. Kristallogr.
Au 12 6 24 12
1996
IreI 0.1 3.3 82.5 7.2
hkl 3 2 3 4
1 2 2 0
0 2 1 0
c = 8.825 A y = 90”
152, 13-21 (1980).
26’
d
32.07 35.23 38.16 40.90
2.791 2.548 2.359 2.206
AI 24 8 48 6
Ird 100.0 27.7 24.3 14.3
hkl 3 4 4 3
3 1 2 3
0 1 0 2
28
d
43.51 43.51 45.99 48.38
2.080 2.080 1.973 1.882
AJ 12 24 24 24
Ire1 18.3 24.7 5.2 3.2
SOD
Bicchulite
Zeolites
16:323-802,
1996
583
SOD
Tugtupite
COMPOSITION:
Nas(SigAlzBezO24)Cln Ilimaussaq, South Greenland.
CRYSTAL
13 (No. 82) a = 8.640 A ci = 90”
DATA:
REFERENCE:
hlcl 1 1 0 2 1 1 2 2 2
1 0 2
0
0
1 2 1
0
2 1 1 2
14.31 14.50 20.01 20.56 24.80 25.14 25.14 28.85
2
0
29.24
1
0
3 1
0 3
3 1
31.98 32.69 32.78
584
0
IreI
h k
1
6.190 6.109 4.436 4.320 3.590 3.543 3.543
8 4 2 4 8 8 8
66.0
3 2
12.1 3.2
2
1
0 2 3 3 2 2
32.78
9.6
3.095
8
3 2
1 1
38.93 38.93
3.055 2.798 2.739 2.732
4
0 0
4
1
4 3
40.67 41.82 43.40 43.88
d
Zeolites
16:323-802.
8
1
59.5
1
100.0 86.2 1.2 3.1 8.2
3 2 3
8.9
8 4
0.3
1996
0 4 1 3
c = 8.873 A y = 90”
and H. D. Grundy, Mineralogist 29, 385-390
A4
20 0 1 0
I. Hassan Canadian
b = 8.640 A p = 90”
1 2 2 1 3
0
0
20 35.69 38.32 38.32 38.70 38.70
d 2.732 2.516
2.349 2.349 2.326 2.326 2.313 2.313 2.218 2.160 2.085 2.063
(1991).
M
Ire1
4
5.9 33.8 5.6 13.7
8 8 8
8 8 8
8 2 4 8 8
5.9 5.2 11.4 5.4
1.0 1.7 16.7 22.6
hkl 1 4 4 3 2 4 2 4 2 3 3
1 3
20 1 1
44.42 44.42
0
44.49
0 0
4 2
4 2 3 2 3
0 0
45.99 46.78 47.03 47.03
3 3 2
48.92 48.92 49.23
d
fir
Ire1
2.039 2.039 2.036 1.973 1.942 1.932
8 8 4 8 8 4 4
12.5 11.2 14.0 1.8 8.3 1.3 1.3 1.5 7.1 1.2
1.932 1.862 1.862 1.851
8 8 8
SOD
Tugtupite
Zeolites
16:323-802,
1996
565
STI
Stilbite
COMPOSITION:
(Nal.asCa4.lsMgo.ls)(si~~.~~~lo.3~~2).3~.~~2~ Iceland.
CRYSTAL
Cl 2/m 1 (No. a = 13.64 A cl = 90”
DATA:
E. Galli, Acta Cryst.
REFERENCE:
h
k
1
20
d
I rel
-1 1 0 0 -2 0 -2 -2 2 -1 1 -1 -2 2 0 0 -3 -3 -1 0 1 0 -2 -2 2 -3 -3 3 -2 2 -2 -1 1 2 -4 -1 1 -4 -4 0 -4 -3 3 0 -1
1 1 2 0 0 21 2 0 0 3 3 1 2 2 4 0 1 1 3 4 3 2 4 0 01 1 3 1 4 4 2 5 5 2 0 1 1 0 2 4 0 3 3 6 5
1 0 0 1 1
9.46 9.55 9.70 9.96 12.98 13.92 16.23 16.28 16.49 16.70 16.75 16.96 18.98 19.17 19.47 20.00 20.68 20.81 21.88 21.91 22.00 22.27 23.47 23.76 24.06 25.02 25.02 25.33 25.48 25.62 25.72 25.75 25.79 26.00 26.13 26.30 26.47 27.90 27.94 28.05 28.16 28.64 28.92 29.38 29.45
9.349 9.260 9.120 8.881 6.819 6.363 5.461 5.344 5.374 5.308 5.292 5.229 4.675 4.630 4.560 4.440 4.294 4.268 4.061 4.056 4.039 3.992 3.791 3.744 3.699 3.559 3.559 3.516 3.496 3.477 3.464 3.459 3.454 3.428 3.410 3.389 3.368 3.197 3.194 3.181 3.169 3.116 3.087 3.040 3.033
0.6 0.2
586
1 2 0 1 0 2 2 0 0 2 2 1 2 1 1 2 1 3 3 1 0 2 0 3 1 0 1 2 3 2 3 2 2 1 3 0 0 2
Zeolites
16:323-802,
100.0
2 2 4 4
1996
24.7 4.2 4.0 2.5 5.3 4.8 7.7 3.1 2.6 39.7 41.4 2.4 5.8 28.0 12.2 61.9 35.8 60.4 14.5 2.4 12.3 13.2 0.5 1.8 0.1 2.2 6.2 0.2 0.1 2.4 4.0 22.4 11.3 8.7 16.4 25.1 4.7 14.6 9.3 3.7 4.8 24.4
h, k 1 -3 -1 -4 1 0 0 2 0 -3 -3 -3 -2 3 -4 -2 -4 4 -5 -5 2 -4 -2 -4 2 4 -3 -3 3 1 3 0 -1 0 -1 -5 -5 1 -5 -5 -2 -1 2 1 -2
5 2 3 2 3 0 6 4 2 5 5 1 6 1 4 0 0 0 1 1 6 4 2 4 2 2 5 3 Fi 7 31 6 5 4 1 3 1 1 3 1 6 7 6 7 4
12) unique axis b, cell choice 1 b = 18.24 A c = 11.27 w p = 128.0” y = 90”
B27, 833-841
1 1 3 3 1 2 3 1 1 3 2 1 4 1 1 2 4 4 0 3 2 0 3 4 1 2 0 3 4 0 0 2 3 3 4 3 4 3 2 1 3 2 1 1 4
(1971).
20
d
I rel
h
k
1
29.54 29.60 29.78 29.85 29.93 30.19 31.09 31.13 31.78 31.81 31.89 32.15 32.24 32.57 32.80 32.82 32.90 33.34 33.53 33.67 33.88 34.25 34.30 34.46 34.62 34.80 34.87 35.10 35.11 35.45 35.49 35.80 35.83 36.18 36.26 36.39 36.41 36.44 36.52 36.79 38.13 38.28 38.33 38.35 38.44
3.024 3.017 3.000 2.994 2.985 2.960 2.876 2.872 2.816 2.813 2.806 2.784 2.777 2.749 2.731 2.729 2.722 2.687 2.672 2.662 2.646 2.618 2.614 2.602 2.591 2.578 2.573 2.556 2.556 2.532 2.529 2.508 2.506 2.483 2.477 2.469 2.467 2.466 2.461 2.443 2.360 2.351 2.349 2.347 2.342
28.1 10.2 10.4 5.1 14.6 5.5 2.3 0.3 4.4 0.1 6.0 1.2 26.1 2.3 0.3 1.6 19.0 2.2 0.1 0.4 0.2 0.3 0.3 1.8 9.6 3.3 9.9 5.1 8.2 2.4 2.1 4.9 0.5 4.6 0.5 3.1 3.3 2.6 4.2 9.2 3.9 2.1 1.8 2.1 0.7
2 4 -5 1 -6 -4 -4 -3 -3 -3 4 0 -3 3 -6 -4 3 -5 -5 -5 4 0 -6 5 0 -2 3 -2 2 2 -3 -1 1 3 -2 -1 -5 1 -5 2 -5 -6 -2 0 5
4 4 3 3 0 6 0 7 7 5 0 0 1 5 2 6 1 5 5 1 2 2 2 1 6 0 7 8 0 8 3 7 7 3 2 5 5 5 3 2 5 4 6 8 3
2 0 4 3 3 2 5 2 1 4 1 4 5 1 3 1 2 3 2 5 1 4 4 0 3 5 0 2 3 0 5 3 2 2 5 4 4 3 5 3 1 3 4 2 0
4 4
4 4
4
4 4 4 4
4
20 38.73 38.90 39.09 39.11 39.65 39.72 40.07 40.18 40.25 40.45 40.62 40.63 40.79 40.80 40.91 41.15 41.27 41.60 41.71 41.77 41.87 41.88 42.08 42.33 42.63 42.66 42.92 43.01 43.01 43.10 43.24 43.53 43.64 43.70 43.85 43.90 44.03 44.05 44.18 44.20 44.35 44.54 44.62 44.68 44.71
d 2.325 2.315 2.304 2.303 2.273 2.269 2.250 2.245 2.241 2.230 2.221 2.220 2.212 2.212 2.206 2.194 2.187 2.171 2.165 2.162 2.158 2.157 2.147 2.135 2.121 2.120 2.107 2.103 2.103 2.099 2.092 2.079 2.074 2.071 2.065 2.062 2.057 2.056 2.050 2.049 2.042 2.034 2.031 2.028 2.027
AJ IId 4 4 4 4 2 4 2 4 4 4 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4
0.5 3.6 0.8 2.3 3.8 0.2 1.4 0.1 1.4 2.4 1.0 2.0 1.7 1.3 1.6 0.1 1.1 0.5 1.4 0.4 0.2 2.7 0.1 0.2 5.7 1.7 0.2 4.1 0.3 0.6 0.6 1.4 0.5 0.2 4.3 2.0 1.0 2.9 6.3 1.1 2.0 2.2 1.5 1.9 7.7
STI
Stilbite
Zeolites
16:323-802.
1996
587
STI
Stellerite
COMPOSITION:
(~~7.56~go.oss~o.o2~~.~~~o.28)(~i56.04~~l5.86~~o.l2~l44)~56.~~2~
Villanova-Monteleone, CRYSTAL
DATA:
1 0 0 2 0 2 2 1 1 2 0 0 3 1 0 0 2 2 3 3 2 2 1 4 1 0 4 4 3 0 1 1 4 0 2
588
1 2 0 0 2 2 0 3 1 2 4 0 1 3 4 2 4 0 3 1 4 2 5 0 1 4 2 0 3 6 5 3 2 0 4
1 0 2 0 2 0 2 1 3 2 0 4 1 3 2 4 0 4 1 3 2 4 1 0 5 4 0 2 3 0 3 5 2 6 4
E. Galli and A. Alberti, Bull. Sot. Fr. Minhral.
26
d
M
I rel
9.51 9.71 9.90 13.02 13.88 16.27 16.38 16.74 16.97 19.08 19.49 19.88 20.80 21.90 21.90 22.17 23.51 23.84 25.01 25.17 25.56 25.79 25.79 26.21 26.25 27.98 28.01 28.08 28.79 29.41 29.48 29.75 29.78 30.01 30.97
9.304 9.111 8.931 6.800 6.378 5.449 5.410 5.297 5.225 4.652 4.555 4.466 4.271 4.058 4.058 4.010 3.785 3.733 3.560 3.538 3.485 3.454 3.454 3.400 3.395 3.189 3.185 3.177 3.101 3.037 3.030 3.003 3.000 2.977 2.887
8 2 2 2 4 4 4 8 8 8 2 2 8 8 4 4 4 4 8 8 8 8 8 2 8 4 4 4 8 2 8 8 8 2 8
2.7 100.0 36.2 0.2 1.5 6.3 14.7 7.1 3.4 80.2 2.8 3.2 35.5 90.3 31.4 12.7 1.5 21.8 0.6 0.6 7.6 1.5 0.2 16.0 15.0 3.0 21.9 24.1 11.1 5.2 45.7 22.7 11.7 3.4 0.1
Zeolites
16:323-802,
1996
Italy.
Fmmm (No. 69) a = 13.599 8, b = 18.222 A Q = 90” p = 90”
REFERENCE:
hkl
Sardinia,
hkl 0 0 3 3 2 4 5 2 2 4 4 3 3 1 0 1 0 1 5 5 2 1 2 4 1 6 4 4 3 0 3 3 6 4 0
6 2 5 1 6 0 1 6 2 4 2 5 3 7 6 5 4 1 3 1 6 7 4 4 3 0 6 0 7 0 5 1 2 6 2
2 6 1 5 0 4 1 2 6 2 4 3 5 1 4 5 6 7 1 3 4 3 6 4 7 0 0 6 1 8 5 7 0 2 8
c = 17.863 H, y = 90”
Crystallogr.
98, 11-18 (1975)
28
d
M
I rel
hkl
31.10 31.62 31.90 32.28 32.28 33.12 33.69 33.85 34.32 34.41 34.59 35.00 35.23 35.47 35.75 35.81 36.04 36.15 36.55 36.66 38.20 38.31 38.47 38.71 38.85 39.77 39.80 40.26 40.27 40.39 40.58 40.88 41.04 41.11 41.64
2.875 2.830 2.805 2.773 2.773 2.705 2.660 2.648 2.613 2.606 2.593 2.564 2.547 2.531 2.511 2.507 2.492 2.485 2.459 2.451 2.356 2.349 2.340 2.326 2.318 2.266 2.265 2.240 2.240 2.233 2.223 2.207 2.200 2.195 2.169
4 4 8 8 4 4 8 8 8 8 8 8 8 8 4 8 4 8 8 8 8 8 8 8 8 2 4 4 8 2 8 8 4 8 4
3.0 2.5 1.6 3.8 18.2 13.5 0.6 0.1 6.6 3.2 2.3 13.8 4.5 1.3 3.0 0.4 4.2 2.7 0.1 6.1 3.5 3.1 0.5 1.3 2.3 3.7 0.1 2.1 0.6 2.0 2.4 2.8 1.8 0.3 1.6
5 0 2 2 3 1 2 1 5 5 6 2 0 6 4 4 0 6 6 1 2 3 1 4 5 1 4 5 5 4 6 7 3 7 4
1 5 6 6 0 8 8 2 3 7 7 5 2 8 5 7 5 3 3 5 4 0 6 6 8 4 0 4 6 4 4 6 4 8 4 2 2 4 1 9 8 4 5 7 9 3 8 0 7 1 3 9 0 8 5 5 1 7 8 2 4 4 3 1 9 1 1 3 2 8
20
d
M
I rel
42.04 42.52 42.62 43.09 43.33 43.53 43.82 43.82 44.25 44.44 44.65 44.66 44.66 44.84 44.87 45.11 45.22 45.86 46.00 46.51 46.72 47.92 47.93 48.08 48.69 48.73 48.79 48.95 49.22 49.22 49.33 49.52 49.57 49.61 49.88
2.149 2.126 2.121 2.099 2.088 2.079 2.066 2.066 2.047 2.038 2.029 2.029 2.029 2.021 2.020 2.010 2.005 1.979 1.973 1.953 1.944 1.898 1.898 1.892 1.870 1.869 1.866 1.861 1.851 1.851 1.847 1.841 1.839 1.837 1.828
8 4 4 8 8 8 8 8 8 8 4 8 3 4 8 8 4 8 8 8 8 8 8 4 8 8 4 8 8 8 8 8 8 8 8
1.3 3.0 0.8 2.3 0.8 1.1 3.3 5.6 1.8 11.4 0.7 0.7 2.0 0.7 0.3 1.1 0.4 1.1 1.4 0.8 0.1 0.7 1.7 3.1 1.7 0.1 0.2 2.8 2.5 0.8 0.2 0.5 0.4 0.3 0.4
STI
Stellerite
Zeoiites
16:323-602,
1996
589
STI
Barrerite
COMPOSITION:
(Na~~.~K~,~Mg~.~Ca~.~)(Si~~.~Al~~.~0~~~)~51.6H~O Capo Pula, Sardinia, Italy.
CRYSTAL
Amma
DATA:
(No. 63) cab setting
a = 13.643
A
REFERENCE:
hkl 0 1 0
1 1 2
1 1
0 0 0 2 10 2 2 0 0 0 2 2
2 1 0 0 2 2 1 1 2
0 0
1 2 3 1 2
1 2 1 3
0
2 1 3 2
3 1 2 4
0
2 3 0 1 1 0 3
3 1 3 0 3 4
0
2 4 2 4
1 1 2 2 3 2 3 0 2 2 4 1 4 4 4
0
0
0 4 1 1 3 4 3 2 2 4 2 4
0 0 4
2 3 3 1 4 2
2 3 1 5 2 4
0 0 1 1 2
5 1
0
2 4 4 1 5
0
4
3 2 2
0
590
d
28
5 1
0
6.94 9.50 9.72 9.91 11.85 12.98 13.90 14.73 15.35 15.43 15.68 16.24 16.36 16.75 16.98 19.06 19.51 19.90 20.21 20.74 20.92 20.95 21.92 21.93 21.94 22.19 22.89 23.14 23.50 23.83 24.04 24.69 24.97 25.44 25.56 25.79 26.13 26.27 27.06 27.94 28.01 28.01 28.02 28.23 28.65
Zeolites
12.741 9.312 9.100 8.921 7.467 6.822 6.370 6.014 5.772 5.744 5.653 5.458 5.419 5.294 5.223 4.656 4.550 4.461 4.394 4.283 4.247 4.240 4.055 4.053 4.052 4.005 3.885 3.843 3.785 3.733 3.701 3.605 3.565 3.502 3.484 3.454 3.411 3.392 3.295 3.194 3.186 3.185 3.184 3.161 3.115
16:323-802,1996
c = 17.842 ii y = 90”
b = 18.200-A
cl = 90”
p = 90”
E. Galli and A. Alberti, Bull. Sot. Fr. MinBral. Crystallogr..
Ad
I rel
h
k
1
20
d
4 8 2 2 4 2 4 8 8 4 4 4 4 8 8 8 2 2 8 8 4 4 8 4 4 4 8 8 4 4 8 8 8 4 8 8 2 8 8 4 4 4 4 8 8
3.1 5.0
3 0 1 3 4 3 1 0 4 2 0 0 1 3 2 3 2 4 2 4 5 2 2 4 4 0 3 3 1 0 0 5 1 0 1 4 5 5 1 4 2 2 1 2 4
3 6 5 4 2 2 3 0 1 4 6 2 6 5 3 1 6 4 0 0 1 6 2 4 2 7 5 3 7 1 6 2 5 4 1 51 3 1 4 1 5 6 7 4 4
3 0 3 2 2 4 5 6 3 4 2 6 2 1 5 5 0 0 6 4 1 2 6 2 4 1 3 5 1 7 4 2 5 6 7
28.76 29.45 29.51 29.52 29.71 29.72 29.78 30.05 30.61 30.98 31.14 31.65 31.84 31.89 31.92 32.26 32.30 32.82 32.86 33.06 33.59 33.87 34.34 34.36 34.54 34.87 34.99 35.23 35.51 35.56 35.80 35.80 35.85 36.08 36.19 36.45 36.45 36.57 36.70 36.78 37.68 38.23 38.35 38.50 38.68
3.104 3.033 3.027 3.026 3.007 3.006 3.001 2.974 2.920 2.886 2.872 2.827 2.810 2.806 2.804 2.775 2.772 2.729 2.726 2.709 2.668 2.647 2.611 2.610 2.597 2.573 2.564 2.548 2.528 2.524 2.508 2.508 2.505 2.489 2.482 2.465 2.465 2.457 2.449 2.443 2.387 2.354 2.347 2.338 2.328
100.0 48.5 0.5 5.6 0.1 0.4 0.1 1.0 0.1 0.4 2.2 4.7 9.6 41.0 1.1 2.6 0.2 26.5 0.6 0.2 69.6 17.0 0.2 8.7 0.4 0.3 0.2 28.1 0.1 0.5 1.8 0.4 16.5 0.3 18.5 13.2 0.2 18.9 19.7 3.9 0.2 1.6 0.2
1 3 6 5 5 4 3 6 4
8 2 8 8 8 8 8 2 8 8
4 4 8 8 8 8 8 4 8 8 8 4 8 8 4 8 8 8 8 8 8 8 8 8 8 8
98, 331-340 (1975).
IRl
h
k
15.1 3.1 56.1 0.8 16.5 0.4 25.0 4.2 0.2 0.5 0.8 2.8 0.8 2.7 0.1 1.7 15.7 0.2 0.1 10.7 1.5 0.8 7.3 1.0 3.5 0.6 11.0 2.8 0.6 0.2 4.1 0.1 0.1 3.7 0.4 0.3 0.6 5.3 0.3 0.4 0.2 2.2 1.5 0.3 0.6
5 1 4 6 4 4 3 0 3 3 6 0 3 4 5 0 5 6 0 2 6 3 0 2 3 1 5 2 1 4 5 5 6 2 0 6 4 4 0 0 3 6 1 6 0
0 3 3 0 6 0 7 0 5 1 2 8 4 2 5 2 1 2 6 0 3 7 7 8 3 7 4 2 5 7 5 3 4 6 8 0 6 4 9 4 8 4 4 2 1
1 4 7 5 0 0 6 1 8 5 7 0 2 6 6 1 8 5 2 6 8 1 3 5 2 7 5 4 8 7 1 3 5 0 6 4 4 4 6 1 8 2 2 8 4 9
28
d
M
IreI
38.68 38.89 39.45 39.64 39.77 40.23 40.27 40.44 40.58 40.89 40.91 40.94 41.35 41.49 41.68 41.70 41.98 42.20 42.57 42.65 42.77 42.85 43.04 43.12 43.34 43.58 43.68 43.85 43.87 44.09 44.19 44.38 44.54 44.69 44.72 44.73 44.85 45.09 45.12 45.28 45.74 45.75 45.79 45.89 46.05
2.328 2.316 2.284 2.274 2.267 2.241 2.239 2.230 2.223 2.207 2.206 2.204 2.183 2.176 2.167 2.166 2.152 2.141 2.123 2.120 2.114 2.110 2.101 2.098 2.088 2.077 2.072 2.065 2.064 2.054 2.049 2.041 2.034 2.027 2.027 2.026 2.021 2.011 2.009 2.003 1.984 1.983 1.981 1.977 1.971
4 8 8 2 4 4 8 2 8 8 4 4 8 8 8 4 8 8 4 4 8 8 4 8 8 8 8 8 8 8 8 8 4 8 4 4 8 8 4 4 8 8 8 8 4
0.4 0.2 0.1 2.7 0.5 1.5 0.3 2.2 1.5 1.4 0.9 0.3 0.6 0.2 0.3 1.1 2.1 0.2 3.6 0.4 0.1 0.1 0.2 1.3 1.6 0.7 0.2 2.0 2.3 0.3 0.8 7.8 1.6 0.7 1.2 0.2 0.7 1.4 0.3 0.2 0.3 0.7 0.3 0.3 0.1
STI
Barrerite
l”“““‘l”~“““l”1”““l”“““‘l”“““‘l””””’I””””’l””””‘l’~~~““‘l’~””’~’
8
0 v)
0 r
::
Zeolites
0
16:323-802,
1996
591
THO
Thomsonite
COMPOSITION:
(Na4Ca7.5Sro.5)(SizoA12o080).24H20 Death Valley, California, U.S.A.
CRYSTAL
Pncn (No. 52) bca setting a = 13.088 A b = 13.052 A Q: = 90” p = 90”
DATA:
REFERENCE:
hkl 110 0 0 2 0 0 2 1 0 1 1 2 0 2 2 2 1 1 2 2 2 0 1 3 1 0 3 1 3 1 1 3 1 1 3 2 2 3 0 3 1 1 3 3 2 2 3 0 0 4 0 0 4 1 0 3 2 2 3 1 1 3 3 2 0 0 2 4 0 4 2 2 4 1 2 4 1 1 4 3 3
592
28 9.57 2 13.39 0 13.53 0 13.57 2 15.01 2 16.48 2 19.08 0 19.21 2 20.26 2 20.28 1 20.36 3 21.27 0 21.48 1 21.50 0 21.52 3 22.34 1 22.51 1 22.56 2 23.48 2 24.44 2 25.39 2 25.43 1 25.46 1 25.49 4 26.96 0 27.25 0 27.33 4 27.82 2 28.06 2 28.08 4 28.67 0 28.98 4 30.28 4 30.30 2 30.48 0 30.56 0 30.61 4 31.08 2 31.26 2 31.32 2 32.05
Zeolites
J. J. Pluth, J. V. Smith and A. Kvick, Zeolites 5, 74-80 (1985).
d
M
Ire1
hkl
9.242 6.615 6.544 6.526 5.903 5.379 4.652 4.621 4.382 4.378 4.363 4.178 4.138 4.133 4.129 3.980 3.949 3.941 3.788 3.642 3.508 3.502 3.498 3.494 3.307 3.272 3.263 3.206 3.180 3.178 3.114 3.081 2.952 2.950 2.933 2.925 2.920 2.878 2.861 2.856 2.793
4 2 2 2 4 8 4 4 8 8 8 4 4 4 4 8 8 8 8 4 8 8 8 8 2 2 2 4 8 8 8 4 4 4 4 4 4 8 8 8 8
3.0 76.6 4.3 1.1 45.0 52.2 69.8 97.9 11.1 28.8 0.8 0.2 2.1 0.6 39.5 0.9 1.8 0.8 0.4 0.1 54.4 74.3 0.1 0.7 0.8 3.7 1.3 32.9 2.5 34.9 4.3 8.5 39.9 21.2 6.0 4.5 22.3 1.5 36.8 54.1 3.2
2 4 2 3 1 4 5 4 1 3 5 1 3 2 4 3 5 1 4 0 4 4 1 5 2 3 3 5 3 5 0 4 2 6 4 0 1 1 2 5 3
16:323-602.
c = 13.229 A y = 90”
1996
2 2 4 1 3 1 1 3 5 3 1 5 2 3 3 4 1 5 0 4 4 1 4 2 5 3 4 3 5 1 0 2 4 0 4 6 0 1 5 3 5
4 2 2 4 4 3 0 1 0 3 1 1 4 4 2 2 2 2 4 4 0 4 4 2 2 4 3 0 0 3 6 4 4 0 2 0 6 6 3 2 2
28
d
M
I rel
hkl
33.31 33.50 33.55 34.72 34.75 34.83 34.96 34.98 35.05 35.55 35.63 35.72 36.78 36.79 36.96 36.99 37.59 37.68 38.71 38.77 38.98 39.35 39.40 39.52 39.59 40.00 40.11 40.21 40.26 40.67 40.93 41.20 41.24 41.39 41.39 41.51 41.53 42.13 42.55 42.56 42.61
2.689 2.675 2.671 2.583 2.581 2.576 2.567 2.565 2.560 2.525 2.519 2.513 2.444 2.443 2.432 2.430 2.393 2.387 2.326 2.323 2.310 2.290 2.287 2.280 2.276 2.254 2.248 2.243 2.240 2.218 2.205 2.191 2.189 2.181 2.181 2.175 2.174 2.145 2.125 2.124 2.122
8 8 8 8 8 8 4 8 4 8 8 8 8 8 8 8 8 8 4 4 4 8 8 8 8 8 8 4 4 8 2 8 8 2 8 2 4 8 8 8 8
0.6 100.0 13.2 20.2 33.0 0.1 6.9 0.1 0.8 0.1 0.1 0.1 1.0 0.5 0.2 16.4 1.2 3.4 3.7 0.2 0.3 3.6 0.4 3.2 0.7 38.5 0.2 0.7 6.7 0.1 3.5 23.8 5.4 7.6 0.8 21.9 1.5 0.3 0.2 6.8 9.6
2 0 6 6 0 2 1 5 4 3 6 1 5 1 5 2 6 2 3 5 2 5 4 3 1 3 4 3 2 6 3 5 3 7 5 0 1 5 1 0
28 0 2 0 2 6 6 2 0 3 4 1 6 1 5 3 2 2 6 0 2 5 4 5 1 3 6 4 2 3 3 6 3 5 1 5 7 7 1 5 4
6 43.30 6 43.31 2 43.69 0 43.76 2 43.81 0 43.86 6 43.89 4 44.12 4 44.15 4 44.17 2 44.27 2 44.38 4 44.69 4 44.77 3 45.36 6 45.59 2 45.96 2 46.06 6 46.13 4 46.37 4 46.44 2 46.55 2 46.58 6 46.68 6 46.70 1 47.19 4 48.03 6 48.31 6 48.32 2 48.68 2 48.76 4 49.07 4 49.12 0 49.23 0 49.30 1 49.36 0 49.37 5 49.48 5 49.55 6 49.92
d
M
I El
2.089 2.089 2.072 2.069 2.067 2.064 2.063 2.053 2.051 2.050 2.046 2.041 2.028 2.024 1.999 1.990 1.975 1.971 1.968 1.958 1.955 1.951 1.950 1.946 1.945 1.926 1.894 1.884 1.883 1.870 1.867 1.856 1.855 1.851 1.848 1.846 1.846 1.842 1.840 1.827
4 4 4 4 4 4 8 4 8 8 8 8 8 8 8 8 8 8 4 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 4 4 8 8 4
11.0 1.4 1.4 2.2 2.6 8.8 3.6 0.2 0.3 0.3 0.8 0.3 2.3 4.2 0.1 7.1 6.4 1.3 1.5 5.6 2.2 2.2 2.3 4.6 6.2 0.1 1.7 6.4 2.6 2.5 0.2 1.7 1.2 0.5 1.2 0.2 0.4 0.1 0.1 14.1
Thomsonite
Zeolites
16:323-802,
1996
593
TON
Diethylamine
theta-l
(Silica
ZSM-22)
COMPOSITION: CRYSTAL
DATA:
Cmc21 (No. 36) a = 13.859 A b = 17.420 A a = 90” p = 90”
REFERENCE:
h 1 0 2 2 1 1 3 0
k
1
1 2 0 2 3 1
8.15 0 0 10.16 0 12.77 0 16.35 0 16.55 1 19.43 0 19.88 1 20.36 0 20.39 1 24.11 0 24.14 1 24.25 0 24.62 0 25.71 0 26.38 1 26.68 1 27.06 0 27.71 1 30.03 1 30.43 0 30.80 1 31.89 0 32.18
1
2
0
4
2 2 1 3 4 1 3 0 4 2 3 0 1 3
2 4 3 3 0 5 1 4 2 4 3 6 5 5
594
Zeolites
28
B. Marler, Zeolites 7, 393-397 (1987).
d
M
I rel
hkl
10.845 8.710 6.929 5.423 5.356 4.569 4.465 4.361 4.355 3.691 3.687 3.670 3.615 3.465 3.379 3.342 3.295 3.219 2.975 2.937 2.903 2.806 2.782
4 2 2 4 4 8 4 4 2 8 4 8 4 2 4 8 4 4 8 8 2 8 4
100.0 19.1 22.3 7.3 4.6 9.0 0.3 69.6 15.6 8.7 11.5 49.5 50.0 33.5 2.6 6.1 6.6 1.4 2.7 3.2 2.6 0.9 1.5
5 4 4 2 0 0 5 1 3 0 5 4 2 2 2 1 5 6 4 1 3 3 5
16:323-802,
c = 5.038 8, y = 90”
1996
1 2 4 6 0 6 3 1 5 2 1 4 0 6 2 3 3 2 6 7 1 7 5
0 1 0 0 2 1 0 2 1 2 1 1 2 1 2 2 1 0 0 1 2 0 0
28
d
M
I rel
h k
1
20
d
M
Ire,
32.71 33.02 33.04 33.46 35.64 35.69 35.90 36.62 36.91 37.15 37.39 37.67 38.01 38.06 39.44 39.53 40.25 40.40 40.54 40.97 41.14 41.20 41.64
2.737 2.713 2.711 2.678 2.519 2.516 2.501 2.454 2.435 2.420 2.405 2.388 2.367 2.364 2.285 2.279 2.241 2.233 2.225 2.203 2.194 2.191 2.169
4 8 4 4 2 4 4 8 8 4 8 8 4 8 8 8 8 4 4 8 8 4 4
2.7 2.7 0.7 0.3 13.8 3.5 0.2 2.1 9.6 0.4 2.9 1.9 0.7 7.2 0.4 0.3 1.5 0.5 0.2 0.1 0.2 0.4 0.4
2 3 6 6 4 4 1 3 0 5 4 7 2 1 0 7 3 5 5 4 4 2 7
2 2 1 0 2 1 2 1 1 1 2 0 1 0 2 0 2 2 0 2 0 2 1
43.51 43.80 44.38 44.39 44.47 44.51 44.88 45.13 45.37 45.53 45.73 46.14 47.33 47.43 47.80 48.58 48.77 49.15 49.20 49.38 49.43 49.69 49.76
2.080 2.067 2.041 2.041 2.037 2.036 2.019 2.009 1.999 1.992 1.984 1.967 1.920 1.917 1.903 1.874 1.867 1.854 1.852 1.846 1.844 1.835 1.832
8 8 8 4 4 8 8 8 4 8 8 4 8 4 4 4 8 8 4 8 4 8 8
0.2 3.9 0.5 0.5 0.5 2.2 2.1 1.1 3.1 0.4 0.4 0.1 0.7 0.3 3.7 8.6 0.8 0.3 0.3 0.8 1.4 0.2 1.8
4 3 2 4 0 6 5 7 8 5 2 1 8 9 6 3 5 1 7 4 8 6 1
Diethylamine
theta-l
(Silica
TON
ZSM-22)
Zeolites
16:323-602,
1996
595
VET
VPI-8
COMPOSITION:
Si17034
CRYSTAL
Pq INo. 811 a =‘13.045 ‘A cx = 90”
DATA:
REFERENCE:
hkl 10 1 2 1 2 0 1 2 1 3 3 2 1 2 2 3 2 3 1 3 1 4 3 2
596
1 0 2 1 0 0 2 1 0 1 0 2 1 3 2 2 0 3 1 4 1 3 3
0 0 0 0 0 1 1 0 1 0 0 1 1 1 0 0 1 1 1 1 0 0 0 1
Zeolites
c = 5.034 A y = 90”
C. C. Freyhardt, J. E. Lewis, Jr., M. M. Helmkamp, S. Khodabandeh, M. Yoshikawa, M. A. Camblor, R. F. Lobo, M. Tsapatsis, M. Pan, S. I. Zones and M. E. Davis, Personal Communication (1996).
20
d
A4
6.78 9.59 13.58 15.19 15.19 17.62 18.90 19.24 20.09 20.42 21.54 22.31 23.34 23.34 24.60 24.60 26.20 27.10 27.96 27.96 28.20 28.20 29.04 30.42
13.045 9.224 6.523 5.834 5.834 5.034 4.696 4.612 4.419 4.348 4.125 3.985 3.811 3.811 3.618 3.618 3.401 3.291 3.191 3.191 3.164 3.164 3.075 2.938
4 4 4 4 4 2 8 4 8 4 4 8 8 8 4 4 8 8 8 8 4 4 4 8
16:323-802,
b = 13.045 A p = 90”
1996
Ild 100.0 21.2 1.3 1.7 0.2 0.1 1.7 0.2 20.7 3.4 18.6 13.8 3.8 8.2 10.8 3.4 9.4 0.9 1.9 0.4 3.9 7.5 1.0 0.8
hkl 3 4 4 1 4 3 4 1 2 4 0 1 1 2 2 3 4 5 1 5 5 2 5 6
2 2 0 4 1 3 3 5 4 2 0 0 1 5 0 4 3 0 5 1 3 2 2 0
1 0 1 1 1 1 0 0 1 1 2 2 2 0 2 1 1 1 1 1 0 2 1 0
20
d
Iv
IreI
h k
1
20
d
M
IreI
30.42 30.65 32.72 33.45 33.45 34.17 34.37 35.07 35.57 35.57 35.67 36.35 37.02 37.11 38.33 38.88 38.88 38.88 39.51 39.51 40.31 40.84 41.36 41.53
2.938 2.917 2.737 2.679 2.679 2.624 2.609 2.558 2.524 2.524 2.517 2.471 2.428 2.422 2.348 2.316 2.316 2.316 2.281 2.281 2.237 2.209 2.183 2.174
8 4 8 8 8 8 4 4 8 8 2 8 8 4 8 8 8 8 8 8 4 8 8 4
0.2 0.6 3.5 0.4 0.7 0.6 0.4 0.2 0.9 1.4 3.9 0.3 0.8 0.6 0.4 0.6 1.7 0.2 1.2 0.5 0.9 0.2 0.4 0.1
1 1 6 2 3 2 3 5 5 6 4 1 6 1 4 3 6 2 6 2 4 5 7 1
2 0 0 2 2 0 1 1 0 1 2 1 1 2 2 2 0 1 1 2 1 1 0 0
42.05 42.13 42.13 43.81 43.81 43.89 44.31 44.31 44.47 45.44 45.52 46.00 46.00 46.08 46.08 46.63 46.71 47.65 47.65 47.72 48.18 48.18 48.87 49.40
2.149 2.145 2.145 2.066 2.066 2.063 2.044 2.044 2.037 1.996 1.993 1.973 1.973 1.970 1.970 1.948 1.945 1.909 1.909 1.906 1.888 1.888 1.864 1.845
8 4 4 8 8 4 8 8 4 8 8 8 8 8 8 8 4 8 8 8 8 8 4 4
0.5 0.3 0.2 0.4 0.4 0.6 0.4 0.2 0.5 0.2 0.1 0.2 0.8 0.2 0.3 1.3 0.4 0.4 1.2 1.2 0.5 0.2 0.2 1.2
3 6 1 3 2 6 5 3 4 0 0 6 1 4 1 3 3 6 2 4 5 4 0 7
VET
VPI-8
Zeolites
16:323-602,
1996
597
VFI
VPI-5
COMPOSITION:
(A118P18072).42Hx0
CRYSTAL
Pf& (No. 173) a = 18.9752 A ck = 90”
DATA:
REFERENCE:
h k 1 1 0 0 1 1 0 2 1 2 1 2 3 1 2 2 3 4 2 0 1 3 1 2 3 112 4 2 1 2 3 2 5 1 4 3 3 2 5 13 3 1 5 3
598
0 2 1 1 0 0 2 1 2 0 0 2 0 3 1 0 3 2
0 0 0 1 1 0 1 1 0 1 0 1 2 1 1 2 0 0
0 0 4 3 2 1 0 4 1 0 3 2 0
1 2 0 1 1 2 0 1 1 2 0 2 1 2 2 0 0 1
1 5 1 3
26' 5.38 9.32 10.77 14.26 14.26 14.37 15.36 16.18 17.99 17.99 18.70 19.56 21.63 21.71 21.93 22.38 22.38 22.60 23.60 23.60 23.88 24.29 24.49 24.83 26.07 26.07 26.26 27.13 27.19 27.19 27.38 28.22 28.98 29.32 29.50 29.50 30.28 30.28 30.34
Zeolites
d 16.433 9.488 8.216 6.211 6.211 6.162 5.770 5.478 4.930 4.930 4.744 4.538 4.108 4.094 4.052 3.973 3.973 3.934 3.770 3.770 3.726 3.664 3.634 3.586 3.418 3.418 3.394 3.287 3.279 3.279 3.258 3.162 3.081 3.046 3.028 3.028 2.952 2.952 2.946
16:323-802,
b = 18.9752 A /cl = 90”
L. B. McCusker, Ch. Baerlocher, Zeolites 11, 308-313 (1991).
M
I rel
6 6 6 6 6 12 12 6 12 12 6 12 6 12 2 12 12 12 6 6 12 12 12 6 12 12 12 6 12 12 12 6 12 12 12 12 6 6 12
100.0 0.7 11.9 0.4 0.5 4.2 0.2 1.1 0.4 0.3 5.2 0.6 1.2 7.4 8.7 1.5 3.1 10.4 2.0 4.5 0.2 0.2 1.5 2.2 0.4 0.5 0.2 0.2 6.6 3.7 1.1 2.4 4.9 0.3 1.0 1.0 2.8 1.9 0.7
1996
h
k
1
20
2 4 4 1 5 2 3 6 1 4 1 5 113 2 3 5 1 6 2 5 3 1 4 3 1 5 2 1 3 6 4 6 4 3 7 4 2 5 2
4 2 0 5 1 3 2 0 4 1 0 2
1 1 2 1 1 2 2 0 2 2 3 0
0 4 0 6 10 5 2 3 2 2 0 5 1 2 3 1 2 4 0 0 5 0 3 5 2 3
3 1 2 0
30.83 30.83 31.00 32.28 32.28 32.44 32.41 32.70 33.36 33.36 33.62 34.07 34.52 34.96 35.01 35.16 35.83 35.83 35.88 35.88 36.02 36.26 36.45 37.11 37.70 37.70 38.34 38.75 38.75 39.54 39.59 39.72 39.94 39.98 39.98 40.11 40.89 40.89 41.10
1 1 2 3 2 3 2 2 3 3 3 0 1 2 3 1 1 2 2 2 3
d 2.900 2.900 2.885 2.773 2.773 2.760 2.760 2.739 2.685 2.685 2.666 2.631 2.598 2.566 2.563 2.553 2.506 2.506 2.503 2.503 2.493 2.477 2.465 2.423 2.386 2.386 2.348 2.324 2.324 2.279 2.276 2.269 2.257 2.255 2.255 2.248 2.207 2.207 2.196
c = 8.1044 A y = 120° E. Jahn and M. Billow.
Ad
IreI
h
k
1
20
d
Af
IreI
12 12 12 12 12 12 12 6 12 12 12 6 12 12 12 12 6 6 12 12 12 12 12 12 12 12 12 12 12 6 12 12 12 12 12 12 12 12 12
0.3 1.3 1.5 0.3 0.3 0.5 0.7 4.6 0.3 0.2 0.1 1.3 0.2 0.1 0.1 0.2 0.2 0.1 0.7 0.2 0.6 0.1 0.2 0.1 0.2 0.3 1.8 0.4 0.2 0.5 0.1 0.3 0.1 0.1 0.1 0.2 0.2 0.2 0.1
3 2 6 1 4 7 3 3 2 4 4 5 7 0 1 3 5 2 2 2 7 2 1 7 4 3 2 1 8 2 13 3 3 5 4 6 8
2 6 2 4 1 1 3 4 4 2 5 4 0 0 0 6 1 6 0 7 2 1 7 1 3 0 5 8 1 2
3 1 1 3 3 1 3 2 3 3 1 1 2 4 4 1 3 2 4 1 1 4 2 2 3 ‘I 3 1 1 4 4 4 0 1 1 1 2
41.10 41.15 41.15 41.87 41.87 43.03 44.09 44.25 44.45 44.45 44.49 44.49 44.61 44.73 45.08 45.20 45.52 45.67 46.14 46.61 46.61 47.18 47.41 47.41 47.60 47.87 48.28 48.65 48.65 48.88 49.21 49.21 49.29 49.32 49.65 49.65 49.76
2.196 2.194 2.194 2.158 2.158 2.102 2.054 2.047 2.038 2.038 2.036 2.036 2.031 2.026 2.011 2.006 1.993 1.986 1.967 1.949 1.949 1.926 1.918 1.918 1.910 1.900 1.885 1.871 1.871 1.863 1.851 1.851 1.849 1.848 1.836 1.836 1.832
12 12 12 12 12 12 12 12 12 12 12 12 12 2 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 6 12 12 12 12
0.3 0.3 0.2 0.2 0.2 0.1 0.2 0.2 0.2 0.2 0.1 0.1 0.4 0.7 0.4 0.1 0.1 0.1 0.1 0.3 0.3 0.2 0.4 0.3 0.1 0.1 0.1 0.4 0.6 0.5 0.4 0.3 0.2 0.4 0.8 0.6 0.2
1 7 5 6 4 0
VFI
VPI-5
Zeolites
16:323-602,
1996
599
VNI
VPI-9
COMPOSITION:
(Rb44K4)(Si96Zn240254)
CRYSTAL
P41212 (No. 92) b = 9.8837 A a = 9.8837 A p = 90” CY= 90”
DATA:
REFERENCE:
h 00 10 10 00 10 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 2 2 1 2 2 1 2 2 1 1 0 2 2 2 2 1 1 2 2 2 2 2
k
1
20
0 0 0 0 1 1 1 0 1 1 0 0 1 1 1 1 0 1 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 1 0 1 0 1 1 1
4 1 2 8 3 4 5 6 7 0 1 2 8 4 5 9 12 6 7 8 9 12 10 0 1 13 2 3 11 4 5 14 12 16 6 7 0 1 13 15 2 8 3 4 5
4.80 9.03 9.26 9.61 9.65 10.16 10.78 11.49 12.29 12.67 12.72 12.89 13.14 13.55 14.03 14.05 14.43 14.58 15.22 15.92 16.68 17.00 17.49 17.95 17.99 18.05 18.11 18.31 18.35 18.59 18.94 19.11 19.25 19.28 19.36 19.85 20.09 20.12 20.18 20.19 20.23 20.40 20.41 20.67 20.98
600
Zeolites
d 18.413 9.796 9.546 9.206 9.169 8.708 8.207 7.698 7.204 6.989 6.958 6.866 6.737 6.534 6.314 6.303 6.137 6.073 5.822 5.567 5.315 5.214 5.070 4.942 4.931 4.915 4.898 4.845 4.835 4.773 4.685 4.644 4.612 4.603 4.584 4.473 4.420 4.412 4.401 4.397 4.389 4.354 4.350 4.298 4.234
16:323-802,
L. B. McCusker, private communication
M
Ire1
hk
2 8 8 2 8 8 8 8 8 4 8 8 8 8 8 8 2 8 8 8 8 8 8 4 8 8 8 8 8 8 8 8 8 2 8 8 8 16 8 8 16 8 16 16 16
21.4 1.5 2.6 6.7 3.3 34.7 4.9 0.1 4.9 14.2 0.3 25.1 13.9 0.4 1.1 0.1 22.2 20.3 0.9 7.7 1.2 0.9 23.5 5.6 0.8 1.4 0.4 2.2 0.4 29.3 0.2 1.3 9.4 1.2 0.1 1.6 0.7 4.7 1.3 2.4 5.1 42.1 2.8 26.6 7.0
20 1 1 21 217 1 2 2 1 219 2 1 1 2 2 0 1 1 2 1 22 22 2 2 22 22 1 22 22 1 2 2 22 22 1 30 2 30 22 30 1 2 30 30 22
1996
1 1 0
9 14 16 6
1 1 0 0
15 8 11 17
0 1 0 0 1 0 1 0 1 1
12 16 18 13 11 20 17 19 12 18 0 1 13 15 2 3 20 4 5 19 14 16 6 7 21 1 15 2 8 3 20 17 4 5 9
1 0
0
1 1 0
0 1
1 0
c = 73.6505 fi y = 90”
(1995).
28
d
21.00 21.14 21.29 21.37 21.81 22.12 22.31 22.36 22.41 22.87 23.11 23.14 23.53 23.89 24.13 24.17 24.17 24.67 24.82 25.22 25.49 25.52 25.56 25.57 25.61 25.75 25.82 25.95 26.21 26.29 26.33 26.46 26.52 26.88 26.98 27.09 27.14 27.17 27.30 27.31 27.37 27.38 27.50 27.75 27.76
4.230 4.203 4.173 4.159 4.075 4.018 3.985 3.976 3.968 3.889 3.849 3.844 3.780 3.724 3.689 3.682 3.682 3.609 3..587 3.531 3.494 3.491 3.485 3.483 3.479 3.460 3.451 3.433 3.400 3.390 3.384 3.368 3.361 3.316 3.305 3.291 3.285 3.282 3.267 3.265 3.258 3.258 3.243 3.215 3.214
A4
Ire1
hlc
8 8 8 16 16 8 16 8 8 16 8 8 8 8 16 2 8 8 16 8 4 8 16 8 8 8 8 8 8 8 16 8 8 8 8 8 16 8 8 8 8 8 8 8 8
0.1 2.5 2.4 1.9 6.0 1.1 1.2 1.3 5.8 2.3 23.2 6.1 3.1 0.4 1.8 1.6 0.7 1.9 4.3 0.7 75.0 4.0 1.0 3.7 50.9 0.6 17.3 0.3 0.5 0.6 66.4 33.8 10.6 3.6 1.3 0.4 0.9 0.2 8.9 1.7 1.6 0.7 1.6 1.0 1.8
2 30 1 2 30 1 310 31 312 30 313 2 314 0 315 30 2 1 2 31 1 3 2 31 2 31 3 2 1 319 2 1 2 3 3 2 2 3 2 1 3 3 2 2 2
1 1 0 2 1
16 6 22 10 7 21 1 8
1
17
0
24
0 0 0
9 19 23 12 6 2‘2 10 18 7 13 8 11 20 24
1 1 2 0 1 0 2 1 1 0 0 1 2 0 1
19 23 14 12 10 21 15 11 20 25 14 12 16 22 21
0 0 2 1 0 1 2
20
d
M
Id
27.99 28.04 28.14 28.27 28.39 28.47 28.56 28.58 28.66 28.78 28.79 28.86 28.98 29.10 29.21 29.22 29.28 29.32 29.41 29.49 29.59 29.71 29.75 29.82 30.05 30.20 30.23 30.27 30.50 30.62 30.68 30.71 30.72 30.80 31.08 31.27 31.42 31.59 31.62 31.69 32.05 32.14 32.16 32.30 32.59
3.188 3.182 3.171 3.157 3.144 3.135 3.126 3.123 3.114 3.102 3.100 3.094 3.081 3.069 3.057 3.056 3.050 3.046 3.037 3.029 3.019 3.007 3.003 2.996 2.974 2.960 2.956 2.953 2.931 2.920 2.914 2.911 2.911 2.903 2.877 2.860 2.847 2.832 2.829 2.823 2.792 2.785 2.783 2.772 2.747
16 8 8 8 8 8 8 16 16 8 16 16 16 2 16 8 8 8 8 16 8 8 16 16 8 16 8 8 8 16 16 8 8 8 16 8 8 16 16 8 8 16 8 8 16
1.8 1.8 3.5 100.0 1.2 3.7 37.9 3.1 55.3 64.5 0.1 1.8 89.8 96.8 6.4 3.9 0.2 0.2 29.8 2.2 46.0 0.5 10.1 2.2 0.2 3.6 0.8 53.2 0.6 1.3 0.6 3.7 2.1 0.2 5.6 3.9 0.6 2.7 0.7 0.3 0.2 18.2 1.5 0.5 0.1
VNI
VPI-9
Zeolites
16:323-602,
1996
601
VW
WI-7
COMPOSITION:
Nasa(Si56Zn160144).4OH20
CRYSTAL
Fdd2 (No. 43) a = 39.88 A
b = 10.326 A
cl = 90”
p = 90”
DATA:
REFERENCE:
C. Rghrig, H. Gies and B. Marler, Zeolites 14, 498-503 (1994).
h
k
1
28
d
IIf
I t-t?1
4 1 3 5 2 8 2 4 7 6 9 0 8 2 4 12 1 11 1 6 3 10 10 3 5 5 8 7 13 7 12 10
0 1 1 1 2 0 0 2 1 0 1 2 2 2 2 0 3 1 1 2 3 2 0 1 3 1 2 3 1 1 2 2
0 1 1 1 0 0 2 0 1 2 1 2 0 2 2 0 1 1 3 2 1 0 2 3 1 3 2 1 1 3 0 2
8.87 12.39 13.89 16.51 17.75 17.79 17.92 19.36 19.80 21.94 23.52 24.51 24.83 24.92 26.11 26.83 27.43 27.50 27.67 28.00 28.17 28.28 28.39 28.39 29.59 29.80 30.45 31.61 31.66 31.81 32.03 33.37
9.970 7.146 6.374 5.370 4.998 4.985 4.950 4.585 4.483 4.051 3.783 3.632 3.586 3.573 3.412 3.323 3.251 3.244 3.224 3.187 3.168 3.156 3.144 3.143 3.019 2.998 2.935 2.831 2.826 2.813 2.795 2.685
2 8 8 8
9.1 1.8 100.0 30.4 4.0 17.3 22.4 9.1 5.9 0.8 2.3 0.4 0.3 3.2 11.8 15.3 50.8 22.6 14.5 36.8 14.1 6.9 8.7 30.8 3.9 26.3 17.8 7.2 24.1 0.9 3.6 1.0
602
Zeolites
16:323-802,
c = 10.219 A y = 90”
2
4 8 8 2 8 8 8 8 8 4 4 8 8 8 8 8 8 8
8
1996
hkl 9 9 0 2 0 4 15 16 14 4 12 11 1 11 6 3 5 8 2 8 4 16 14 13 17 4 7 13 6 10 6 9
3 1 4 4 0 4 1 0 0 0 2 3 3 1 4 3 3 4 4 0 4 2 2 3 1 2 3 1 4 4 2 3
1 3 0 0 4 0 1 0 2 4 2 1 3 3 0 3 3 0 2 4 2 0 2 1 1 4 3 3 2 0 4 3
26’
d
34.13 34.32 34.75 35.05 35.13 35.93 35.97 36.03 36.10 36.30 36.65 37.07 37.20 37.25 37.37 37.77 38.87 39.30 39.36 39.64 40.17 40.17 40.23 40.36 40.40 40.42 40.48 40.53 41.48 41.68 41.72 42.55
2.627 2.613 2.581 2.560 2.555 2.499 2.497 2.493 2.488 2.475 2.452 2.425 2.417 2.414 2.406 2.382 2.317 2.292 2.289 2.274 2.245 2.245 2.241 2.235 2.232 2.232 2.228 2.226 2.177 2.167 2.165 2.125
IL1 I rel 8 8 2 4 2 4 8 2 4 4 8 8 8 8 4 8 8 4 8 4 8 4 8 8 8 8 8 8 8 4 8 8
1.2 0.3 2.2 6.5 5.2 0.3 10.1 1.5 9.1 0.5 6.3 6.7 4.4 7.9 1.1 12.6 1.1 1.9 2.6 5.1 0.6 0.9 8.7 3.4 1.9 3.3 0.2 1.5 1.4 0.5 0.4 1.1
hkl 8 8 15 16 15 12 18 18 12 1 19 11 1 3 10 20 10 3 5 5 14 7 17 13 17 12 7 12 20 9 21 9
28 4 2 3 2 1 4 2 0 0 5 1 3 1 5 4 0 2 1 5 1 4 5 3 3 1 4 1 2 2 5 1 1
2 4 1 2 3 0 0 2 4 1 1 3 5 1 2 0 4 5 1 5 0 1 1 3 3 2 5 4 0 1 1 5
43.26 43.49 43.93 44.06 44.09 44.44 44.50 44.57 44.74 44.83 44.9.5 45.02 45.29 45.31 45.46 45.49 45.69 45.77 46.27 46.72 47.53 47.68 47.75 47.86 47.90 48.05 48.11 48.26 48.97 49.50 49.62 49.93
d 2.091 2.081 2.061 2.055 2.054 2.039 2.036 2.033 2.025 2.022 2.016 2.013 2.002 2.001 1.995 1.994 1.986 1.982 1.962 1.944 1.913 1.907 1.904 1.900 1.899 1.893 1.891 1.886 1.860 1.841 1.837 1.827
Al 8 8 8 8 8 4 4 4 4 8 8 8 8 8 8 2 8 8 8 8 4 8 8 8 8 8 8 8 4 8 8 8
Ire1 0.7 0.8 0.4 1.3 0.6 1.6 1.8 6.3 3.8 2.2 0.6 0.3 1.2 1.2 3.0 0.1 2.6 4.3 3.5 0.1 1.5 3.1 0.4 1.7 0.1 0.6 1.8 1.6 0.8 1.5 3.3 2.3
VW
WI-7
-$
/
Zeolites
l&323-802,
1996
603
WEI
Weinebeneite
COMPOSITION:
CRYSTAL
Ca4Belz(OH)s(P04)8.16HzO Weinebene Pass. Koralpe,
DATA:
REFERENCE:
hkl 1 -1 2 1 0 0 0 -1 1 -2 2 3 -2 2 -3 2 0 3 1 -2 -3 -1 -1 4 1 1 2 3 0 -1 -4
604
1 1 0 1 2 0 2 1 1 0 2 1 2 0 1 2 2 1 3 2 1 1 3 0 3 1 2 1 2 3 0
0 1 0 1 0 2 1 2 2 2 0 0 1 2 1 1 2 1 0 2 2 3 1 0 1 3 2 2 3 2 2
d
M
I Id
11.79 14.52 14.97 15.45 18.28 18.51 20.51 21.35 22.64 22.67 23.71 24.35 24.92 25.06 25.26 26.04 26.13 26.90 28.60 29.28 29.32 29.68 29.87 30.20 30.35 31.11 31.19 32.15 33.58 33.86 33.97
7.506 6.101 5.919 5.735 4.853 4.792 4.330 4.161 3.927 3.922 3.753 3.655 3.573 3.554 3.526 3.421 3.410 3.314 3.121 3.050 3.046 3.009 2.991 2.959 2.945 2.874 2.867 2.784 2.669 2.648 2.639
4 4 2 4 2 2 4 4 4 2 4 4 4 2 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 2
17.7 19.0 100.0 69.7 35.3 34.2 52.2 38.1 7.1 8.6 1.4 7.4 12.5 10.8 7.1 63.8 7.4 8.3 5.0 2.2 30.2 14.3 19.3 38.3 34.3 27.5 2.2 33.0 0.3 1.4 3.5
Zeolites
16:323-802,
Clcl (No. 9) unique axis b, cell choice 1 a = 11.897 A b = 9.707 hl c = 9.633 it ct = 90” /Cl = 95.76” y = 90” F. Walter, Eur. J. Mineral.
20
1996
Austria.
hkl 1 4 -3 -2 3 -4 -3 0 4 0 4 3 2 0 -1 -4 -2 3 5 -5 -1 2 1 -2 1 5 2 0 3 4 -5
3 2 1 2 3 2 3 4 0 0 2 3 2 4 1 2 0 1 1 1 3 4 1 4 3 1 4 4 3 2 1
2 0 3 3 0 1 1 0 2 4 1 1 3 1 4 2 4 3 0 1 3 0 4 1 3 1 1 2 2 2 2
4 1275-1283
(1992).
28
d
M
I Id
34.71 35.53 35.56 35.73 35.89 35.97 36.53 37.04 37.28 37.54 37.58 37.73 38.13 38.26 38.71 38.84 39.12 39.13 39.17 39.39 39.84 40.16 40.23 40.93 40.95 41.25 41.66 41.72 41.78 41.82 41.88
2.584 2.527 2.525 2.513 2.502 2.496 2.459 2.427 2.412 2.396 2.393 2.384 2.360 2.352 2.326 2.318 2.303 2.302 2.300 2.288 2.263 2.245 2.242 2.205 2.204 2.189 2.168 2.165 2.162 2.160 2.157
4 4 4 4 4 4 4 2 2 2 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4
0.7 1.5 3.8 65.1 8.9 1.8 20.1 14.9 1.0 6.9 4.2 2.9 12.0 1.4 5.7 1.4 1.9 4.5 1.3 2.4 1.4 4.3 7.6 5.6 2.0 3.7 4.6 0.8 0.3 3.9 2.5
hkl 0 2 -3 -2 -4 -2 -3 2 5 6 2 -4 -5 0 3 1 3 5 4 -5 -6 -1 -1 1 1 -2 -4 5 1 6 -6
2 0 1 2 2 4 3 4 1 0 2 0 1 4 1 5 3 3 2 3 0 1 5 3 5 4 4 3 1 2 2
4 4 4 4 3 2 3 2 2 0 4 4 3 3 .1 0 3 0 3 1 2 5 1 4 1 3 1 1 5 0 1
20
d
42.05 42.08 43.18 43.50 43.73 43.87 44.55 45.25 45.37 46.00 46.23 46.30 46.34 47.02 47.25 47.46 47.57 47.59 47.77 47.78 48.08 48.25 48.29 48.51 48.61 48.67 48.86 49.39 49.84 49.90 49.92
2.149 2.147 2.095 2.080 2.070 2.064 2.034 2.004 1.999 1.973 1.964 1.961 1.959 1.933 1.924 1.916 1.912 1.911 1.904 1.904 1.892 1.886 1.884 1.877 1.873 1.871 1.864 1.845 1.830 1.828 1.827
A4
I rel
4 2 4 4 4 4 4 4 4 2 4 2 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4
2.4 3.0 2.2 0.8 5.8 8.9 0.7 1.5 2.3 8.9 0.8 5.5 3.2 3.1 6.2 0.6 7.2 1.4 4.7 24.6 1.9 1.7 1.0 0.3 1.1 11.3 2.5 2.1 0.4 3.8 0.9
WEI
Weinebeneite
Zeolites
16:323-802,
1996
605
-WEN
Wen kite
COMPOSITION:
(Ba3.5Ko.5)(Ca5.5N~L0.5)(Sill.oA1g.o)041(OH)2(S04)3.H2O
Candoglia, Italy. CRYSTAL
DATA:
k
1
1 0 1
0 0 1
0 1 0
1 2 1 2 2 3 2 0 1 3 2 1 3 2 2 3 4
0 0 1 0 1 0 1 0 0 0 2 1 1 0 2 1 0
1 0 1 1 0 0 1 2 2 1 0 2 0 2 1 1 0
606
7.56 11.86 13.11 14.08 15.14 17.71 19.28 20.08 22.80 23.38 23.85 25.05 25.77 26.39 27.31 27.48 28.37 29.02 30.03 30.56
Zeolites
11.701 7.462 6.756 6.291 5.850 5.008 4.604 4.423 3.900 3.805 3.731 3.555 3.457 3.378 3.266 3.245 3.146 3.077 2.976 2.925
16:323-602,
c = 7.462 .& y = 120”
S. Merlino? Acta Cryst. B30, 1262~-1266 (1974).
REFERENCE:
h
P62m (No. 189) a = 13.511 A b = 13.511 8, a = 90” p = 90”
6 2 6 12 6 12 12 12 6 24 2 12 12 6 12 12 12 12 24 6
1996
0.1 24.9 27.7 12.0 3.9 17.5 32.1 4.3 0.1 31.6 32.5 Ij6.8 100.0 62.5 4.2 63.2 83.0 20.1 26.9 0.1
2 4 3 3 4 3 2 0 3 4 5 1 4 2 3 5 4 3 2 3
1 0 0 2 1 2 2 0 1 1 0 1 0 0 3 0 2 2 1 3
1
28
d
nf
Ire1
hkl
2 1 2 0 0 1 2 3 2 1 0 3 2 3 0 1 0 2 3 1
31.37 32.89 33.23 33.38 35.15 35.54 35.86 36.11 36.70 37.22 38.47 38.57 39.13 39.36 40.04 40.39 40.81 41.44 41.66 41.90
2.852 2.723 2.696 2.684 2.553 2.526 2.504 2.487 2.449 2.416 2.340 2.334 2.302 2.289 2.252 2.233 2.211 2.179 2.168 2.156
24 12 12 12 12 24 12 2 24 24 6 12 12 12 6 12 12 24 24 12
37.4 15.0 32.7 68.0 3.6 2.4 16.3 3.1 30.9 18.6 19.1 5.5 7.7 15.1 7.1 65.5 1.1 19.0 5.1 3.0
4 4 5 3 5 2 5 3 6 3 4 4 4 5 0 4 1 5 3
28 2 1 1 0 1 2 0 1 0 3 3 2 0 2 0 3 0 1 2
1 2 0 3 1 3 2 3 0 2 0 2 3 0 4 1 4 2 3
42.64 42.92 43.04 43.13 44.80 45.27 45.77 45.97 46.57 47.14 47.25 47.81 48.01 48.59 48.82 48.89 49.47 49.80 49.99
d
Jf
IreI
2.120 2.107 2.101 2.097 2.023 2.003 1.982 1.974 1.91jO 1.928 1.924 1.902 1.895 1.874 1.866 1.863 1.842 1.831 1.825
24 24 12 12 24 12 12 24 6 12 12 24 12 12 2 24 12 24 24
23.8 1.7 2.5 21.9 0.5 2.3 8.6 8.8 3.7 3.9 2.5 0.9 10.6 1.6 19.5 10.2 0.7 1.6 22.6
-WEN
Wen kite
J -.
Zeolites
16:323-802,
1996
607
YUG
Yugawaralite
COMPOSITION:
Caz(Si12A14032).8H20 Hvalfjijrdur, Iceland.
CRYSTAL
Plcl (No. 7) unique axis b, cell choice 1 a = 6.700 A b = 13.972 A c = 10.039 A 0 = 111.07” a = 90” y = 90”
DATA:
REFERENCE:
h
k
0 0 0 1 -1 1 0 -1 0 1 0 -1 0 -1 1 0 0 -1 1 -1 1 0 -1 0 -2 1 1 -1 -2 1 2 -2 2 1 0 -2 -1 1 -2 2 0 0 -1 1 -2
1 1 2 0 1 1 2 2 0 2 3 0 1 1 1 3 2 2 2 3 3 3 3 4 1 3 0 1 0 1 0 1 1 4 1 2 2 2 2 2 2 4 4 4 3
608
1 0 1 0 0 1 0 1 1 2 0 0 2 2 2 1 1 2 2 1 1 0 2 2 1 1 1 2 3 2 2 0 2 0 0 3 1 3 2 2 0 3 2 2 1 1
28 6.33 11.37 12.67 14.17 15.30 15.53 15.82 18.86 18.95 19.05 19.06 19.16 19.99 20.20 20.71 21.31 22.86 23.04 23.49 23.67 23.82 27.00 27.15 27.25 27.39 27.54 27.60 27.70 28.05 28.34 28.55 28.78 29.28 29.29 29.31 29.58 29.87 30.47 30.88 31.35 31.38 31.96 32.09 32.43 32.94
Zeolites
d 13.972 7.781 6.986 6.252 5.790 5.707 5.600 4.704 4.684 4.659 4.657 4.632 4.441 4.397 4.288 4.170 3.890 3.860 3.786 3.758 3.735 3.303 3.284 3.273 3.256 3.238 3.232 3.220 3.181 3.149 3.126 3.102 3.051 3.049 3.047 3.020 2.991 2.933 2.895 2.853 2.851 2.800 2.789 2.761 2.719
16:323-802,
A. Kvick, G. Artioli and J. V. Smith, Z Kristallogr. 174, 265.-281 (1986).
M
I rel
h
k
2 4 2 2 4 4 4 4 2 4 2 2
4.9 8.1 31.0 6.4 82.8 1.5 2.4 0.3 29.2 50.9 6.2 71.5 5.9 13.5 34.8 18.2 6.6 2.3 1.9 9.9 3.1 5.3 3.5 2.2 6.5 8.3 27.1 11.1 2.3 3.4 7.7 5.2 1.6 100.0 16.8 2.5 3.9 15.1 24.3 4.7 1.0 0.7 0.5 14.9 0.2
-2 -1 0 1 2 -2 2 0 -2 -1 1 2 -1 -1 1 -2 -1 0 -1 -2 1 -1 -2 0 2 2 0 0 1 -2 0 -2 0 2 -3 0 -1 -2 -3 -1 -3 1 1 -2 -2
1 3 5 3 1 3 3 3 2 5 5 2 0 1 1 4 4 5 5 3 4 2 4 0 4 3 6 4 2 0 1 1 6 1 0 2 3 2 1 6 1 6 3 4 5
4 4 4 2 4 2 4 2 4 4 4 4 4
1996
1 3 3 1 2 1 2 0 3 3 1 0 1 4 4 3 1 3 2 2 3 2 4 2 4 0 1 0 3 3 4 4 4 1 2 2 4 4 4 2 1 1 0 3 3 1
26,
d
33.08 33.21 33.46 33.75 33.95 34.13 34.56 34.58 34.95 35.07 35.18 35.78 35.78 36.37 37.08 37.19 37.43 37.48 37.59 37.89 37.92 38.10 38.27 38.44 38.65 38.66 38.66 38.68 38.78 38.89 38.99 39.44 39.89 40.56 40.56 40.63 40.85 41.06 41.10 41.28 41.37 41.37 41.49 41.70 42.12
2.708 2.698 2.678 2.655 2.641 2.627 2.596 2.594 2.567 2.558 2.551 2.510 2.509 2.470 2.425 2.417 2.402 2.400 2.393 2.375 2.372 2.362 2.352 2.342 2.329 2.329 2.329 2.328 2.322 2.316 2.310 2.285 2.260 2.224 2.224 2.221 2.209 2.198 2.196 2.187 2.182 2.182 2.177 2.166 2.145
ii4
I rel
h
k
1
28
d
4 4 4 4 4 4 4
17.6 4.3 10.0 3.9 8.8 8.2 2.6 0.4 5.0 1.6 3.2 1.0 4.3 5.5 5.9 2.5 0.4 2.5 0.7 0.9 0.8 9.4 0.7 8.3 1.4 3.2 0.5 1.4 1.3 2.1 1.0 1.1 0.6 1.0 1.2 1.1 2.0 2.5 0.8 3.2 0.5 0.5 2.5 1.6 1.8
2 -1 2 -3 1 -2 -3 0 0 3 2 0 -1 -2 1 3 -1 -3 2 1 -3 3 -3 0 -1 1 -2 1 0 -3 2 -2 -3 -2 -1 -3 -2 -1 3 170 1 2 1 -2 3
2 5 4 2 5 5 1 3 6 0 5 5 6 3 6 1 4 2 3 4 3 2 3 7 1 0 5 1 7 0 5 4 3 1 2 1 6 6 3
2 3 1 2 2 2 3 4 2 0 0 3 2 4 1 0 4 3 2 3 2 0 1 0 5 4 3 4 1 4 1 4 3 5 5 4 1 3 0
2 4 6 6 1
4 2 2 2 1
42.14 42.33 42.42 42.66 42.78 43.08 43.14 43.24 43.39 43.42 43.43 43.46 43.50 43.65 43.76 43.93 44.45 44.65 44.68 45.05 45.18 45.41 45.43 45.44 45.74 46.01 46.23 46.49 46.52 46.79 46.89 47.08 47.08 47.19 47.19 47.26 47.56 47.76 47.81 47.84 47.92 48.06 48.16 48.44 48.48
2.144 2.135 2.131 2.119 2.114 2.099 2.097 2.092 2.085 2.084 2.083 2.082 2.080 2.074 2.069 2.061 2.038 2.029 2.028 2.012 2.007 1.997 1.996 1.996 1.983 1.972 1.964 1.953 1.952 1.942 1.938 1.930 1.930 1.926 1.926 1.923 1.912 1.904 1.902 1.901 1.898 1.893 1.889 1.879 1.878
4 4
4 4 4 4 4 2 4 4 2 4 2 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4
A4 Ire1 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 2 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4
2.3 1.9 4.2 0.1 1.2 1.3 3.9 1.2 0.9 8.9 0.9 1.2 0.9 0.5 0.9 0.1 2.0 0.6 0.6 1.7 2.5 0.9 4.7 1.1 1.3 3.3 0.5 1.3 5.5 2.3 0.7 0.2 0.3 2.2 0.7 4.7 0.3 2.0 0.7 1.9 0.8 9.1 0.3 0.1 0.5
YUG
Yugawaralite
Zeolites
16:323-802,
1996
609
ZON
Tetramethvlammonium
COMPOSITION:
(A124P32zn80128).s(CH3)4N
CRYSTAL
Pbca (No. 61) a = 14.226 A ck = 90”
DATA:
REFERENCE:
hkl 1 0 0 10 2 0 1 2 2 0 2 2 0 2 0 3 2 1 1 3 2 1 2 2 0 0 2 2 0 1 2 3 1 4 0 4 4 1 2 2 4 2 1 3 4
610
20 1 0 2 0 2 1 10 1 2 2 21 2 2 0 1 1 0 3 0 3 1 3 2 2 4 0 3 4 2 1 1 4 0 4 1 1 4 2 4 0 41 3 0 1
1 2 0 2 0 1 2 1 2 0 3 2 4 1 3 4 2 2 0 4 1 3 4 0 4 2 1 4 4 3 1 0 2 0 1 2 4 0 2 4 4 2
9.91 10.08 11.71 11.85 12.44 12.75 13.22 13.76 14.66 15.47 17.12 17.85 19.18 19.90 20.23 20.27 20.51 21.18 21.27 21.30 21.61 21.99 22.20 22.93 23.44 23.54 23.82 23.90 24.09 24.27 24.55 24.87 24.90 25.04 25.66 25.73 26.24 26.43 26.62 26.71 27.05 27.20 27.67 27.69 27.70
Zeolites
ZAPO-Ml
c = 17.557 w y = 90”
B. Marler, J. Patarin and L. Sierra, Private communication (1995).
d
M
I lY?l
h
k
8.922 8.779 7.558 7.471 7.113 6.943 6.697 6.436 6.043 5.728 5.180 4.968 4.627 4.461 4.389 4.382 4.330 4.194 4.177 4.172 4.112 4.041 4.004 3.879 3.796 3.779 3.735 3.724 3.695 3.667 3.626 3.580 3.576 3.557 3.471 3.462 3.397 3.372 3.349 3.337 3.296 3.279 3.224 3.221 3.221
8 2 2
0.2 100.0 11.4 0.6 33.4 2.5 0.7 39.2 2.8 2.6 0.4 0.8 25.1 51.1 2.0 0.8 61.5 0.2 0.2 0.3 15.6 0.1 1.5 29.5 5.7 14.8 27.6 4.7 13.5 0.5 1.8 0.2 0.2 2.4 40.5 1.8 13.1 0.3 2.9 0.6 0.9 0.5 0.1 0.4 24.0
4
2 2 4 2 1
16:323-802,
b = 15.117 A p = 90”
2 4
2 8 8 8 4 8 8 8 4 2 4 8 4 8 8 8 8 2
1996
0 0 4 3 2 1 2 4 2 4 3 0 2 4 4 0 4 3 2 0 4 5 2 2 2 2 1 5 4 4 0 4 5 2 3 0 2 0 1 4 3 3 0 2
4 4 1 2 3 1 2 0 2 3 3 4 2 1 5 2 1 0 3 1 4 5 5 2 3 2 4 4 2 2 5 6 5 6 3 1 3 5 6 4
1 0 5 3 1 4 2 3 5 2 4 3 4 6 5 0 1 4 3 5 1 6 4 2 5 6 4 2 3 1 3 4 5 1 2 6 1 0 3 1 6 5 5 2 2 5
20
d
M
I rel
h
k
1
20
d
Al
Irel
27.72 28.02 28.11 28.19 28.33 28.61 28.81 28.97 29.56 29.77 29.99 30.16 30.55 30.76 30.77 31.20 31.23 31.73 32.27 32.58 32.82 32.95 33.10 33.56 33.64 33.74 33.79 33.96 34.05 34.46 34.56 34.88 35.02 35.22 35.23 35.58 35.63 35.73 36.01 36.05 36.44 36.49 36.71 37.12 37.17
3.218 3.184 3.175 3.165 3.150 3.120 3.099 3.082 3.021 3.001 2.980 2.963 2.926 2.907 2.906 2.867 2.864 2.820 2.774 2.748 2.729 2.718 2.707 2.670 2.664 2.657 2.652 2.640 2.633 2.602 2.595 2.572 2.562 2.548 2.548 2.523 2.519 2.513 2.494 2.491 2.465 2.462 2.448 2.422 2.419
4
0.9 0.4 1.4 0.6 0.1 4.6 0.5 1.5 1.1 2.9 24.4 0.1 1.0 11.4 2.1 2.5 1.1 0.1 0.1 6.5 12.2 3.7 0.1 0.1 3.5 1.5 0.6 0.1 0.2 3.4 0.7 0.3 0.1 0.2 4.1 0.2 0.5 9.2 1.6 0.1 1.5 0.2 0.2 1.1 1.5
2 2 6 4 2 1 6 6 0 4 2 4 1 6
3 6
6
4 61 2 1 1 4 5 6 5 4 2
3
37.73 37.88 37.95 37.99 38.24 38.34 38.43 38.78 38.92 39.10 39.30 39.45 39.46 39.85 39.90 39.94 40.19 40.29 40.36 40.48 40.68 41.01 41.02 41.02 41.21 41.27 41.32 41.40 41.52 41.72 41.87 42.09 42.12 42.45 42.67 42.91 43.29 43.32 43.41 43.42 43.51 43.57 43.81 43.81 43.91
2.384 2.375 2.371 2.368 2.353 2.348 2.342 2.322 2.314 2.304 2.293 2.284 2.284 2.262 2.260 2.257 2.244 2.239 2.235 2.228 2.218 2.201 2.201 2.200 2.191 2.187 2.185 2.181 2.175 2.165 2.158 2.147 2.145 2.130 2.119 2.108 2.090 2.089 2.084 2.084 2.080 2.077 2.067 2.066 2.062
8 4 2 8 8 8 4 8 4 4 8 8 8 4 4 8 8 8 8 8 8 8 8 8 8 8 4 8 8 8 8 8 4 8 8 4 4 8 8 8 8 8 8 4 8
0.2 1.4 2.4 0.7 2.8 0.3 1.7 1.3 2.0 4.2 1.6 1.9 0.3 0.2 0.3 2.3 0.1 0.6 0.8 0.7 0.2 0.5 0.2 0.6 0.2 0.1 0.8 4.5 3.2 0.8 0.1 0.1 1.1 0.1 0.1 0.5 0.2 0.6 0.6 0.3 0.2 0.5 0.2 0.3 4.0
4 8
8 8 4 8
4 2 6 4 4 3 13 2
5 2‘ 6 5 0 2 6 4
5 1 6 6 5
0 0 2 4 6 3 2 6 2 4
0 0 0
0 2 2 3 1 5
7 0 1 6
0 2 1 6
0 6 7 1
5 6 2
7 6
4 3 2 1 6 5 1 2 3 1 3 3 4 2 4 6 4 3 6 1 1 7 3
3 2 6 2 5 4 5 3 6 4 8
0 1 3 8 7 4 5 2 3 8 4
0 6
ZON
ZAPO-Ml
c c
’ Zeolites
16:323-802,
1996
611
AIDha
COMPOSITION:
CRYSTAL
Si408 Ellora,
DATA:
k
1 1 1 1
0 1 1 0
612
1 1 0 1 2
Zeolites
India.
W. A. Dollase, Z. Kristallogr. 121, 369-377
20
d
lvl
Irei
22.00 25.34 28.47 31.44
4.041 3.514 3.135 2.845
8 4 8 8
100.0 0.7 9.0 11.2
16:323-802,1996
Hyderabad,
P412~2 (No. 92) a = 4.97 A b = 4.97 A p = 90” cy = 90”
REFERENCE:
h
Cristobalite
h k 2 1 2 1
0 1 1 0
1 0 2 1 3
c = 6.94 A y = 9o”
(1965).
20
d
A4
IreI
hkl
36.15 36.38 42.72 43.13
2.485 2.469 2.117 2.097
4 8 16 8
14.0 4.3 2.7 0.2
2 1 2
0 1 1
2 3 2
20
d
44.86 47.03 48.65
2.020 1.932 1.872
JJ4 Ire1 8 8 16
2.6 5.2 5.4
Alpha
Cristobalite
Zeolites
16:323--fSO2,~996
613
Keatite
COMPOSITION:
CRYSTAL
Si12024 Synthetic
DATA:
P43212 (No. 96) a = 7.46 A b = 7.46 ii cr = 90” p = 90”
REFERENCE:
hkl 1 1 1 2 1 2 2 1 2
614
0 1 1 0 0 0 1 1 1
1 0 1 0 2 1 0 2 1
J. Shropshire, Z. Kristallogr.
20
d
Af
Ire1
15.72 16.81 19.74 23.86 23.86 26.03 26.72 26.73 28.70
5.638 5.275 4.498 3.730 3.729 3.423 3.336 3.335 3.111
8 4 8 4 8 8 8 8 16
4.4 0.2 11.0 0.7 39.8 100.0 0.5 20.7 15.5
Zeolites
16:323-802.
material.
1996
P. P. Keat, P. A. Vaughan, 112, 409-413 (1959).
hkl 2 2 2 1 3 3 3 2 2
0 2 1 1 0 1 1 2 I
c = 8.61 A y = 90”
2 0 2 3 1 0 1 2 3
20
d
31.74 33.99 34.00 35.61 37.65 38.15 39.61 40.09 41.50
2.819 2.638 2.637 2.521 2.389 2.359 2.275 2.249 2.176
Al
-Id
8 4 16 8 8 8 16 8 16
0.4 0.3 0.3 1.6 0.2 0.1 0.7 3.2 3.7
hkl 0 3 3 1 1 3 4 3
219 0 2 1 0 1 0 0 2
4 0 2 4 4 3 0 2
41.97 43.75 43.76 43.77 45.51 48.43 48.83 48.84
d 2.152 2.069 2.069 2.068 1.993 1.879 1.865 1.865
Af
IreI
2 8 16 8 8 8 4 16
1.2 0.2 1.9 0.8 0.7 6.5 7.8 2.6
Keatite
Zeolites
l&323-802,
1996
615
Moganite
COMPOSITION:
CRYSTAL
Si12024 Mogan formation,
DATA:
REFERENCE:
I1 2/u 1 (No. a = 8.758 A ck= 90”
Gran Canaria,
Canary
Islands.
15) unique axis b: cell choice 3 b = 4.876 A c = 10.715 A ii-J= 90.08” y = 90”
G. Miehe and H. Graetsch, Eur. J. hIinera1. 4, 693--706 (1992).
hkl 0 0 2 -2 2 -1 1 -2 2 0 0 3
616
0 1 0 0 0 1 1 1 1 1 0 1
2 1 0 2 2 2 2 1 1 3 4 0
16.55 20.01 20.28 26.27 26.30 26.73 26.74 28.63 28.65 31.04 33.45 35.85
Zeolites
5.358 4.438 4.379 3.393 3.388 3.336 3.333 3.118 3.116 2.881 2.679 2.505
16:323-802,
2 4 2 2 2 4 4 4 4 4 2 4
0.2 45.7 22.3 47.4 75.5 100.0 57.3 26.7 12.1 16.4 1.0 1.2
1996
0 -2 2 -1 1 -2 2 -3 3 1 0 4
2 1 1 2 2 0 0 1 1 1 2 0
0 3 3 1 1 4 4 2 2 4 2 0
36.87 37.34 37.38 39.27 39.27 39.41 39.46 39.70 39.74 39.76 40.66 41.23
2.438 2.408 2.406 2.294 2.294 2.286 2.284 2.270 2.268 2.267 2.219 2.190
2 4 4 4 4 2 2 4 4 4 4 2
9.2 0.1 1.3 3.3 5.0 7.6 0.6 0.4 0.4 4.2 0.9 6.8
2 -4 3 2 -4 4 -1 1 0 -3 3
28 2 0 0 2 1 1 2 2 1 1 1
0 2 2 2 1 1 3 3 5 4 4
42.43 44.69 44.73 45.85 46.22 46.24 46.25 46.27 46.28 49.81 49.87
d 2.130 2.028 2.026 1.979 1.964
iv
IreI
4 2 2 4 4
9.5 1.9 3.8 0.5 0.4 3.0 0.5 0.4 0.6 11.2 12.5
1.963
4
1.963 1.962 1.962 1.831 1.828
4 4 4 4 4
Moganite
i
Zeolites
16:3X3-602,
1996
617
AIDha Quartz
COMPOSITION:
CRYSTAL
Si3Ofj Synthetic
DATA:
P3221 (No. 154) u = 4.916 A b = 4.916 .k cy = 90” p = 90”
1 0 1 1
618
0 1 0 1
0 1 1 0
20
d
20.86 26.65 26.65 36.56
4.257 3.345 3.345 2.458
Zeolites
16:323-802,
c = 5.4054 A y = 120”
L. Levien, C. T. Prewitt and D. J. Weidner, Am. Mineral 65, 920-930 (1980).
REFERENCE:
hkl
material.
n!f
Ire,
hkl
6 6 6 6
26.7 8.9 100.0 9.6
0 1 1 2
1996
26, 1 0 1 0
2 2 1 0
39.49 39.49 40.31 12.46
d 2.282 2.282 2.237 2.129
Al
Ire1
hkl
6 6 1’ 6
21.2 1.1 8.3 7.0
0 2
2 0
1 1
20
d
45.81 45.81
1.981 1.981
Iv
6 6
Ire1
1.3 2.8
Alpha
Quartz
Zeolites
16:323-802,
1996
619
Tridymite COMPOSITION:
si48096
From the Steinbach meteorite, Harvard Museum, U.S.A. CRYSTAL
DATA:
REFERENCE:
hkl 0 2 2 1 -1 -4 -1 1 2 -1 -4 1 -2 -3 -1 3 0 4 -3 311 -3 312 -1 -4 -3 2 1 3 4 -6 -6 -3 -5 -2 6 -5 3 -5 116 -5 -1 5 -4 -5 -3
0 0 0 1 1 0 1 1 0 1 0 1 0 1 1 10 0 0 1
2 0 2 0 1 2 2 2 4 3 4 3 6 1 4
1
4
1 0 1 0 1 13 0 0 0 1 1 0 0 1 1 1
5 6 5 6 5 4 2 4 6 2 8 0 1 4 3
1 1 1 0 1 1
4 7 1 8 5 7
620
6 2 3
Clcl (No. 9) unique axis b, cell choice 1 a = 18.524 A b = 5.0032 A c = 23.810 cl = 90” ,d = 105.82" y = 90” W. A. Dollase, W. H. Baur, Am. Mineral. 61, 971-978 (1976).
28
d
M
Id
hk
7.72 9.93 14.16 18.42 18.54 19.31 19.46 20.52 20.59 21.07 21.68 22.54 22.70 22.88 23.24 23.24 23.30 23.31 24.11 24.24 25.62 25.81 25.83 26.27 27.62 27.82 27.84 27.85 28.54 28.92 29.87 30.02 30.03 30.06 30.08 30.16 30.28 30.41 30.94 31.30 31.91 31.92 32.22 32.65 32.73
11.454 8.911 6.255 4.817 4.785 4.597 4.562 4.328 4.313 4.217 4.100 3.945 3.917 3.887 3.828 3.827 3.818 3.816 3.691 3.671 3.476 3.452 3.449 3.392 3.229 3.207 3.204 3.203 3.128 3.087 2.991 2.977 2.976 2.972 2.970 2.963 2.951 2.939 2.890 2.858 2.805 2.803 2.778 2.743 2.736
2 2 2 4 4 2 4 4 2 4 2
0.4 0.2 0.2 0.6 0.2 2.4 1.1 100.0 56.5 1.7 82.5 0.3 0.6 1.3 27.0 26.8 15.7 15.0 0.4 3.1 0.5 2.5 2.3 4.5 3.5 1.5 1.3 0.8 0.9 1.1 0.1 6.1 7.3 4.5 5.1 1.0 2.1 2.1 0.5 0.2 0.5 1.9 5.5 0.4 1.2
117 -5 40 513 20 -3 02 316 02 -5 -2 02 -1 -3 -7 -5 -7 -4 -8 317 710 -7 515 71 -8 -2 -7 02 11 2 40 42 -3 -4 -1 712 -7 31 -6 -2 516 02 42 2 60
Zeolites
16:323-802,1996
2 4 4 2 2 4 4 4 4 2 4 2 4 4 2 2 2
4 4 4
H,
1 1
1
6 6 8 8 0
1 1 1 1 1 0 0
1 7 10 3 9 9 1 8 4 10 2
1
5
1 0
0 2 1
2
1 2 1 1 0 2
0
1 6 5 6 5 9 4 8 1 10 4 10 7 8 10 6 6 2 10 6
28 34.24 34.41 34.87 35.43 35.44 35.71 35.90 36.03 36.12 36.53 37.79 37.84 38.78 38.90 38.92 38.97 38.98 39.00 39.03 39.24 39.72 39.82 40.30 40.91 40.96 41.03 41.04 41.11 41.32 41.74 41.89 42.13 42.27 42.32 42.43 42.45 42.61 42.63 42.77 42.89 43.13 43.24 43.24 43.38 43.40
d 2.619 2.607 2.573 2.533 2.533 2.514 2.502 2.493 2.487 2.460 2.381 2.377 2.322 2.315 2.314 2.311 2.311 2.309 2.308 2.296 2.269 2.264 2.238 2.206 2.203 2.200 2.199 2.196 2.185 2.164 2.156 2.145 2.138 2.136 2.131 2.129 2.122 2.121 2.114 2.108 2.097 2.092 2.092 2.086 2.085
ill
I El
4 4
4.1 2.6 1.1 3.4 0.1 0.4 20.9 11.0 0.1 0.4 0.5 0.1 0.6 0.2 0.3 1.8 4.6 2.3 6.7 0.4 0.2 0.2 2.3 0.4 0.6 0.2 0.1 0.1 1.6 0.3 0.3 0.2 0.4 2.4 0.2 0.3 0.6 1.9 0.2 0.1 0.4 3.0 2.7 2.0 1.3
4 4 4
4
4 4 4 4 2 4 4 4 4 2 2
hkl -8 -5 42 -4 1 -2 02 -3 -2 22 319 517 -1 -4 42 714 -7 -6 -6 -6 -2 62 0 80 -5 -9 -9 -6 -9 62 22 -9 -8 1 715 -4 -7 -9 -6 -10 910 62 3 60
28 0 1 2 1 2 1 0
8 10 3 6 10 7 7 11 12 6
1 0
11 12 4
1 2 2 2 2
1 0 1
9 3 1 3 8 0 12 4 11 3 2 5 5 1 7 1 10 11
2 1 1 0 0
8 10 6 12 4
1
2 10 8
0 1 1 1 2 1
44.18 44.61 44.70 45.03 45.06 45.06 45.65 45.80 45.81 46.01 46.17 16.18 46.20 46.36 46.48 46.49 46.71 46.88 46.95 47.37 47.50 47.52 47.63 47.66 47.76 47.79 48.02 48.21 48.38 48.43 48.55 48.59 48.62 48.91 48.93 49.00 49.17 49.19 49.20 49.23 49.50 49.67 49.85 49.90
d 2.050 2.031 2.027 2.013 2.012 2.012 1.987 1.981 1.981 1.972 1.966 1.966 1.965 1.959 1.954 1.953 1.945 1.938 1.935 1.919 1.914 1.913 1.909 1.908 1.904 1.903 1.895 1.887 1.881 1.880 1.875 1.874 1.872 1.862 1.862 1.859 1.853 1.852 1.852 1.851 1.841 1.836 1.829 1.828
fif
Ire1
2 4 4 4 4 4 4 4 2 4 4 4 4 2 4 4 4 4 4 4 4 4 2 2 4 4 4 4 4 4 4 4 2 4 4 4 4 4 2 2 4 4 4 2
2.6 0.7 0.2 0.2 0.2 0.6 0.3 0.7 0.3 0.6 0.3 0.1 0.1 0.7 0.3 0.2 1.2 0.1 0.2 0.3 0.2 0.3 0.2 0.3 0.1 0.9 0.1 0.2 0.6
0.2 0.1 0.3 0.6 0.2 0.6 0.8 0.2 0.3 0.3 0.3 0.2 0.2 0.8 1.1
Tridymite
Zeolites
16:323-802,
1996
621
EXTRA
INTENSITY
LISTINGS
Zeolites
16:323-802,
1996
623
AEI
Calcined
h
k
1
28
5 -3 3 0 -5 5 1 -3 -4 4 -5 5
3 1 1 4 1 1 3 5 2 2 3 3
4 8 8 7 6 6 8 4 7 7 5 5
43.88 44.34 44.34 44.46 44.72 44.72 45.00 45.20 45.52 45.53 46.38 46.39
d 2.063 2.043 2.043 2.038 2.026 2.026 2.014 2.006 1.993 1.992 1.958 1.957
hf
Ire1
4 4 4 4 4 4 4 4 4 4 4 4
0.2 0.3 0.2 0.1 0.2 0.2 0.2 0.1 0.2 0.1 0.2 0.2
hkl -6 6 -1 7 7 7 5 -4 4 -3 -3 3
AIP04-18
20 2 2 5 1 1 1 5 4 4 1 3 1
4 4 6 0 1 2 0 6 6 9 8 9
46.53 46.54 46.66 46.93 47.20 48.00 48.80 48.89 48.90 48.96 48.96 48.96
d 1.952 1.951 1.946 1.936 1.925 1.895 1.866 1.863 1.863 1.861 1.860 1.860
A!l
IL&?1
hk
4 4 4 4 4 4 4 4 4 4 4 4
0.2 0.2 0.2 0.2 0.3 0.2 0.9 0.1 0.5 0.1 0.2 0.1
-2 0 -5 55 -5 -7 53 713 06 -5 55
6 0 5
1
28
d
4 10 1 1 6 3 6
1.858 1.857 1.857 1.857 1.848 1.848 1.848 1.848 1.842 1.829 1.829
M Irei 4 2 4 4 4 4 4 4 4 4 4
0.1 1.1 0.4 0.5 0.4 0.3 0.2 0.3 0.3 0.2 0.4
5
5 2 2
49.03 49.05 49.07 49.07 49.31 49.31 49.32 49.32 49.47 49.84 49.85
1
26,
d
M
Irei
48.42 49.15 49.17 49.29 49.42 49.53 49.54 49.73 49.75 49.79
1.880 1.854 1.853 1.849 1.844 1.840 1.840 1.833 1.833 1.831
4 4 4 4 2 4 4 4 4 4
0.4 0.1 0.1 0.2 1.9 0.1 0.5 0.1 0.2 0.1
d
M
Ire1
1.893 1.886 1.875 1.868 1.867 1.858 1.851 1.850 1.838 1.835 1.829 1.828 1.826 1.826
4 4 8 8 8 8 8 8 8 8 2 4 8 8
3 1
Calci ned Al Pod-41
h
k
1
20
d
AI
3 5 5 2 2 2 2 2 0 3
-4 -2 -3 3 -5 -1 5 -7 62 3
3 0 0 3 3 4 1 1
46.45 46.87 46.88 46.96 46.97 47.35 47.47 47.48 47.53 47.59
1.955 1.938 1.938 1.935 1.935 1.920 1.915 1.915 1.913 1.911
4 2 2 4 4 4 4 4 4 4
2
AFR
h
k
0.6 1.0 0.7 0.1 0.3 0.3 0.9 1.6 0.3 0.4
3 3 1 1 5 1 1 0 5 5
40 -7 2 -3 -1 6 -7 53 -2 -3
1 0 4 4 0 1 1 1 1
28
d
M
IreI
h
k
47.84 47.87 47.88 47.88 47.98 48.00 48.01 48.04 48.20 48.20
1.901 1.900 1.900 1.900 1.896 1.895 1.895 1.894 1.888 1.888
2 2 4 4 2 4 4 4 4 4
0.9 0.4 0.1 0.3 0.1 0.3 0.4 0.5 0.4 0.1
0 3 3 5 0 2 2 3 3 4
34 4 -7 -4 70 1 -3 2 -5 -2
Tetrapropylammonium
h
k
1
28
10 5 3 3 7 9 8 6 3 4 9 6 9 7
2 0 6 5 5 3 4 4 3 5 0 0 1 5
0 6 2 4 0 2 2 4 6 4 4 6 4 2
43.30 43.32 43.44 43.48 43.90 43.98 44.18 44.27 44.77 44.90 45.06 45.54 45.57 45.80
624
Ire1
Zeolites
d 2.090 2.089 2.083 2.081 2.062 2.059 2.050 2.046 2.024 2.019 2.012 1.992 1.991 1.981
16:323-802,
M 4 4 8 8 4 8 8 8 8 8 4 4 8 8
1996
1x1 0.2 0.8 1.7 0.3 0.9 1.1 0.5 0.3 0.7 0.4 1.1 0.9 1.0 0.7
h
k
11 4 8 1 5 5 1 6 9 4 2 9 6 11
1 3 3 7 6 5 4 6 2 6 4 4 2 1
1 0 6 4 0 2 4 6 0 4 3 6 2 6 2
1 1 1 4 4 3 3 3
SAPO-40
20
d
M
IreI
h
k
45.97 46.16 46.27 46.62 46.64 46.68 46.74 46.93 47.08 47.19 47.32 47.53 47.54 47.81
1.974 1.967 1.962 1.948 1.947 1.946 1.944 1.936 1.930 1.926 1.921 1.913 1.912 1.902
4 8 8 4 8 8 8 4 8 8 8 8 8 8
0.6 0.3 0.3 0.9 0.3 1.0 0.5 0.4 1.2 0.1 0.6 0.1 0.8 0.2
7 0 7 6 6 3 10 11 4 8 12 11 3 6
0 7 1 6 5 6 1 2 4 4 0 3 7 3
1 6 2 6 2 4 4 4 2 6 4 0 0 2 6
28 48.06 48.25 48.55 48.74 48.78 49.02 49.22 49.26 49.59 49.69 49.87 49.89 49.93 49.96
0.2 1.8 1.5 0.2 2.6 0.2 0.1 0.7 0.3 0.4 3.0 0.1 0.6 0.3
BOG
Boggsite
h
k
1
28
d
6 4 7 0 0 8 2 5 8 5 7 4 6 4 1 7 3 7
4 10 1 11 0 6 8 25 3 92 3 5 9 9 3 6 6 8 7 9
4 0 4 1 6 0 4
41.77 41.95 42.31 42.37 42.37 42.38 42.44 42.47 43.11 43.25 43.72 43.97 44.09 44.09 44.20 44.20 44.20 44.26 44.30 44.68
2.162 2.153 2.136 2.133 2.133 2.133 2.130 2.128 2.098 2.092 2.071 2.059 2.054 2.054 2.049 2.049 2.049 2.047 2.045 2.028
0
1
3 4 5 1 3 6 3 5 1
5 4
M Ire1 8 4 8 4 2 4 8 8 8 8 8 8 8 8 8 8 8 8 4 8
0.2 0.2 0.6 3.8 0.3 0.8 0.6 0.2 1.6 0.2 0.5 0.4 0.1 0.8 0.9 0.1 3.0 0.1 0.4 0.5
h 5 10 8 5 0 8 2 10 10 3 8 0 8 6 3 3 8 3 1 2
k
1
10 1 0 0 6 2 7 4 4 6 7 1 7 5 2 0 1 1 10 3 0 4 12 0 5 3 3 5 3 6 11 2 2 4 9 4 12 1 12 0
28
d
44.74 44.79 44.79 44.89 45.16 45.24 45.24 45.46 45.54 45.68 45.72 45.75 45.86 45.96 46.07 46.30 46.39 46.55 46.56 46.67
2.026 2.024 2.023 2.019 2.008 2.004 2.004 1.995 1.992 1.986 1.984 1.983 1.979 1.975 1.970 1.961 1.957 1.951 1.951 1.946
M Ire1 8 2 8 8 4 8 8 4 8 8 4 2 8 8 8 8 8 8 8 4
0.4 8.6 0.2 0.2 1.5 0.1 0.2 0.7 1.2 0.2 8.1 2.1 2.4 0.1 0.6 0.4 0.6 7.7 0.6 0.4
h
k
1
28
d
10 0 10 10 0 5 0 8 3 0 2 3 7 2 2 10 5 10 8 5
3 11 0 4 10 6 12 4 12 6 10 5 8 12 6 5 3 4 7 11
1 3 2 0 4 5 2 4 1 6 4 6 3 2 6 1 6 2 3 2
46.87 47.10 47.10 47.46 47.62 47.90 48.03 48.35 48.36 48.46 48.52 48.69 48.84 48.92 49.34 49.46 49.66 49.67 49.75 49.87
1.938 1.930 1.929 1.916 1.909 1.899 1.894 1.882 1.882 1.879 1.876 1.870 1.865 1.862 1.847 1.843 1.836 1.835 1.833 1.828
8 4 4 4 4 8 4 8 8 4 8 8 8 8 8 8 8 8 8 8
0.3 0.1 0.2 0.1 0.3 0.4 1.6 0.6 0.1 1.4 0.2 1.8 0.3 1.2 0.1 0.6 1.0 0.9 0.2 0.4
BRE
Brewsterite
h
k
1 0 0 2 2 0 -2 3
5 3 6 3 0 4 7 1 2 3 1 4 4 3 4 1
1
20
d
46.51 46.95 46.99 47.10 47.11 47.29 47.35 47.59
1.953 1.935 1.934 1.929 1.929 1.922 1.920 1.911
M
4 4 2 4 4 4 4 4
Ire1
14.9 1.8 1.1
2.4 2.0 0.6 1.8 0.1
h
k
1
20
0 -3 -1 3 0 0 3 2
8 3 0 5 9 2 0 6
2 2 4 0 1 4 2 2
47.61 47.61 47.89 47.89 48.06 48.19 48.26 48.40
d 1.910 1.910 1.899 1.899 1.893 1.888 1.886 1.881
hf
Ire1
hkl
4 4 2 4 4 4 2 4
0.2 0.8 4.8 2.6 6.0 0.3 3.2 0.5
3 -3 -1 -1
1 5 8 2
2 1 2 4
3
2
2
2 0 -3
8 3 4
0 4 2
28
d
hJ
Ire1
48.56 48.59 49.04 49.07 49.44 49.46 49.65 49.67
1.875 1.874 1.857 1.857 1.844 1.843 1.836 1.836
4 4 4 4 4 4 4 4
0.5 0.2 1.4 5.5 1.5 2.5 4.2 1.0
Zeolites
16:323-602,
1996
625
Decamethonium
hk
28
d
hJ
IreI
hk
42.59 42.71 42.79 43.03 44.66 44.85 45.17 45.42 46.02
2.122 2.117 2.113 2.102 2.029 2.021 2.007 1.997 1.972
24 12 12 24 12 24 12 24 2
0.3 0.2 0.4 0.3 0.2 0.6 0.6 0.5 0.1
1 0 65 913 73 83 60 62 80 2 1
1
64 2 0 80 82 910 73 74 61 0 0
3 10 5 1 4 0 8 11
EMT 128 4 1 0
5 2 9 8 7 11
Partially
hk 5 7 1
1 11 3
3 5 15
d 48.21 48.41 48.52
hJ 24 24 12
1.888 1.880 1.876
EUO
5 4 5
1 3 0
Calcined,
1
29
d
hf
Ire1
h
k
1
2 2 5 3 4 6 0 3 4 2 2 1 5 1 6 2 2 0 3 4 5
4 8 3 9 2 0 8 5 6 0 10 3 5 7 4 10 2 6 9 8 3
8 5 5 1 7 3 6 7 5 9 0 9 4 7 0 1 9 8 3 3 6
41.44 41.49 41.66 41.68 41.75 41.79 42.07 42.24 42.29 42.42 42.59 42.63 42.67 42.80 42.80 42.84 43.23 43.34 43.65 43.97 44.36
2.179 2.176 2.168 2.167 2.163 2.161 2.148 2.139 2.137 2.131 2.123 2.121 2.119 2.113 2.113 2.111 2.093 2.088 2.074 2.059 2.042
8 8 8 8 8 4 4 8 8 4 4 8 8 8 4 8 8 4 8 8 8
0.8 0.3 0.2 0.7 0.2 0.7 0.3 1.5 0.6 0.2 1.4 0.4 0.5 0.5 1.8 0.2 0.3 0.3 0.1 0.1 0.5
5 5 0 0 3 3 2 6 0 5 1 1 1 1 2 0 6 3 7 3 2
7 5 0 8 1 9 6 0 2 7 5 9 11 7 10 10 6 3 1 7 0
2 5 10 7 9 4 8 5 10 3 9 6 2 8 4 5 0 9 1 7 10
16:323-802,
1996
hf
Ire1
hk
12 24 24 24 23 12 214 12 24
0.2 0.1 0.2 0.3 0.1 0.1 0.5 0.1 0.7
65 83 66 3 1 83 92 84 ‘4 0
d 48.81 48.85 49.00
1.866 1.864 1.859
28
d
44.52 44.85 44.92 45.22 45.24 45.32 45.41 45.66 45.69 45.70 45.77 45.94 46.10 46.37 46.41 46.48 46.68 46.76 46.83 46.92 46.94
2.035 2.021 2.018 2.005 2.004 2.001 1.997 1.987 1.986 1.985 1.982 1.975 1.969 1.958 1.956 1.954 1.946 1.943 1.940 1.937 1.935
1 4 3 0 11 3 3 0 11
20
d
hf
Ire.1
47.86 47.97 48.90 49.22 49.32 49.42 49.86 49.94
1.900 1.897 1.863 1.851 1.848 1.844 1.829 1.826
24 24 6 24 24 24 12 12
0.1 0.1 0.1 0.2 0.3 0.3 0.2 0.1
EMC-2
hf 24 24 12
rehydrated,
k
Zeolites
d 1.962 1.954 1.954 1.946 1.934 1.931 1.908 1.907 1.904
128 11 10 12
h
626
20 46.27 46.48 46.48 46.67 46.99 47.06 47.67 37.68 47.76
dehydrated
hk
Ire1 0.2 0.1 0.1
DAF-1
Ird 0.3 0.1 0.1
hkl 4 7
4 0
8 8
28
d
49.20 49.59
1.852 1.838
Aff 12 12
28
d
hf
Ire,
47.25 47.31 47.34 47.40 47.40 47.65 47.70 47.94 47.95 48.45 48.64 48.66 48.69 48.89 48.91 49.18 49.28 49.34 49.57 49.69 49.80
1.924 1.921 1.920 1.918 1.918 1.908 1.907 1.898 1.897 1.879 1.872 1.871 1.870 1.863 1.862 1.853 1.849 1.847 1.839 1.835 1.831
8 8 4 8 8 8 8 4 8 8 8 4 4 8 8 4 8 8 8 8 8
0.3 1.2 0.1 0.3 0.7 2.7 0.1 0.1 0.5 0.8 0.3 2.9 0.3 0.1 0.3 0.1 0.1 1.9 0.3 1.2 0.5
IreI 0.1 0.2
EU-1
h 8 8 2 4 8 8 8 4 4 8 8 8 8 8 8 4 4 8 8 8 4
0.3 0.4 0.8 0.3 1.3 1.8 0.7 1.3 0.3 0.1 0.8 0.4 0.3 0.5 0.3 0.2 4.0 0.1 0.6 0.1 0.3
k
1
1 11 5 7 0 6 5 5 3 9 4 4 1 8 0 4 4 6 2 10 6 4 0 8 4 10 1 9 4 10 0 12 5 1 3 11 4 10 3 5 5 9
3 4 9 6 5 8 5 10 7 5 5 8 0 7 1 1 8 1 2 9 1
GIS
Gismondine
h
k
1
26
d
M
Ire1
h
k
1
26’
d
M
IreI
h
1 2 5 47.58 1.911 4 2 -4 3 47.59 1.911 4 4 3 1 47.63 1.909 4 2 1 5 47.68 1.907 4 3 -4 2 47.95 1.897 4 2 3 4 47.99 1.896 4 3 2 4 48.15 1.890 4
1.0 2.7 2.3 0.4 2.2 0.2 0.1
4 5 2 0 2 1 2
-3 1 -5 5 4 -5 -5
2 1 0 2 3 2 1
48.19 48.30 48.34 48.59 48.84 49.13 49.14
1.888 1.884 1.883 1.874 1.865 1.854 1.854
4 4 2 4 4 4 4
0.2 3.1 0.1 0.4 0.6 6.5 2.3
4 2 3 5 0 2 1 5 2 2 -2 5 5 -1 2
k
1
28
d
M
Ire,
49.24 49.42 49.90 49.92 49.92
1.851 1.844 1.827 1.827 1.827
4 4 4 4 4
4.6 0.1 0.4 0.3 4.1
GO0
Goosecreekite
hkl
-2 -2 2 3 1 -3 2
28
7 5 7 4 7 6 5
2 3 1 1 2 1 2
47.98 48.08 48.26 48.29 48.42 48.48 48.53
d
1.896 1.893 1.886 1.885 1.880 1.878 1.876
M Ire1
h
k
1
28
4 4 4 4 4 4 4
1 0 -2 -1 2 -1 0
9 9 8 6 8 8 8
0 1 1 3 0 2 2
48.69 48.75 48.88 48.90 48.97 49.04 49.18
0.8 1.4 0.3 3.2 0.4 0.3 1.5
d
1.870 1.868 1.863 1.862 1.860 1.858 1.852
M
4 4 4 4 4 4 4
IreI
h
k
1
28
d
0.4 1.7 0.9 1.1 0.4 2.6 0.5
-4 -3 3 -4 -1
0 3 6 1 9
1 3 0 1 1
49.25 49.33 49.53 49.55 49.56
1.850 1.847 1.841 1.840 1.839
M
2 4 4 4 4
Ire,
10.4 0.4 6.0 0.5 1.4
HEU
Heulandite
h
k
1
28
d
-8 -5 -1 -8 4 6 -9 8 2 -8
4 7 5 4 8 4 1 2 0 2
1 2 3 2 0 1 2 0 3 3
46.03 46.06 46.14 46.18 46.40 46.50 46.53 46.58 46.89 47.05
1.972 1.971 1.967 1.966 1.957 1.953 1.952 1.950 1.938 1.931
M
Ire1
h
k
1
28
4 4 4 4 4 4 4 4 2 4
4.4 0.4 4.3 1.1 0.2 2.6 7.1 0.5 0.6 1.2
-9 -1 -2 5 7 2 -2 -3 -4 3
1 9 8 1 1 2 6 9 8 9
1 1 2 2 1 3 3 1 2 0
47.14 47.16 47.31 47.46 47.67 48.03 48.12 48.54 48.62 48.73
d
1.928 1.927 1.921 1.916 1.908 1.894 1.891 1.876 1.873 1.868
M
Ire1
h
k
1
28
d
4 4 4 4 4 4 4 4 4 4
0.2 1.3 2.1 0.8 0.5 0.5 0.3 0.2 1.1 2.1
-9 -4 -5 5 -3 -7 7 8
3 0 1 3 1 5 3 4
2 4 4 2 4 3 1 0
48.81 49.05 49.55 49.71 49.80 49.86 49.91 49.98
1.866 1.857 1.840 1.834 1.831 1.829 1.827 1.825
Zeolites
M
Ire1
4 2 4 4 4 4 4 4
0.5 1.2 2.0 0.7 5.0 2.0 0.3 0.2
16:323-802,
1996
627
CIinot3tiIoIite
h
k
1
20
-8 -1 -9 6 8 -8 -1
4 5 1 4 2 2 9
2 3 2 1 0 3 1
46.38 46.38 46.77 46.97 47.06 47.16 47.30
d 1.958 1.957 1.942 1.934 1.931 1.927 1.922
M
Ire1
4 4 4 4 4 4 4
1.2 4.5 2.6 2.2 0.2 0.8 0.6
LAU
2 -2 5 -4 7 -2 2
0 8 1 6 1 6 2
3 2 2 3 1 3 3
Cobalt
h
k
-2 2 4 -7 -2 -6 6 -6 -5 7 -5 -6 -4 2 -6 4 0
4 0 2 1 6 4 0 4 5 1 5 4 4 6 4 4 2
628
hkl
1 6 6 4 5 3 2 2 3 2 0 1 1 6 2 4 3 7
Zeolites
28 45.01 45.02 45.02 45.22 45.28 45.45 45.46 45.64 45.71 46.09 46.10 46.21 46.50 46.54 46.77 46.78 47.04
d 2.014 2.014 2.014 2.005 2.003 1.996 1.995 1.988 1.985 1.969 1.969 1.965 1.953 1.951 1.942 1.942 1.932
16:323-802,
M
Ire1
4 2 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4
0.9 1.6 1.5 0.9 0.1 0.3 2.8 0.2 1.8 1.2 0.5 0.8 1.2 1.7 0.8 0.9 0.3
1996
h
k
-7 3 2 -7 0 5 6 -7 -2 -7 6 -4 -4 -2 -3 -7 1
3 5 2 3 4 5 2 3 6 1 4 6 6 0 1 3 1
28
d
47.35 47.46 48.02 48.05 48.23 48.32 48.49
1.920 1.916 1.894 1.893 1.887 1.884 1.877
M Ire1 2 4 4 4 4 4 4
0.4 1.3 0.8 0.1 0.1 0.3 0.6
20
d
M
Ire1
-4 3 -9 0 -4 -5 -7
hkl 8 9 3 8 0 1 5
2 0 2 2 4 4 3
48.74 48.92 49.06 49.09 49.22 49.69 49.97
1.868 1.862 1.857 1.856 1.851 1.835 1.825
4 4 4 4 2 4 4
0.5 1.2 0.6 0.1 0.7 1.0 0.8
h
k
1
28
d
M
Ire1
5 -8 0 -1 -8 4 5 -5 -6 -7 2 1 5 -1 -1
3 0 6 7 0 6 1 3 2 3 6 7 5 7 1
3 4 4 1 2 0 4 7 7 5 3 1 1 2 8
48.40 48.75 48.76 48.85 48.87 48.97 49.15 49.16 49.26 49.47 49.53 49.54 49.62 49.85 49.98
1.880 1.868 1.867 1.864 1.864 1.860 1.854 1.853 1.850 1.842 1.840 1.840 1.837 1.829 1.825
4 2 4 4 2 4 4 4 4 4 4 4 4 4 4
0.6 0.2 1.0 0.7 0.5 0.4 0.4 0.5 0.2 0.3 0.6 0.4 0.2 1.0 0.1
gallophosphate
1 3 3 6 2 6 0 2 4 4 6 0 2 1 8 8 1 7
26 47.07 47.17 47.19 47.24 47.40 47.43 47.61 47.82 47.84 47.86 47.88 48.00 48.03 48.09 48.16 48.33 48.40
d 1.931 1.927 1.926 1.924 1.918 1.917 1.910 1.902 1.901 1.900 1.900 1.895 1.894 1.892 1.889 1.883 1.881
M
Ire1
4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4
0.2 0.2 1.9 0.4 0.3 0.4 0.1 1.4 1.2 0.4 2.9 0.1 0.8 0.6 2.5 0.2 1.0
LOV
Lovdarite
h
k
1
26
d
5 14 17 10 18 15 18 14 7 6 8 7 11 9 10 16 15 15 16 18
3 1 1 2 0 2 1 2 1 3 1 3 2 3 0 0 1 2 2 1
1 2 1 2 1 0 0 1 3 1 3 1 2 0 3 2 2 1 0 1
42.68 42.81 42.89 42.93 43.04 43.09 43.17 43.19 43.20 43.38 44.14 44.20 44.25 44.29 44.36 44.54 44.64 45.00 45.03 45.08
2.118 2.112 2.109 2.107 2.102 2.099 2.096 2.095 2.094 2.086 2.051 2.049 2.047 2.045 2.042 2.034 2.030 2.014 2.013 2.011
M
8 8 8 8 4 4 4 8 8 8 8 8 8 4 4 4 8 8 4 8
IreI
hkl
4.2 4.6 0.1 0.4 0.7 2.9 0.1 4.0 3.3 3.1 0.4 3.0 2.6 1.8 2.5 1.5 8.2 3.4 1.0 3.4
8 9 19 12 20 9 1 10 2 3 0 1 16 2 13 4 10 19 3 11
3 1 1 2 0 3 2 1 2 2 3 3 2 3 2 2 3 1 3 1
1 3 0 2 0 1 3 3 3 3 2 2 1 2 2 3 1 1 2 3
20
d
45.13 45.20 45.47 45.67 45.86 46.16 46.28 46.35 46.46 46.76 46.81 46.87 46.88 47.05 47.17 47.17 47.30 47.31 47.35 47.60
2.009 2.006 1.995 1.987 1.979 1.966 1.962 1.959 1.955 1.943 1.941 1.938 1.938 1.931 1.927 1.927 1.922 1.921 1.920 1.910
M
8 8 4 8 2 8 8 8 8 8 4 8 8 8 8 8 8 8 8 8
I rel
h
k
1
28
d
M
IreI
3.8 1.4 0.1 0.6 6.1 1.4 1.5 3.1 0.3 0.6 2.5 0.5 5.1 0.1 0.5 11.7 1.2 0.4 2.4 1.5
20 5 4 20 12 5 6 17 11 18 14 17 6 12 18 7 13 20 12 8
0 2 3 1 3 3 2 1 3 0 2 2 3 1 2 2 3 1 3 2
1 3 2 0 0 2 3 2 1 2 2 1 2 3 0 3 0 1 1 3
47.68 47.70 47.76 47.80 48.08 48.29 48.35 48.47 48.53 48.61 48.75 48.82 48.92 48.94 49.07 49.10 49.53 49.57 49.85 49.96
1.907 1.906 1.904 1.903 1.892 1.885 1.883 1.878 1.876 1.873 1.868 1.866 1.862 1.861 1.857 1.855 1.840 1.839 1.829 1.826
4 8 8 4 4 8 8 8 8 4 8 8 8 8 4 8 4 8 8 8
1.1 1.0 3.7 1.6 0.6 1.4 3.2 8.2 1.8 2.4 2.3 1.9 2.5 4.8 2.4 1.6 1.5 3.6 2.8 2.5
Zeolites
16:323-602.
1996
629
LTN h
k
14 15 15 14 14 9 11 15 14 14 I1 11 13 13 16 13 13 15 15 12 12 16 11 14 12 13 13 15 16 16 15 15 12 16 11 13 13 17 12
6 1 3 2 6 9 11 3 4 6 7 11 1 9 0 3 9 3 5 4 10 2 11 6 8 5 9 5 2 4 3 7 12 4 11 1 11 1 12
630
Synthetic
1 0 3 1 6 2 9 1 3 6 4 9 3 9 1 0 9 3 5 3 10 4 2 5 6 8 9 5 5 4 2 7 3 0 4 7 11 1 1 2
Zeolites
20
d
37.06 37.31 37.31 37.39 37.39 37.96 37.96 37.96 38.36 38.36 38.60 38.60 38.60 38.60 39.00 39.24 39.24 39.24 39.24 39.32 39.32 39.63 39.86 39.94 40.25 40.48 40.48 40.48 40.56 40.56 41.09 41.09 41.47 41.47 41.70 41.70 41.70 41.70 41.77
2.426 2.410 2.410 2.405 2.405 2.370 2.370 2.370 2.346 2.346 2.332 2.332 2.332 2.332 2.309 2.296 2.296 2.296 2.296 2.291 2.291 2.274 2.261 2.257 2.240 2.228 2.228 2.228 2.224 2.224 2.196 2.196 2.177 2.177 2.166 2.166 2.166 2.166 2.162
16:323-802,
AJ Ire1 12 24 24 24 24 8 24 24 24 24 24 24 24 24 6 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 12 24 24 24 24 24 24
1996
0.1 0.3 0.6 0.4 0.4 3.1 0.2 0.3 0.2 0.3 0.6 0.3 0.5 0.3 2.0 0.1 0.3 1.3 1.5 0.3 0.3 0.3 0.3 0.5 0.2 0.3 0.3 1.8 0.9 0.8 0.7 0.3 9.0 0.5 2.1 0.2 0.1 0.9 1.3
h
k
16 16 13 13 13 15 15 17 17 10 15 17 12 14 13 13 16 16 11 15 17 17 12 16 16 16 18 13 15 14 14 13 17 17 12 14 14 18 13
2 6 7 9 11 5 7 1 3 10 9 3 10 10 5 11 0 8 11 7 3 5 12 2 8 6 0 9 9 6 10 13 5 7 10 2 12 2 13
1 6 2 9 7 3 7 5 3 1 10 1 3 8 4 11 5 8 0 9 7 5 3 6 8 2 6 2 9 5 10 6 1 5 1 10 12 2 3 3
28 42.07 42.07 42.29 42.29 42.29 42.29 42.29 42.29 42.29 42.37 42.88 42.88 32.96 43.25 43.47 43.47 43.83 43.83 44.04 44.04 44.04 44.04 44.12 44.12 43.12 44.40 44.40 44.61 44.61 -14.69 44.69 35.18 45.18 45.18 45.53 45.53 45.53 45.53 45.74
NaZ-21
d
hf
IreI
2.148 2.148 2.137 2.137 2.137 2.137 2.137 2.137 2.137 2.133 2.109 2.109 2.105 2.092 2.082 2.082 2.066 2.066 2.056 2.056 2.056 2.056 2.053 2.053 2.053 2.040 2.040 2.031 2.031 2.028 2.028 2.007 2.007 2.007 1.992 1.992 1.992 1.992 1.984
24 24 24 24 24 24 24 24 24 8 24 24 24 24 24 24 12 12 24 24 23 24 24 24 24 24 12 23 24 24 24 24 24 24 24 24 24 24 24
0.3 0.4 0.7 0.3 0.3 0.3 0.2 0.5 0.3 0.4 0.3 2.2 0.6 0.2 0.4 0.4 0.7 0.2 1.0 0.6 2.1 1.3 0.5 0.1 0.2 0.8 0.4 0.9 0.2 0.4 0.5 0.6 0.1 0.2 0.2 0.3 0.5 0.2 0.4
h
k
1
15 17 12 15 15 18 16 18 11 13 19 18 18 15 15 17 19 19 16 16 14 14 18 18 17 17 13 17 14 15 15 15 18 16 16 20 15 20
1 7 12 7 9 4 2 0 11 13 1 2 6 5 11 9 1 3 4 10 6 12 4 6 3 9 1s 7 14 1 7 11 6 0 12 0 3 2
11 3 8 9 7 4 10 6 11 5 1 6 2 11 5 1 3 1 10 4 12 6 6 -1 9 3 7 7 0 13 11 7 6 12 0 0 13 2
20 45.74 45.74 46.09 46.29 46.29 46.36 46.64 46.64 46.84 46.84 46.84 46.91 46.91 37.39 47.39 47.39 47.39 47.39 47.46 47.46 -17.73 47.73 47.73 47.73 47.93 -47.93 48.46 48.46 48.80 48.99 38.99 48.99 49.06 49.32 49.32 49.32 49.52 49.85
d
hf
IreI
1.984 1.984 1.969 1.961 1.961 1.958 1.947 1.947 1.939 1.939 1.939 1.937 1.937 1.918 1.918 1.918 1.918 1.918 1.916 1.916 1.906 1.906 1.906 1.906 1.898 I.898 1.X78 1.878 1.866 1.859 1.859 1.859 1.857 1.847 1.847 1.847 1.841 1.829
24 24 24 24 24 24 24 12 8 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 12 24 24 24 24 12 12 6 24 24
0.4 0.2 0.2 0.2 0.1 0.4 0.2 0.2 0.1 0.3 0.8 0.1 0.2 0.2 0.4 0.2 0.2 0.2 0.6 0.7 0.2 0.5 0.4 0.4 0.4 0.1 0.1 0.2 2.7 0.4 0.4 0.4 0.9 0.8 0.6 0.6 0.2 0.2
Tetrapropylammonium
hkl 6 51 5 61 8 0 2 2 0 8 5 2 3 0 0 3 2 5 3 6 4 7 13 7 3 811 3 7 181 8 2 2 8 3 2 2 3 7 0 5 3 3 5 7 13 6 5 17 4 0 0 6 6 14 8 0 8 3 16 3 3 4 7 18 4 2 3 81 7 51 2 8
0 5 0 4 5 5 4 3 0 5 2 2 0 0 5 5 3 4 4 2 3 5 4 2 0 4 5 2 2 5
2
28
d
M
Ire1
h
k
1
20
d
35.75 35.79 35.88 35.88 36.11 36.13 36.16 36.19 36.20 36.34 36.34 36.48 36.76 36.81 36.90 37.03 37.04 37.25 37.31 37.32 37.35 37.56 37.62 37.63 37.66 37.79 38.13 38.21 38.36 38.40 38.44 38.48 38.70 38.84 38.89 39.23 39.23 39.37 39.69
2.512 2.509 2.503 2.503 2.487 2.486 2.484 2.482 2.481 2.472 2.472 2.463 2.445 2.442 2.436 2.428 2.427 2.414 2.410 2.409 2.408 2.394 2.391 2.390 2.389 2.380 2.360 2.355 2.346 2.344 2.342 2.339 2.326 2.319 2.316 2.297 2.296 2.288 2.271
8 8 2 8 2 8 4 4 8 8 4 8 8 8 8 8 4 4 8 8 4 8 8 8 8 8 4 4 8 4 4 8 8 8 8 8 8 8 8
0.4 0.5 2.6 0.1 1.9 0.4 1.9 2.1 1.0 0.6 0.9 0.3 0.4 0.9 0.2 0.2 1.0 0.5 0.4 0.2 2.7 0.8 2.3 0.2 2.1 1.6 0.2 0.2 0.2 0.9 0.3 0.2 0.2 1.6 0.2 0.2 0.4 0.3 0.3
0 6 5 0 10 15 4 7 5 7 8 191 12 5 17 7 2 9 3 316 13 8 6 5 9 8 7 3 9 3 7 6 5 8 5 9 8 10 8
0 3 0 5
6 4 5 5 6 5
40.44 40.53 40.54 40.62 40.70 40.88 41.08 41.14 41.21 41.54 41.62 41.65 41.74 41.87 41.95 42.56 42.70 42.84 42.91 43.00 43.02 43.23 43.33 43.35 43.43 43.66 43.82 43.82 43.84 43.94 43.95 43.98 44.61 44.87 44.99 45.07 45.25 45.29 45.40
2.231 2.226 2.225 2.221 2.217 2.207 2.197 2.194 2.190 2.174 2.170 2.169 2.164 2.158 2.154 2.124 2.117 2.111 2.107 2.104 2.102 2.093 2.088 2.087 2.084 2.073 2.066 2.066 2.065 2.060 2.060 2.059 2.031 2.020 2.015 2.012 2.004 2.002 1.998
81 5 2 7 2 0 4 13 5 2 7 0 5
6 4 4 4 4 2 5 6
51 0 81 31 3 3 8 2 7 5 7 4 5 8 3 0 0 6
5 3 4 3 2 4 3 2 5 2 2 2 4 0 0
MFI
ZSM-5
M
2 8 4 4 4 8 8 8 8 4 8 8 8 8 8 8 8 4 8 8 8 8 4 8 8 8 8 8 8 8 8 8 8 8 8 8 4 2 4
Ire1
0.6 0.5 0.1 0.3 0.4 0.2 1.3 0.3 0.1 0.2 0.3 0.2 0.4 0.4 0.2 0.4 0.1 0.3 0.6 0.8 0.2 0.2 0.5 0.2 0.3 1.5 0.2 0.5 0.4 0.4 0.3 0.3 0.1 0.2 0.1 0.1 5.7 5.8 0.1
h
k
1
0 7 4 0 3 1 10 8 10 1 2 2 4 1 10 10 8 3 5 0 9 0 3 2 7 2 2 5 3 8 8 7 10 3 0 1 8
8 71 8 10 6 8 1 2 2 10 8 10 3 7 0 3 5 8 8 10 3 17 10 0 3 10 17 3 5 71 4 81 4 0 3 3 0
4
20
45.44 45.49 3 45.51 0 45.59 5 45.63 4 45.67 1 46.06 4 46.21 0 46.25 1 46.35 4 46.38 0 46.53 6 46.63 5 46.84 2 47.39 0 47.43 3 47.51 4 47.54 3 47.62 2 47.68 3 47.69 47.79 1 48.20 7 48.47 5 48.56 2 48.59 48.70 6 48.70 6 48.75 48.96 4 49.00 49.01 0 49.04 7 49.60 7 49.62 7 49.85 5 49.88
Zeolites
d 1.996 1.994 1.993 1.990 1.988 1.986 1.970 1.965 1.963 1.959 1.958 1.952 1.948 1.940 1.918 1.917 1.914 1.913 1.910 1.907 1.907 1.903 1.888 1.878 1.875 1.874 1.870 1.870 1.868 1.860 1.859 1.859 1.857 1.838 1.837 1.829 1.828
16:323-802,
M Ire1 4 8 8 2 8 8 8 8 4 8 8 4 8 8 4 4 8 8 8 4 8 4 8 4 8 8 8 8 8 8 8 8 4 4 4 8 4
1996
2.6 0.3 3.2 7.5 0.1 2.4 0.2 0.2 0.3 0.6 0.7 0.4 2.9 0.3 0.1 0.1 1.6 1.2 0.4 0.6 1.9 0.1 0.2 0.1 0.1 0.5 0.2 1.8 3.4 0.2 0.3 0.5 0.1 0.7 0.7 0.3 0.6
631
MFI h -1 1 -5 -3 0 3 -3 -1 3 -5 -1 1 -6 0 -5 -3 -6 0 -3 0 3 -3 -1 181 3 2 -3 0 -3 -5 -5 -7
632
Calcined
1
20
d
1 5 7 2 5 2 7 1 2 5 7 1 4 4 2 5 4 4 1 4 5 4 5 4 5 1 8 0 2 4 0 5 3 3 3 5 1 5 81 0 5 7 2 8 1
34.08 34.30 34.34 34.66 34.72 34.72 34.84 34.97 35.09 35.16 35.17 35.25 35.69 35.72 36.03 36.08 36.17 36.17 36.36 36.37 36.38 36.59 36.65 36.67 36.71 36.89 37.21 37.24 37.41 37.44 37.50 37.63
2.631 2.614 2.612 2.588 2.584 2.583 2.575 2.566 2.557 2.552 2.552 2.546 2.516 2.513 2.493 2.489 2.483 2.483 2.471 2.470 2.469 2.456 2.452 2.451 2.448 2.437 2.416 2.414 2.404 2.402 2.399 2.391
k
7 8 2 7 5 3 6 1
2 0 5 3 4 4 2 3
Zeolites
16:323-802,
M Irei 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 2 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4
1996
0.2 0.1 1.6 0.9 0.3 0.3 0.3 0.1 0.2 0.6 0.9 0.1 0.2 1.6 0.2 0.3 0.1 1.4 0.6 0.1 0.4 0.1 0.3 0.2 0.4 0.4 0.1 1.3 0.3 0.5 0.8 0.9
ZSM-5
h
k
1
28
d
M
&I
h
k
3 0 3 -7 3 -8 2 0 0 -8 -7 0 -5 1 2 -5 1 2 -5 -1 1 3 -3 0 -3 3 -3 2 3 0 0 3
5 8 8 4 8 3 4 0 16 4 5 7 2 8 0 5 2 7 3 3 3 16 9 6 8 8 7 9 7 10 8 3
4 2 0 2 1 1 5 6
37.65 38.26 38.30 38.70 38.94 39.18 39.32 40.49 40.74 41.01 41.06 41.45 41.46 41.53 41.65 41.67 41.83 42.55 42.72 42.97 43.07 43.23 43.24 43.29 43.46 43.62 43.64 43.71 43.85 45.09 45.14 45.16
2.389 2.353 2.350 2.327 2.313 2.299 2.291 2.228 2.214 2.201 2.198 2.178 2.178 2.175 2.169 2.167 2.160 2.124 2.117 2.105 2.100 2.093 2.092 2.090 2.082 2.075 2.074 2.071 2.065 2.011 2.009 2.008
4 4 4 4 4 4 4 2 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4
0.7 0.2 0.2 0.4 0.1 0.1 0.3 0.3 0.3 0.2 0.2 0.7 0.1 0.2 0.2 0.1 0.1 0.3 0.1 0.4 0.1 0.2 0.2 0.3 0.3 0.4 0.3 0.3 0.1 3.2 3.4 0.3
-8 -8 -6 -8 -2 2 -8 - .lO -3 -7 3 -5 -8 -8 -3 10 3 -1 - .lO 0 -5 -3 3 -1 -4 -8 0 -3 0 -3 -2 -1
0 4 3 1 8 10 2 1 4 1 4 8 3 5 9 0 9 0 2 2 3 5 7 2 8 7 9 0 3 1 9 8
1 2 4 5 3 6 4 6 4 5 6 6 1 5 3 3 4 2 4 0 4 6
1 4 3 5 4 4 0 4 1 6 5 6 3 4 3 3 2 3 7 2 7 6 6 5 7 4 1 4 7 7 7 4 5
2t)
d
M
&I
45.22 45.32 45.40 45.45 46.03 46.05 46.16 46.32 46.50 46.60 46.80 47.28 47.32 47.42 47.48 47.57 47.62 47.79 48.48 48.52 48.54 48.56 48.62 48.70 48.78 48.88 49.05 49.52 49.64 49.74 49.89 49.98
2.005 2.001 1.997 1.995 1.972 1.971 1.966 1.960 1.953 1.949 1.941 1.922 1.921 1.917 1.915 1.911 1.909 1.903 1.878 1.876 1.875 1.875 1.872 1.870 1.867 1.863 1.857 1.841 1.837 1.833 1.828 1.825
2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 2 4 4 4 4 4 4 4 4 4 2 4 4 3 4
0.9 1.1 0.1 0.2 0.4 0.2 0.1 0.2 1.4 0.1 0.8 0.8 0.3 0.1 0.6 0.2 0.8 0.1 0.1 0.3 1.4 0.2 0.1 0.1 0.1 0.1 0.1 0.1 0.3 0.2 0.1 0.2
Ammonium
hlc -3 019 0 317 -3 12 -1 11 -1 -4 32 -3 50 02 32 -3 510 51 -5 12 22 -2 41 219
1 0
8
0
10
1
7 5 5 9 9 5 1 1 4 6 2 2
2 1 1 2
2
1 1 6 5 5 6
1
2
28
d
M
Ire1
41.52 41.84 41.98 42.15 42.25 42.43 42.45 42.64 42.68 42.72 43.71 43.72 43.98 44.00 44.34 44.36 44.52 44.72 44.74 44.78 44.81 44.85 44.96 45.00
2.175 2.159 2.152 2.144 2.139 2.130 2.129 2.120 2.119 2.117 2.071 2.070 2.059 2.058 2.043 2.042 2.035 2.026 2.026 2.024 2.023 2.021 2.016 2.014
2 4 2 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4
0.4 0.3 0.8 0.5 0.4 0.3 0.2 0.4 0.6 0.5 1.1 1.9 0.1 3.2 0.8 1.0 3.0 0.2 0.2 0.2 1.5 1.2 3.2 0.6
hk 30 -4 -2 2 -2 512 -5 32 -3 -3 50 0 -5 513 -5 1 -1 32 -3 22 -2 12 417 -4
fluoride
1 1 1 0 0 1 2 1 1 0 1 1 1 2 2
1
9 6 9 10 10 2 3 3 8 5 10 5 3 10 10 4 4 6 6 7 7
28
d
45.06 45.06 45.08 45.13 45.22 45.33 45.37 45.37 45.41 45.44 45.85 45.87 45.95 46.35 46.41 46.61 46.65 46.80 46.85 47.06 47.11 47.43 47.60 47.71
2.012 2.012 2.011 2.009 2.005 2.001 1.999 1.999 1.997 1.996 1.979 1.978 1.975 1.959 1.957 1.948 1.947 1.941 1.939 1.931 1.929 1.917 1.910 1.906
Calcined
hlc -10 914 -1 11 62 -11 -8 -8
1 0 1 1 1 2 2
10 11 0 3 7 1 4
28 45.69 45.72 45.79 45.87 46.30 46.42 46.88 47.01
d 1.986 1.984 1.981 1.978 1.961 1.956 1.938 1.933
M Ire1 2 4 4 4 4 4 4 4
0.4 1.3 0.1 0.7 0.5 0.5 0.8 1.8
hk -2 -12 11 -9 -4 82 3 62
1 2 0 1 1 2 1
8 8 1 10 8 0 10 4
28 47.02 47.17 47.19 47.28 47.36 47.53 47.72 48.13
MTT
ZSM-23
M Ini 2 4 4 2 2 4 4 4 4 4 2 4 2 4 4 4 4 4 4 4 4 4 4 4
0.2 0.6 0.8 1.4 1.7 0.1 0.4 0.2 0.4 0.5 1.0 0.8 0.9 0.1 0.2 0.5 1.0 1.3 1.1 0.1 0.3 0.3 0.9 0.4
hk 514 -5 50 -5 32 -3 319 42 -3 -2 42 -4 60 2 -2 -5 42 -4 02 -2 60 -6
1 1
47.74 47.82 48.05 48.17 48.58 48.64 48.75 48.84 48.86 48.90 49.03 49.04 49.12 49.34 49.42 49.59 49.60 49.63 49.65 49.67 49.87 49.91
4 6 6 5 5
0 2
0 9 10 1 1 0 11 11 5 2 2 8 7 2 2
1 1 2 0 0 1 2 2 0
d
28
1.905 1.902 1.893 1.889 1.874 1.872 1.868 1.865 1.864 1.862 1.858 1.857 1.855 1.847 1.844 1.838 1.838 1.837 1.836 1.836 1.829 1.827
4 4 2 2 4 4 4 4 4 4 4 4 2 2 2 4 4 4 4 4 2 2
0.6 0.5 2.3 2.4 1.8 1.2 0.5 0.7 0.6 0.1 0.4 0.4 0.3 3.5 3.1 0.2 0.4 0.3 1.1 1.0 0.9 0.9
MTW
ZSM-12 d 1.933 1.927 1.926 1.922 1.919 1.913 1.906 1.890
M Ire1 4 2 4 4 4 4 4 4
0.6 0.2 0.2 0.8 0.1 0.5 1.0 1.2
hk 915 42 519 12 -1 - .ll 82 -9
1 6 0 1 1 1
2 12 9 2 11
Zeolites
28 48.21 48.28 48.62 49.13 49.63 49.64 49.82 49.93
16:323-602,
d 1.888 1.885 1.873 1.854 1.837 1.836 1.830 1.827
M Ire1 4 4 4 2 4 4 4 4
1996
0.1 0.1 0.2 0.1 0.9 0.5 0.2 0.4
633
NAT h
k
2 4 7 6 3 5 4 9 1 8 3
1
22 26 17 14 9 23 20 3 13 16 11
2 0 I 2 3 1 2 1 3 0 3
28
d
Al
45.91 46.09 46.11 46.36 46.48 46.48 46.79 46.79 46.83 47.11 47.64
1.976 1.969 1.969 1.958 1.954 1.954 1.942 1.942 1.940 1.929 1.909
8 4 8 8 8 8 8 8 8 4 8
Ire,
h
k
1
28
d
nr
Ire,
h
k
0.7 0.5 0.3 1.4 5.8 0.8 1.3 2.1 0.9 0.1 1.8
3 7 1 8 2 6 5 8 9 1 3
27 19 15 2 24 24 3 4 91 29 13
1 1 3 2 2 0 3 2
47.88 48.19 48.44 48.48 48.57 48.67 48.76 48.81 48.85 48.90 49.00
1.900 1.888 1.879 1.878 1.874 1.871 1.867 1.866 1.864 1.862 1.859
8
1.8 0.3 2.2 0.1 1.0 0.4 4.5 1.6 1.7 0.2 0.2
8 4 5 5 2 8 10 5 9 10
18 28 5 25 30 6 2 7 11 4
h
k
1
28
-4 -7 -2 1 -I 7 -1 0 -5 -3 -7 -4 -7 -2 -1 -5 -1 1 -3 3 -2 -1 0 -7 -7 -6 -3 -5 -1 -7 -2 -4 1 -6
9 0 10 10 6 9 0 7 10 3 3 3 11 11 8 5 11 3 6 11 8 7 4 1 1 4 11 8 11 5 11 5 11 7
5 12 1 1 9 5 6 10 6 11 11 10 3 3 9 7 0 10 0 2 6 5 10 13 13 10 5 10 4 11 1 11 1 11
2 -5
3 7
-<‘3 3
5 4
45.26 45.27 45.29 45.31 45.32 45.37 45.47 45.98 46.00 46.02 46.26 46.39 46.41 46.43 46.43 46.57 46.58 46.67 46.74 47.16 47.38 47.45 47.69 47.72 47.81 47.97 48.74 48.75 48.95 48.97 49.18 49.20 49.20 49.51 49.55 49.58 49.59 49.62
1 3
NES h
k
1
28
5 8 3 6 0 6 1 6 6 2 4 9 9 8 6 4 8 1 8 4 7
8
34.93
634
0 0 3 1 0 2 0 3 1 0
28
d
49.05 49.19 49.21 49.22 49.25 49.38 49.64 49.88 49.97 49.97
1.857 1.852 1.851 1.851 1.850 1.846 1.837 1.828 1.825 1.825
hf
Ire1
4
0.9 0.2 1.1 0.6 5.5 2.5 0.2 2.4 0.1 0.1
4 8 8 4 8 4 8 8 4
NU-87
-4 -2 2 2 -5 -4 -5 -3 1 -5 2 -1 0 -3 -4 -5 -3 -5 -1 -1 -4 01 18 -4 0 -4 -3 -3 2 -1 -4 0 -5 0 3 -6 3 -2
7 2 5 8 5 5 7 2 9 3 3 0 2 1 2
8 8 8 8 4 8 8 8 8 8
1
4 1 0 10 5 10 2 2 10 1 1 1 5 8 6 4 5 4 6 6 5 1 7 5 9 6 1 1 5 10 2 5 5 0 8 0 8
35.13 35.18 35.64 35.79 35.83 36.02 36.34 36.41 36.71 36.80 36.92 36.93 37.37 37.47 37.51 37.56 37.59 37.62 37.71 37.74 37.80 37.93 38.27 38.46 38.65 38.73 38.76 38.80 38.88 39.16 39.24 39.34 39.54 39.58 39.71 39.79 39.97
Zeolites
d 2.568 2.555 2.551 2.519 2.509 2.506 2.494 2.372 2.467 2.448 2.442 2.435 2.434 2.406 2.400 2.398 2.395 2.393 2.391 2.385 2.383 2.380 2.372 2.352 2.340 2.329 2.325 2.323 2.321 2.317 2.300 2.296 2.290 2.279 2.277 2.269 2.266 2.256
16:323-802,
iv Ire1 4 4 4 4 2 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4
0.2 1.1 0.2 0.6 3.8 0.6 0.2 0.3 0.2 2.1 0.2 0.2 0.4 0.4 0.6 0.1 0.9 0.8 1.0 0.2 0.4 0.6 0.1 0.2 0.2 0.1 0.6 0.4 0.3 0.2 0.2 0.1 0.7 0.2 0.2 0.3 0.2 0.1
1996
h
k
1
20
d
-5 -6 -4 -5 -4 -2 0 2 -3 -5 0 3 -3 -5 -4 -5 -5 1 1 0 3 -2 -6 -3 -6 -5 2 0 -5 -7 3 -4 -5 -4 17
6 3 0 4 6 3 10 2 9 5 7 3 8 6 8 3 0 0 10 5 4 10 5 5 0 6 4 8 7 1 5 1 6 7
-6
5 5 0
7 10 2 5 9 8 1 2 4 10 4 0 7 6 5 11 4 4 0 5 0 4 9 9 12 10 2 4 6 11 0 11 5 3 3 11 11 6
40.03 40.07 40.20 40.82 40.99 11.02 11.03 41.13 41.20 41.25 41.33 41.46 41.51 41.77 41.91 41.98 42.13 42.31 42.51 42.85 42.88 42.91 42.98 43.18 43.27 43.47 43.55 44.33 44.36 44.49 44.65 44.73 44.82 44.91 45.02 45.06 45.14 45.22
2.252 2.250 2.243 2.211 2.202 2.200 2.200 2.195 2.191 2.189 2.184 2.178 2.176 2.162 2.156 2.152 2.145 2.136 2.126 2.110 2.109 2.108 2.105 2.095 2.091 2.082 2.078 2.043 2.042 2.036 2.029 2.026 2.022 2.018 2.014 2.012 2.008 2.005
-5 -6
iv IreI 4 4 2 4 4 4 4 4 4 -1 4 4 4 4 4 4 2 2 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 2
0.1 0.1 0.3 0.4 0.1 0.1 0.1 0.1 0.3 0.7 0.2 0.1 0.1 0.1 0.5 0.1 0.2 0.1 0.4 0.3 0.6 0.3 0.5 0.5 1.0 0.2 0.2 0.2 0.2 0.4 0.8 0.4 0.2 0.2 0.1 0.2 0.3 0.3
-3
3 11 10 1
d 2.004 2.003 2.002 2.001 2.001 1.999 1.994 1.974 1.973 1.972 1.963 1.957 1.957 1.956 1.956 1.950 1.950 1.946 1.944 1.927 1.919 1.916 1.907 1.906 1.903 1.897 1.868 1.868 1.861 1.860 1.853 1.852 1.852 1.841 1.840 1.839 1.838 1.837
4 2 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4
0.6 0.2 0.4 0.2 0.1 0.5 0.5 0.1 0.1 0.2 0.2 0.1 0.2 0.1 0.2 0.1 0.2 0.2 0.9 0.3 0.1 0.3 0.6 0.2 0.3 0.9 0.1 1.1 0.2 0.4 0.3 0.5 0.3 0.1 0.1 0.2 0.3 0.2
PAU
Paulingite
h 10 14 10 14 10 11 14 11 12 13 14 10 12 14 11 12 11 14 12 12 15 14 14 15 14 12 13 10 14 11 11 12 15 12 11 14 14 12
k 10 2 10 2 9 9 3 8 8 6 3 10 6 4 9 7 10 5 8 9 1 4 5 2 6 9 7 10 6 9 11 7 4 8 11 5 7 10
1 0 0 2 2 5 2 1 5 2 3 3 4 6 2 4 5 1 1 4 1 0 4 3 1 0 3 4 6 2 6 0 7 1 6 2 5 1 2
26 36.20 36.20 36.57 36.57 36.76 36.76 36.76 37.12 37.31 37.49 37.49 37.67 37.67 37.67 37.85 37.85 38.21 38.21 38.39 38.57 38.57 38.74 38.92 38.92 39.10 39.27 39.27 39.45 39.45 39.62 39.96 39.96 39.96 40.14 40.31 40.31 40.31 40.48
d 2.482 2.482 2.457 2.457 2.445 2.445 2.445 2.422 2.410 2.399 2.399 2.388 2.388 2.388 2.377 2.377 2.355 2.355 2.345 2.334 2.334 2.324 2.314 2.314 2.304 2.294 2.294 2.284 2.284 2.275 2.256 2.256 2.256 2.247 2.237 2.237 2.237 2.228
M Ire1 12 24 24 24 48 48 48 48 48 48 24 24 24 48 48 48 48 48 48 48 24 24 48 48 24 48 48 24 48 48 12 24 48 48 24 24 48 48
3.1 0.8 0.5 0.4 3.8 2.3 1.2 0.2 0.2 0.2 0.2 0.1 0.4 0.4 0.2 0.1 0.3 1.7 0.4 0.2 0.5 0.3 2.4 0.4 1.7 0.2 0.7 1.1 2.1 0.2 3.0 0.4 0.4 0.5 0.3 0.2 2.8 0.2
h 12 15 16 11 13 16 14 16 15 10 14 12 15 14 11 14 15 12 16 11 13 13 12 12 13 15 16 17 12 13 14 17 16 17 12 11 13 17
k 9 4 0 11 8 1 8 2 6 10 8 11 5 6 10 7 6 11 3 11 10 9 12 11 11 7 5 1 12 11 7 2 6 3 12 11 11 4
1 5 3 0 4 5 1 0 0 1 8 2 1 4 6 7 5 3 3 3 6 3 6 0 5 0 4 3 0 2 2 7 1 2 0 4 8 4 1
20
d
M
Ire1
h
k
1
20
40.65 40.65 41.16 41.32 41.32 41.32 41.49 41.49 41.66 41.82 41.82 41.99 41.99 42.15 42.32 42.32 42.32 42.65 42.65 42.97 42.97 43.62 43.78 43.94 43.94 43.94 43.94 43.94 44.10 44.25 44.25 44.25 44.41 44.57 45.04 45.20 45.20 45.20
2.220 2.220 2.193 2.185 2.185 2.185 2.176 2.176 2.168 2.160 2.160 2.152 2.152 2.144 2.136 2.136 2.136 2.120 2.120 2.105 2.105 2.075 2.068 2.061 2.061 2.061 2.061 2.061 2.054 2.047 2.047 2.047 2.040 2.033 2.013 2.006 2.006 2.006
48 48 6 24 48 24 24 24 48 24 48 48 48 24 48 48 48 48 24 24 48 48 12 48 24 48 48 24 24 48 24 48 48 24 24 24 48 48
0.3 0.1 0.7 0.4 0.2 0.6 0.3 0.2 0.3 0.4 0.1 0.5 0.2 0.8 0.5 0.5 0.3 0.2 0.1 2.1 0.2 0.2 1.1 1.9 0.6 0.1 0.1 0.8 0.5 0.6 5.0 2.4 0.2 1.0 1.6 1.4 4.7 0.2
12 16 15 14 17 14 17 16 13 18 14 18 18 18 15 17 18 16 13 15 14 18 13 14 15 14 12 16 13 17 18 17 16 18 19 14 17 19
10 6 7 10 5 11 5 8 12 0 11 1 2 2 10 6 3 8 13 8 12 4 13 11 9 12 11 9 10 6 5 7 10 5 1 13 9 3
8 4 6 4 0 1 2 0 3 0 3 1 0 2 3 3 1 4 0 7 0 0 2 5 6 2 9 3 9 5 1 4 0 3 0 1 0 0
45.35 45.35 45.51 45.66 45.82 46.12 46.12 46.28 46.43 46.58 46.74 46.74 46.89 47.19 47.34 47.34 47.34 47.49 47.64 47.64 47.79 47.79 47.94 47.94 47.94 48.09 48.24 48.24 48.53 48.53 48.53 48.83 48.97 49.12 49.41 49.70 49.99 49.99
d 2.000 2.000 1.993 1.987 1.980 1.968 1.968 1.962 1.956 1.950 1.944 1.944 1.938 1.926 1.920 1.920 1.920 1.914 1.909 1.909 1.903 1.903 1.898 1.898 1.898 1.892 1.887 1.887 1.876 1.876 1.876 1.865 1.860 1.855 1.844 1.834 1.824 1.824
hkl
28
d
49.22 49.33 49.35 49.42 49.43 49.59 49.72 49.93
1.851 1.847 1.846 1.844 1.844 1.838 1.834 1.827
M Ire1 48 48 48 48 24 48 48 24 48 6 48 24 24 24 48 48 48 48 12 48 24 24 24 48 48 48 48 48 48 48 48 48 24 48 24 48 24 24
0.3 0.3 0.4 1.3 0.1 0.8 0.3 0.2 1.3 0.6 2.3 0.1 1.3 0.4 0.7 0.8 0.2 0.3 0.8 0.3 0.3 0.3 0.1 0.3 0.1 0.3 0.6 0.1 0.3 0.5 0.4 0.6 0.3 0.1 1.5 0.4 0.8 0.8
Phillbsite
h
k
1
-3 -3 4 -4 -5 -5 -4 -4 -5
5 3 3 4 2 0 4 1 0 2 0 3 4 3 2 4 1 2
28
d
M
Are1
hkl
46.25 46.28 46.28 46.40 46.40 46.52 46.58 46.64 46.86
1.963 1.962 1.961 1.957 1.957 1.952 1.950 1.947 1.939
4 4 4 4 2 2 4 4 4
3.7 1.5 3.3 0.2 3.9 4.6 1.5 2.1 0.4
-5 12 -3 -3 -5 -5 4 -4 3
1 6 6 2 2 3 5 41
3 3 1 2 2 3 0 2
28
d
M
Ire.1
46.97 46.98
1.934 1.934 1.914 1.911 1.887 1.883 1.875 1.868 1.855
4 4 4 4 4 4 4 4 4
2.4 0.3 1.3 3.8 2.0 0.3 1.1 0.2 1.2
47.51 47.58 48.22 48.32 48.55 48.76 49.11
13 2 171 -1 -3 -2 0 2
4
3 2
7 4 4 5 7
2 4 4 3 0
Zeolites
16:323-602,
M Ire1 4 4 4 4 4 4 4 4
0.4 0.2 0.6 0.1 0.4 1.1 8.5 0.1
1996
635
PHI
Harmotome
h
k
1
28
d
M
Ire1
0 -3 -1 3 -5 -3 -5 -4 3 -2 4 2
6 3 7 3 0 5 0 2 5 3 2 3
2 4 1 1 3 3 2 4 0 4 0 2
46.16 46.22 46.31 46.35 46.37 46.39 46.42 46.46 46.47 46.49 46.59 46.60
1.966 1.964 1.960 1.959 1.958 1.957 1.956 1.955 1.954 1.953 1.949 1.949
4 4 4 4 2 4 2 4 4 4 4 4
2.5 2.9 0.9 0.8 1.3 1.0 3.9 3.1 1.8 0.1 6.7 1.9
hkl -4 -4 0 -5 -1 1 -3 -3 -5 -5 -4 4
4 4 7 1 2 2 6 6 2 2 3 3
3 1 1 3 4 3 2 1 3 2 4 0
28
d
46.60 46.67 46.74 46.84 47.27 47.32 47.88 47.91 48.23 48.27 48.76 48.90
1.949 1.946 1.944 1.940 1.923 1.921 1.900 1.899 1.887 1.885 1.867 1.863
M
Ire1
h
k
4 4 4 4 4 4 4 4 4 4 4 4
1.3 0.2 0.4 1.2 1.9 3.0 1.6 2.5 0.3 0.2 0.4 0.1
-4 -3 -1 3 1 -2 2 -2 -5 2
5 4 3 4 3 4 4 6 0 6
1
28
2 4 4 1 3 4 2 3 4 1
48.97 49.44 49.54 49.56 49.60 49.70 49.80 49.88 49.92 49.95
d 1.860 1.843 1.840 1.839 1.838 1.835 1.831 1.828 1.827 1.826
M
Ire1
4 4 4 4 4 4 4 4 2 4
0.5 1.8 1.0 0.3 0.9 1.6 1.2 0.5 1.2 1.4
RUB-17
h
k
1
28
-3 -2 1 0 2 -3 3 -2 -2 2 2 3 2 -3 -1 0
1 2 9 20 12 3 11 4 16 0 16 1 2 5 19 12
2 3 3 0 2 2 0 3 1 3 1 2 3 2 1 3
44.42 44.42 44.44 44.68 44.74 44.89 44.91 45.12 45.19 45.56 45.65 45.79 45.79 45.82 45.92 45.94
636
Zeolites
d 2.039 2.039 2.039 2.028 2.026 2.019 2.018 2.009 2.006 1.991 1.987 1.982 1.982 1.980 1.976 1.976
16:323-602,
M
1x1
4 4 4 2 4 4 4 4 4 2 4 4 4 4 4 4
2.9 3.5 1.7 0.7 0.1 1.0 1.3 0.3 3.5 1.3 1.3 0.7 1.9 1.3 0.7 1.7
1996
h
k
1
28
d
M
IreI
h
k
-1 1 3 -2 -3 0 1 -2 -1 3 3 -3 0 1 2 2
11 19 3 6 11 20 11 14 17 11 5 7 18 17 18 6
3 1 2 3 1 1 3 2 2 1 2 2 2 2 0 3
46.08 46.15 46.25 46.28 46.36 46.47 46.75 46.84 46.98 47.03 47.16 47.19 47.41 47.42 47.54 47.61
1.970 1.967 1.963 1.962 1.959 1.954 1.943 1.940 1.934 1.932 1.927 1.926 1.918 1.917 1.913 1.910
4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4
1.6 6.4 2.8 3.4 0.6 1.4 0.2 1.1 0.7 0.7 0.4 0.4 3.1 0.3 4.3 3.0
3 2 -2 3 -1 1 0 -3 -2 -3 1 2 3 -2 0
13 14 8 7 13 21 14 9 18 13 13 18 13 10 0
1 0 2 3 2 3 0 3 2 1 1 3 1 1 3 4
28 47.66 47.72 47.86 48.50 48.78 48.80 48.86 48.97 49.03 49.04 49.42 49.46 49.68 49.84 49.94
d 1.908 1.906 1.900 1.877 1.867 1.866 1.864 1.860 1.858 1.857 1.844 1.843 1.835 1.830 1.826
M
IreI
4 4 4 4 4 4 4 4 4 4 4 4 4 4 2
0.7 2.5 1.6 3.4 0.1 0.2 0.3 1.4 1.3 1.5 2.5 1.5 0.8 0.2 2.4
RUB-10
0 3 5 6 3 1 3 6 2 2 3 2 1
28 43.09 43.34 43.91 43.97 44.14 44.16 44.21 44.52 44.60 44.61 44.77 44.87 44.94
d 2.099
1
28
d
h
k
1
5 -3 1 -2 -6 4 3 -3 4 -1 1 -4 -6
3 5 1 0 2 4 3 1 3 6 5 5 2
h
k
2 4 -6 4 0 -1 1 -6 -6 -6 -2 -1
6 6 0 4 4 9 9 2 4 2 8 1
2 0 1 1 4 1 0 5 2 1 3 5
44.88 45.03 45.04 45.43 45.43 45.53 45.55 45.69 45.88 46.19 46.64 46.68
2.088 2.062 2.059 2.051 2.051 2.049 2.035 2.032 2.031 2.024 2.020 2.017
2.020 2.013 2.013 1.997 1.996 1.992 1.992 1.986 1.978 1.965 1.947 1.946
RUT
SiOz framework
h
k
1
28
d
M
Ire1
h
k
1
28
d
M
Ire1
0.1 0.5 1.9 0.4 0.3 0.2 0.2 0.4 0.1 0.3 0.6 0.6 0.9
-4 6 -1 -6 -1 -3 3 2 5 1 -6 5 0
0 0 1 2 5 2 1 6 3 6 0 1 5
6 0 6 4 4 6 4 1 1 2 5 2 4
45.23 45.25 45.92 45.98 46.04 46.24 46.46 46.60 46.65 46.83 46.97 47.05 47.58
2.005 2.004 1.976 1.974 1.971 1.963 1.954 1.949 1.947 1.940 1.935 1.931 1.911
2 2 4 4 4 4 4 4 4 4 2 4 4
0.2 0.2 0.5 0.2 1.1 0.1 1.4 0.6 0.4 0.3 0.8 1.5 0.2
4 -5 0 3 3 1 4 2 -3 -6 -7 2
2 3 0 5 4 3 4 1 3 2 1 6
3 5 6 2 3 5 2 5 6 5 2 2
47.61 47.63 47.97 47.99 48.18 48.44 48.54 48.61 49.01 49.17 49.43 49.78
1.910 1.909 1.896 1.896 1.889 1.879 1.876 1.873 1.859 1.853 1.844 1.831
4 4 2 4 4 4 4 4 4 4 4 4
0.5 0.2 0.2 0.5 0.2 0.4 0.8 0.1 2.0 0.3 0.4 0.2
M Ire1
h
k
1
28
d
M
Ire1
1 -7 -7 -2 3 -1 1 -4 3 -5 -4 -5
1 1 1 4 7 9 9 8 5 7 0 5
4 4 3 5 1 2 1 2 2 3 6 5
48.89 48.95 49.20 49.23 49.27 49.29 49.31 49.48 49.50 49.65 49.72
1.863 1.861 1.852 1.851 1.849 1.849 1.848 1.842 1.841 1.836 1.834
4 4 4 4 2 4 4 4 4 4 4
0.2 0.6 1.3 0.8 0.1 0.1 1.4 0.8 0.2 1.8 0.3
kf
Ire1
4 4 4 2 4 4 4 4 4 4 4 4 4
4 4 2 4 4 4 4 4 4 4 4 4
0.1 0.4 1.2 2.4 0.7 0.3 0.2 0.9 2.1 0.2 0.5 0.4
28
46.87 47.12 47.26 47.29 47.83 47.88 47.94 48.00 48.25 48.54 48.64 48.70
d
1.939 1.929 1.923 1.922 1.902 1.900 1.898 1.895 1.886 1.876 1.872 1.870
M Ire1
hkl
4 4 4 4 4 4 4 4 4 4 2 4
0.3 0.9 0.1 1.1 0.1 0.9 1.8 2.6 1.9 4.6 0.6 3.6
-1 -5 5 -4 4 -7 -7 -3 -6 5 -4
3 1 5 8 0 1 3 9 4 1 2
5 6 0 1 2 5 4 2 1 1 6
M
Ire1
h
k
1
28
4 8 8 8 8
1.6 1.1 4.5 1.1 0.2
6 7 7 3 4
4 3 1 9 2
4 1 3 1 8
49.23 49.38 49.47 49.60 49.87
Barrerite
h
k
1
28
1 0 3 1 2
1 9 5 9 1
9 3 7 3 9
46.56 47.49 47.94 47.98 48.05
d
1.951 1.915 1.898 1.896 1.893
M
8 4 8 8 8
Irel
h
k
1
28
0.1 0.1 0.1 1.0 0.2
4 5 5 5 4
8 7 5 1 8
0 1 5 7 2
48.07 48.64 48.90 49.17 49.21
d
1.893 1.872 1.862 1.853 1.851
Zeolites
d
1.851 1.846 1.843 1.838 1.829
16:323-602,
M
Ire1
8 8 8 8 8
0.6 0.3 0.9 0.2 0.7
1996
637
VNI
VPI-9
hk
1
20
d
hl
I rel
hk
32 32 3 3 32 32 1 2 1 32 32 2 3 3 32 2 2 32 3 0 1 32 3 2 32 2 2 3 3 3 1 3 2 3 2 2 3 3 3 40 3 40 1 40 2 3 2 40 40 3 3 40 2 40 3 410 4
1
1
32.67 32.69 32.72 32.73 32.76 32.88 32.89 32.93 32.99 33.04 33.24 33.34 33.34 33.45 33.49 33.58 33.73 33.79 34.00 34.08 34.10 34.13 34.19 34.40 34.50 34.56 34.59 34.69 34.92 34.97 35.32 35.38 35.41 35.41 35.47 35.61 35.77 35.88 36.16 36.36 36.41 36.44 36.50 36.55 36.56 36.60 36.66 36.70 36.88 36.94 36.98 37.11 37.19 37.38 37.45 37.52 37.54
2.741 2.739 2.737 2.736 2.734 2.724 2.723 2.720 2.715 2.711 2.695 2.687 2.687 2.679 2.675 2.669 2.657 2.653 2.637 2.630 2.630 2.627 2.622 2.607 2.599 2.596 2.593 2.586 2.569 2.566 2.541 2.537 2.535 2.535 2.530 2.521 2.510 2.503 2.484 2.471 2.468 2.465 2.462 2.459 2.458 2.455 2.451 2.449 2.437 2.433 2.431 2.422 2.417 2.405 2.401 2.397 2.396
8 16 16 8 16 16 8 8 8 16 16 8 16 8 16 16 8 16 16 2 8 16 8 8 16 8 16 16 16 8 8 16 8 16 8 16 8 16 16
0
0 1 13 15 2 3 26 17 25 4 5 23 14 16 6 22 18 7 15 28 27 8 17 24 9 19 23 16 10 18 27 11 20 17 25 24 19 12 18 0 13 2 28 3 26 20 25 4 5 19 14 6 22 7 21
0.3 0.3 2.3 2.7 0.3 0.4 2.5 1.5 0.4 7.8 2.2 1.9 21.4 49.4 1.4 5.0 17.7 3.6 1.1 0.3 0.2 8.8 1.5 1.2 0.7 0.2 0.3 4.2 0.7 1.4 0.1 0.7 5.9 0.5 2.2 3.8 1.4 4.1 14.6 4.5 1.6 0.1 0.1 0.1 0.1 0.3 1.5 1.5 0.6 2.4 5.0 0.4 6.6 0.2 4.4 0.2 1.7
3 412 1 40 2 3 1 414 41 40 2 3 416 3 417 3 33 33 33 2 2 41 33 3 1 33 2 0 33 4 3 4 33 3 4 3 33 2 33 4 1 3 33 3 3 4 3 4 4 42 2 42 2 3 3 1 42
1 0
0 2 1
0 1 0 1 2 1 0 0 0 0 2 1 1 2 0 1 2 2 1 0 1 0 2 1 2 1 0 0 1
1 2 2
638
Zeolites
16:323-802.1996
16 8 8 8 8 8 16 8 8 16 16 8 8 8 8 8 16
1 2
15
1 1 1 0
29 8 26 20 30
2 2
5 9 23 16
0
22
1
21 0 1 2 28 27 8 3 17 30 4 24 32 5 9 23 12 6 22 10 18 7 28 8 11 31 24 9 19 23 12 10 13 15 2 29 3 26 20 24 32 5
0 1
2 1 2 0 1 0 0 1 1 2 1 1 1 0 2 1 1 3 1 0 1 2 2 1 1
20
d
37.58 37.60 37.68 37.69 37.72 37.75 37.76 37.85 38.03 38.04 38.12 38.21 38.25 38.33 38.52 38.58 38.65 38.67 38.73 38.78 38.79 38.82 38.83 38.88 38.88 38.97 39.06 39.14 39.15 39.16 39.23 39.31 39.37 39.44 39.53 39.57 39.62 39.88 39.92 39.95 40.08 40.16 40.25 40.29 40.32 40.39 40.62 40.88 40.88 40.91 40.98 41.00 41.01 41.05 41.23 41.30 41.31
2.393 2.392 2.387 2.387 2.385 2.383 2.383 2.377 2.366 2.365 2.361 2.355 2.353 2.348 2.337 2.333 2.330 2.328 2.325 2.322 2.321 2.320 2.319 2.317 2.316 2.311 2.306 2.302 2.301 2.300 2.296 2.292 2.289 2.285 2.279 2.277 2.275 2.260 2.258 2.257 2.249 2.245 2.241 2.238 2.237 2.233 2.221 2.208 2.207 2.206 2.202 2.201 2.201 2.199 2.190 2.186 2.186
h4
IId
hk
16 16 8 8 16 16 8 16 16 8 8 16 16 8 16 16 4 8 8 8 16 16 8 16 8 8 8 2 8 16 8 8 8 16 16 16 8 16 8 16 8 8 8 16 16 16 8 16 8 16 16 16 8 16 16 8 16
4.3 2.1 0.9 3.1 3.3 12.5 0.1 0.9 2.3 1.4 1.0 0.1 0.1 1.4 4.3 0.7 11.5 0.1 0.2 1.2 3.0 0.6 0.2 3.8 2.8 1.2 17.5 0.2 0.6 2.1 0.9 4.6 6.3 3.3 1.2 2.3 0.3 6.2 1.0 1.9 0.3 0.4 0.7 2.9 2.7 1.2 0.1 3.0 0.3 3.1 4.2 1.1 0.8 4.7 7.3 0.2 1.5
4 3 4 42 4 3 3 4 2 42 3 2 3 2 42 3 4 1 3 4 3 2 3 4 4 2 2 3 4 3 4 4 1 3 3 4 3 3 4 3 4 1 3 4 2 3 4 2 2 4 43 43 43 50 3 43 3
1 3 0 2 2 3 1 2 0 1 1 0 3 1 1 2 2 3 2 1 2 1 1 0 2 2 3 1 2 0 0 1 0 3 2 2 3 2 1 1 1 2 2 2 1 0 1
1 2
1
20
d
fi1
Ire1
14 12 16 6 7 21 13 15 27 8 26 30 25 31 9 14 16 33 22 10 15 28 26 11 17 31 32 23 12 16 18 13 35 28 27 20 17 24 14 18 15 35 28 20 30 25 16 33 34 21 0 1 2 2 29 3 26
41.39 41.46 41.48 41.52 41.76 41.82 41.93 41.94 42.02 42.04 42.07 42.10 42.15 42.20 42.36 42.43 42.52 42.52 42.63 42.71 42.97 43.04 43.10 43.10 43.13 43.23 43.37 43.46 43.52 43.54 43.77 43.98 43.99 44.05 44.06 44.14 44.14 44.31 44.46 44.77 44.98 44.99 45.05 45.13 45.13 45.18 45.53 45.53 45.73 45.85 45.91 45.92 45.98 45.98 46.05 46.06 46.08
2.181 2.178 2.177 2.175 2.163 2.160 2.155 2.154 2.150 2.149 2.148 2.146 2.144 2.141 2.134 2.130 2.126 2.126 2.121 2.117 2.105 2.101 2.099 2.099 2.098 2.093 2.086 2.082 2.079 2.079 2.068 2.059 2.058 2.056 2.055 2.052 2.052 2.044 2.038 2.025 2.015 2.015 2.013 2.009 2.009 2.007 1.992 1.992 1.984 1.979 1.977 1.976 1.974 1.974 1.971 1.970 1.970
16 8 8 16 16 16 8 16 8 16 8 16 16 8 16 8 16 8 16 16 8 8 16 16 16 16 8 16 16 8 16 16 8 8 16 8 8 16 16 8 16 8 16 16 8 16 16 16 8 16 8 16 16 8 16 16 16
1.1 6.3 7.4 0.3 0.3 0.2 1.2 0.5 0.5 5.9 0.2 4.1 1.0 1.2 0.4 0.2 1.6 2.0 1.2 2.1 0.9 0.1 14.4 0.5 2.2 1.7 5.7 1.2 4.2 3.7 0.5 0.6 0.3 0.2 0.3 3.2 0.5 1.1 2.5 3.9 1.1 0.3 15.1 0.4 0.1 0.1 1.1 0.4 0.1 1.1 0.2 0.4 2.7 0.1 1.6 0.4 2.1
YUG
Yugawaralite
h
k
1
28
d
M
Ire,
h
k
1
28
d
M
Ire,
2 -3 -2 -3 2 -3
1 4 2 2 6 4
3 2 5 4 0 1
48.48 48.53 48.60 48.67 48.76 48.77
1.878 1.876 1.873 1.871 1.867 1.867
4 4 4 4 4 4
1.9 0.8 1.0 0.2 1.6 1.7
-1 0 0 1 -1 0
5 6 1 5 3 7
4 3 5 3 5 2
48.77 48.78 49.06 49.33 49.52 49.65
1.867 1.867 1.857 1.847 1.841 1.836
4 4 4 4 4 4
0.4 0.1 1.3 0.2 1.1 0.6
d
M
Ire1
h
k
1
28
d
M
Ire,
1.949 1.926 1.912 1.902 1.900 1.899 1.898 1.890 1.881 1.879 1.870 1.867 1.863 1.854
8 8 8 8 8 8 4 2 8 4 8 8 8 8
0.3 0.8 0.2 0.8 0.4 0.1 2.1 0.5 0.2 0.6 0.2 1.6 0.5 0.2
0 4 7 2 7 6 4 6 7 6 6 2 5 6
8 7 0 6 3 0 7 3 1 1 4 8 2 5
2 0 4 6 2 6 1 5 4 6 4 0 7 2
49.33 49.37 49.42 49.42 49.46 49.48 49.66 49.81 49.81 49.87 49.93 49.94 49.95 49.98
1.847 1.846 1.844 1.844 1.843 1.842 1.836 1.831 1.831 1.829 1.826 1.826 1.826 1.825
4 4 4 8 8 4 8 8 8 8 8 4 8 8
0.7 1.0 0.1 0.2 0.2 0.3 1.3 1.5 0.1 0.2 0.2 0.3 0.3 0.6
h -1 3 2 1
k 7 2 2 7
1 2 1 3 1
20 49.74 49.86 49.87 49.97
d 1.833 1.829 1.829 1.825
M 4 4 4 4
IreI 0.8 0.5 0.4 0.7
ZAPO-Ml
h
k
1
26’
d
M
Ire,
hkl
4 2 0 4 2 2 2 6 4 1 7 4 3 6
6 7 6 1 2 5 7 2 6 3 0 2 1 4
0 1 5 7 8 6 2 4 2 8 2 7 8 2
44.05 44.13 44.24 44.61 44.85 44.95 45.07 45.08 45.30 45.53 45.83 45.87 45.96 46.38
2.056 2.052 2.047 2.031 2.021 2.016 2.012 2.011 2.002 1.992 1.980 1.978 1.975 1.958
4 8 4 8 8 8 8 8 8 8 4 8 8 8
0.3 0.9 1.6 0.2 0.6 0.3 0.4 0.2 0.4 0.2 0.1 0.8 0.2 0.5
2 4 3 6 6 4 0 0 1 0 2 2 2 4
28 7 5 4 2 4 3 4 8 4 8 7 1 5 1
3 46.61 5 47.19 7 47.55 5 47.83 3 47.88 7 47.91 8 47.93 0 48.15 8 48.38 1 48.45 4 48.70 9 48.78 7 48.89 8 49.15
Zeolites
16:323-902,
1996
639
POWDER PATTERN SIMULATIONS FOR DISORDERED INTERGROWTHS
640
Zeolites
16:323-802,
1996
Beta family,
polymorph
A (*BEA)
- polymorph
B
Zeolites
16:323-802,
1996
641
SSZ33/SSZ26
642
Zeolites
16:323-802,
1996
far nily,
polymorph
A - polymorph
B
Faujasite
family,
FAU - EMT
u, 0
I
4 ---==+
<
i
-2
i +
-.
Zeolites
16:323-802,
1996
643
ZSM5/11 family, MFI - MEL iii 2
644
Zeolites
16:323-802,
1996
Offretite
- Erionite
family
k
0 I
I”“(““/“’
Zeolites
16:323-802,
1996
645
ATOMIC
646
Zeolites
16:323-802,
1996
COORDINATES
ABW
Li-ABW REFINED
COMPOSITION: CRYSTAL
Li4(Si4A140is).4H20
DATA:
Pnaal
(No.
33)
a = 10.313 A
b = 8.194 A cl! = 90” p = 90” X-ray single crystal refinement, REFERENCE:
c = 4.993 A y = 90” R, = 0.081
E. Krogh Andersen and G. Ploug-Sorensen, Z. Kristallogr. 176, 67-73 (1986).
Atom Li Si Al 01 02 03 04 Hl H2 05
X
0.1862 0.3544 0.1593 0.0061 0.2736 0.1912 0.1804 0.5497 0.4965 0.4891
9 0.6849 0.3757 0.0810 0.1584 0.2198 0.0399 -0.1008 0.1798 0.0587 0.0903
2
Bisa
OCC
0.2520 0.2492 0.2500 0.1970 0.1391 0.5907 0.0689 0.8651 0.5773 -0.2395
1.57 0.44 0.4 0.75 0.97 0.76 0.68 4.0 4.2 2.93
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-802,
1996
647
AEI
Calcined
REFINED
COMPOSITION: CRYSTAL
Alz4Pz40aB
DATA:
Cl 2/c 1 (No. 15) unique axis b, cell choice 1 a = 13.7114 A b = 12.7315 A c = 18.5706 A a = 90” p = 90.01” y = 90” X-ray Rietveld refinement, Rexp = 0.047, R,, = 0.108, RF = 0.032
REFERENCE:
A. Simmen, L. B. McCusker, Zeolites 11, 654-661 (1991); and Ch. Baerlocher, private
Atom All Al2 Al3 Pl P2 P3 01 02 03 04 05 06 07 08 09 010 011 012
648
Zeolites
16:323-802,
1996
AIP04-18
5
0.88997 0.88129 0.22953 0.77251 0.10981 0.11634 0.17723 0.14278 0.00371 0.84714 0.81686 0.01022 0.13601 0.33199 0.85795 0.81531 0.12779 0.26213
Y 0.95872 0.22661 0.09687 0.09559 0.23135 0.96983 0.05318 0.16702 0.25884 0.16747 0.04552 0.99732 0.86260 0.16953 0.96546 0.33988 0.16274 -0.01281
Ch. Baerlocher communication.
z
Bj,,
occ
0.16598 0.93877 0.04922 0.05384 0.93763 0.16394 0.12913 0.00209 0.94574 0.02039 0.12009 0.15632 0.13230 0.06981 0.25665 0.92509 0.87230 0.99849
0.75 0.96 1.42 1.42 0.96 0.75 0.72 0.72 0.72 0.72 0.72 0.72 0.72 0.72 0.72 0.72 0.72 0.72
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
and W. M. Meier,
AEL
Calcined AlPOdREFINED
COMPOSITION: CRYSTAL
DATA:
A120PzoOso (No. 46) bai? setting a = 13.5336 A b = 18.4821 Ibm2
a = 90”
p = 90”
A
c = 8.3703 y = 90”
A
Neutron Rietveld refinement, R,, = 0.027, RF2 = 0.058 REFERENCE:
J. W. Richardson, Jr., J. J. Pluth and J. V. Smith, Acta Cryst. B44, 367-373 (1988).
Atom All Al2 Al3 Pl P2 P3 01 02 03 04 05 051 06 061 07 071 08
z
Y
z
0.134 0.949 0.850 0.143 0.953 0.857 0.143 0.945 0.860 0.242 0.068 0.057 0.118 0.125 0.913 0.909 0.762
0.035 0.102 0.250 0.025 0.104 0.250 0.039 0.105 0.250 0.068 0.088 0.091 0.955 0.954 0.179 0.177 0.250
-0.199 0.317 -0.185 0.182 -0.306 0.185 0.000 0.517 0.024 0.243 0.252 -0.257 0.232 -0.264 0.232 -0.263 0.234
@so occ 2.76 3.54 1.89 2.76 3.54 1.89 12.15 6.09 9.72 5.04 5.37 5.37 8.52 8.52 8.76 8.76 7.02
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-802,
1996
649
AEL
Diisopropylamine
REFINED
COMPOSITION: CRYSTAL
(A120.~i4P1s.220s”).(C15.5N2.58)
DATA:
Ibm2 (No. 46) bai? setting a = 13.472 A b = 18.712 A cl = 90” p = 90” X-ray single crystal refinement,
REFERENCE:
All Al2 Al3 Pl P2 P3 01 02 03 04 05 051 06 061 07 071 08 Cl c2 c3 c4 N
Zeolites
16:323-802,
1996
c = 8.4431 H, y = 90” R, = 0.042
J. J. Pluth, J. V. Smith and 3. W. Richardson, J. Phys. Chem., 92, 2734-2738 (1988).
Atom
650
MnAPO-11
2
0.1390 0.9501 0.8565 0.1464 0.9515 0.8621 0.1430 0.9515 0.8542 0.2455 0.0690 0.0564 0.1250 0.1158 0.9175 0.9169 0.7620 0.250 0.246 0.3449 0.161 0.301
Y 0.0331 0.1060 0.250 0.0365 0.10846 0.250 0.0364 0.1120 0.250 0.0612 0.0874 0.0974 0.9611 0.9498 0.1863 0.1786 0.250 0.250 0.250 0.250 0.250 0.206
z
&so
occ
-0.203 0.294 -0.208 0.170 -0.334 0.163 0.000 0.491 0.001 0.228 0.234 -0.277 0.232 -0.276 0.221 -0.267 0.227 0.073 0.346 0.457 0.448 0.242
3.553 3.553 2.921 3.324 3.024 2.661 9.396 10.185 10.422 6.711 6.632 6.79 7.106 7.896 8.764 8.922 9.554 21.318 21.318 13.738 17.371 17.371
1.034 1.028 1.010 0.913 0.912 0.904 1.0 1.0 1.0 1 .O 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.646 0.646 1.292 1.292 0.323
Jr.,
AET
AIP04-8 REFINED
COMPOSITION: CRYSTAL
DATA:
Si72Or44
Cmcm
(No. 63)
a = 33.2900 A b = 14.7036 A c = 8.3863 A a = 90” p = 90” y = 90” Neutron Rietveld refinement, R,, = 0.043, RF2 REFERENCE:
=
0.077
J. W. Richardson, Jr. and E. T. C. Vogt, Zeolites 12, 13-19 (1992).
Atom
X
Y
z
Biso
OCC
Sill Si12 Si21 Si22 Si23 011 012 021 022 031 032 033 041 042 051 052 053 061 062
0.1904 0.0
0.416 0.132 0.094 0.404 0.226 0.5 0.0 0.402 0.127 0.133 0.394 0.324 0.175 0.0 0.096 0.378 0.232 0.174 0.5
0.066 -0.028 0.055 -0.061 -0.071 0.0 0.0 0.25 -0.25 0.018 0.020 0.031 0.017 0.0 0.25 -0.25 -0.25 0.002 0.0
-1.3 12.4 -0.1 -0.1 -0.1 0.3 12.8 -0.7 12.5 2.0 3.0 3.0 3.0 3.0 6.6 6.6 6.6 3.0 3.0
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
0.0878 0.2740 0.1573 0.1767 0.0 0.1772 0.0 0.0456 0.2317 0.1580 0.1993 0.0906 0.0847 0.2590 0.1444 0.1154 0.2865
AlP04-8 is an aluminophosphate material, here refined assuming a SiO:! composition in a higher space group symmetry.
Zeolites
16:323-802,
1996
651
AFG
Afghanite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
(Na~~.c&a~,~)(Si~~Al~~O~~)~(S~.~O~~.~~C1~)~4H~O Locality unknown. P63mc (NO. 186) a = 12.761 A b = 12.761 A a = 90” p = 90” X-ray single crystal refinement,
c = 21.416 A y = 120° R = 0.069
E. A. Pobedemskaya, R. K. Rastsvetaeva, L. E. Terenteva and A. N. Saposhnikov, Doklady Akademee Nauk SSSR, 320, 882-886
Atom Nal Na2 Na3 Na4 Na5 Na6 Cal Ca2 Ca3 Ca4 Ca5 Ca6 Sil Si2 Si3 Si4 All Al2 Al3 Al4 01 02 03 04 05 06 07 08 09 010 011 012 Sl s2
X
0.2160 0.2238 0.4707 0.4907 0.4034 0.34 0.3333 0.3333 0.0 0.0 0.5162 0.5051 0.2586 0.0746 0.0001 0.0770 0.2586 0.0746 0.0001 0.0770 0.3332 0.3481 0.1186 0.3286 0.3453 0.1184 0.1101 0.1132 0.4490 0.4589 0.2120 0.2222 0.3333 0.3333
Y
-0.2160 -0.2238 0.5293 -0.4907 0.2017 0.17 0.6667 0.6667 0.0 0.0 0.0325 0.0101 0.0061 0.4100 0.2572 0.4091 0.0061 0.4100 0.2572 0.4091 0.3169 0.3434 -0.1186 0.3309 0.3363 -0.1184 -0.1101 -0.1132 -0.4490 -0.4589 -0.2120 -0.2222 0.6667 0.6667
,7
0.3750 0.1346 0.2482 0.0064 0.6157 0.89 0.6226 0.8663 0.2594 0.0079 -0.0015 0.7422 0.5020 0.8758 0.2517 0.6281 0.5020 0.8758 0.2517 0.6281 0.6838 0.8107 0.7533 0.4326 0.0586 0.0009 0.4935 0.2445 0.6177 0.8715 0.6247 0.8677 0.2507 0.4598 continued.
652
Zeolites
16:323-602,
1996
@so occ 2.30 3.05 2.59 2.92 2.84 2.48 1.47 2.25 0.88 1.01 0.36 0.87 0.59 1.20 0.73 0.56 0.59 1.20 0.73 0.56 1.94 0.50 1.89 1.78 1.79 0.13 4.05 1.22 1.19 1.51 1.97 0.88 2.63 2.23 ..
0.90 0.66 0.85 0.83 0.33 0.10 1.0 1.0 1.0 1.0 0.16 0.14 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.90 1.0
(1991).
AFG
Afghanite . . . continued
from previous
Atom s3 013 015 017 018 019 020 Cl 021 Hz014 Hz016
page
x z Bif+, OCC 9 0.3333 0.6667 0.0359 2.17 0.75 0.3333 0.6667 0.9688 3.67 1.0 0.6116 -0.6116 -0.0661 4.33 1.0 0.561 0.281 0.719 2.24 0.27 0.272 0.545 0.780 2.77 0.33 0.603 0.206 0.551 2.29 0.41 0.227 0.613 0.802 4.59 0.33 0.1257 3.10 1.0 0.0 0.0 0.636 0.272 0.0163 3.45 0.33 0.3333 0.6667 0.7474 3.31 1.0 0.0 0.0 0.3766 5.89 1.0
Zeolites
16:323-602,
1996
653
AFI
Tetrapropylammonium
REFINED
COMPOSITION: CRYSTAL
DATA:
P&c (No. 184) a = 13.740 A b = 13.740 A a = 90” p = 90” X-ray single crystal refinement, S. Qiu, W. Pang, H. Kessler Zeolites 9, 440-444 (1989).
Atom P Al 01 02 03 04 Cl
c2 c3 c4 c5 C6 N F
Zeolites
16:323-802,
1996
AIP04-5
(P12A112048).C12NF
REFERENCE:
654
fluoride
z 0.4529 0.4571 0.4214 0.4550 0.3658 0.5742 0.104 0.125 0.104 0.000 0.041 0.082 0.000 0.500
Y 0.3281 0.3382 0.209 0.3299 0.3597 0.4175 0.041 0.979 0.979 0.895 0.895 0.957 0.000 0.500
z 0.053 0.425 0.008 0.251 0.004 0.007 0.666 0.750 0.416 0.500 0.359 0.221 0.543 0.317
c = 8.474 ii y = 120”
R, = 0.042
and J. L. Guth,
&Cl
occ
2.25 1.89 4.18
1.0 1.0 1.0 1.0 1.0 1.0 0.1667 0.1667 0.1667 0.1667 0.1667 0.1667 0.5 0.1667
5.33 4.11 5.03 3.95 3.95 3.95 3.95 3.95 3.95 3.95 3.95
Calcined
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
AFO
AIP04-41
AllOP P112i (No. 4) unique axis c a = 9.7179 A b = 13.7915 A c = 8.3591 A a = 90” p = 90” y = 110.6” X-ray Rietveld refinement, Rexp = 0.023, Rwp = 0.164,
RF = 0.074, RI = 0. 11 1
R. M. Kirchner and J. M. Bennett, Zeolites 14, 523-528 (1994).
Atom All Al2 A13 A14 Al5 Pl P2 P3 P4 P5 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 017 018 019 020
X
0.562 0.852 0.725 0.826 0.580 0.548 0.859 0.713 0.828 0.561 0.449 0.543 0.708 0.518 0.835 -0.006 0.743 0.855 0.825 0.752 0.545 0.751 0.754 0.775 0.801 -0.022 0.744 0.534 0.546 0.464
Y 0.122 0.278 0.443 0.666 0.743 0.096 0.284 0.440 0.671 0.716 0.138 0.127 0.156 0.976 0.385 0.294 0.158 0.258 0.393 0.551 0.342 0.448 0.745 0.554 0.683 0.730 0.742 0.679 0.806 0.605
z 0.638 0.124 0.627 0.142 0.672 0.022 0.499 0.008 0.518 0.016 0.146 0.839 0.042 0.048 0.548 0.559 0.549 0.313 0.057 0.110 0.019 0.827 0.620 0.572 0.327 0.555 0.061 0.834 0.089 0.089
Biso
OCC
1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 3.0 3.0 3.0 3.0 3.0 3.0 3.0 3.0 3.0 3.0 3.0 3.0 3.0 3.0 3.0 3.0 3.0 3.0 3.0 3.0
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-802,
1996
655
Tetrapropylammonium
REFINED
(A132P320128).4N(C3H7
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
SAP0-40
j,
Pccn (No. 56) a = 21.9443 A b = 13.6911 A c = 14.2486 A CL = 90” p = 90” y = 90” X-ray Rietveld refinement, Rex,, = 0.149, R,, = 0.161, RF = 0.066 L. B. McCusker and Ch. Baerlocher, Microporous Materials, in press.
Atom
X
Y
.z
Biso
OCC
All Al2 Al3 Al4 Pl P2 P3 P4 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 N Cl c2 c3 c4 c5 C6 Hll H12 H21
0.0860 0.1778 -0.0119 0.0833 0.0858 0.1804 -0.0125 0.0836 0.0954 0.1471 0.0207 0.0812 0.1372 0.0265 0.0857 0.1751 0.2525 0.1454 0.1521 -0.0369 0.0341 -0.0741 0.0297 -0.0659 0.25 0.1994 0.1726 0.1186 0.2243 0.2730 0.2487 0.1665 0.2158 0.1580
0.1417 0.3624 0.3639 0.0482 0.3652 0.1295 0.1420 0.4489 0.2605 0.1050 0.1285 0.0682 0.3945 0.3770 0.4322 0.2388 0.4007 0.4190 0.0719 0.2460 0.3867 0.4414 0.1238 0.0720 -0.25 -0.2871 -0.2012 -0.2388 -0.1690 -0.1304 -0.0377 -0.3160 -0.3382 -0.1485
0.2174 0.0553 0.0615 -0.0764 0.2198 0.0587 0.0587 -0.0808 0.2514 0.1506 0.1529 0.3134 0.1554 0.1677 0.3036 0.0401 0.0687 -0.0410 -0.0229 0.0526 -0.0342 0.0607 -0.0260 0.0550 -0.0080 0.0541 0.1130 0.1727 -0.0669 -0.1357 -0.1838 0.0142 0.0972 0.0698
1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 5.53 5.53 5.53 5.53 5.53 5.53 5.53 4.74 4.74 4.74
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
continued. . .
656
Zeolites
l&323-602,
1996
Tetrapropylammonium . * . continued
from
previous
Atom H22 H31 H32 H33 H41 H42 H51 H52 H61 H62 H63
AFR
SAPO-40
page X
0.2049 0.1332 0.0863 0.1014 0.2107 0.1886 0.3111 0.2819 0.2307 0.2165 0.2828
Y -0.1744 -0.2913 -0.2656 -0.1836 -0.1145 -0.1940 -0.1145 -0.1812 0.0069 -0.0559 -0.0035
z 0.1552 0.2160 0.1304 0.2103 -0.0250 -0.1032 -0.1004 -0.1841 -0.1353 -0.2303 -0.2167
&so 4.74 4.74 4.74 4.74 4.74 4.740 4.74 4.74 4.74 4.74 4.74
occ 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Hydrogen positions are calculated.
Zeolites
16:323-902,
1996
657
AFS
Di-n-propylamine
REFINED
COMPOSITION: CRYSTAL
(AlzsPzs01r2).6C4N
DATA:
P3cl (No. 158) a. = 13.2251 A b = 13.2251 A c = 26.8922 A y = 120° a = 90” p = 90” X-ray single crystal refinement, R, = 0.119 J. M. Bennett and B. K. Marcus, In “Innovations in Zeolite Material Science (Stud. Surf. Sci. Catal. No. 37)“, Grobet, P. J., Mortier, W. J., Vansant, E. F., Schulz-Ekloff, G., Eds. Elsevier: Amsterdam; pp. 269-279 (1987). And J. M. Bennett, Private Communication.
REFERENCE:
Atom All Al2 Al3 Al4 Al5 Al6 Pl P2 P3 P4 P5 P6 012 016 021 022 0231 023 032 0321 033 034 043 044 045 0451 054 0541 055 056 061 065 Cl Cl1 c21 c2 N
658
Zeolites
16:323-802,
MAPS0-46
1996
X 0.00000
0.46967 0.19875 0.46726 0.19352 0.66667 0.66667 0.19862 0.46965 0.20093 0.46960 0.00000 0.9846 0.0000 0.6875 0.7350 0.9192 0.7826 0.1515 0.1910 0.3389 0.1638 0.8976 0.3218 0.5189 0.4884 0.1405 0.1867 0.7279 0.9997 0.6666 0.7979 0.2968 0.0527 0.3242 0.9726 0.3242
Y 0.00000 0.31584 0.96524 0.11576 0.17290 0.33333 0.33333 0.18082 0.10767 0.96592 0.31962 0.00000 0.1174 0.0000 0.2336 0.0649 0.4727 0.2713 0.2587 0.0927 0.9936 0.2199 0.5052 0.0036 0.4365 0.2442 0.2616 0.0777 0.0750 0.8889 0.3333 0.4676 0.1621 0.3242 0.4316 0.7011 0.0800
0.0&57 0.13168 0.18925 0.30775 0.36246 0.43950 0.06039 0.13165 0.19050 0.30722 0.36555 0.43771 0.5852 0.9957 0.0819 0.1160 0.1661 0.1759 0.1616 0.1748 0.1796 0.7555 0.7477 0.3158 0.3483 0.3316 0.3398 0.3187 0.3741 0.4222 0.0081 0.4151 0.5117 0.4726 0.9472 0.5117 0.4863
Biso 1.55 2.55 1.04 1.42 1.46 1.39 1.22 1.62 1.02 1.73 1.16 1.6 1.75 2.49 1.36 1.02 2.29 1.91 2.65 1.96 2.58 3.21 1.74 1.95 1.15 2.85 1.76 2.29 2.09 2.66 2.85 2.54 4.0 4.0 4.0 4.0 4.0
OCC
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Calcined,
REFINED
COMPOSITION: CRYSTAL
DATA:
partially
AFT
AIP04-52
A136P360144 P%c
(No.
163)
a = 13.715 A a = 90” X-ray Rietveld REFERENCE:
rehydrated
b = 13.715 A c = 29.676 A p = 9o” y = 120” refinement, Rexp = 0.130, R,, = 0.197, R, = 0.173
N. K. McGuire, C. A. Bateman, C. S. Blackwell, S. T. Wilson and R. M. Kirchner, Zeolites 15, 460-469 (1995).
Atom All Al2 Al3 Pl P2 P3 01 02 03 04 05 06 07 08 09 010 011 012
X
0.231 0.341 0.435 0.225 0.339 0.435 0.267 0.234 0.097 0.317 0.344 0.362 0.445 0.223 0.302 0.472 0.550 0.394
Y 0.000 0.445 0.326 0.223 0.448 0.329 0.007 0.125 -0.103 -0.026 0.413 0.354 0.581 0.453 0.323 0.224 0.452 0.318
2
Biso
occ
0.198 0.469 0.635 0.202 0.368 0.534 0.253 0.182 0.195 0.163 0.414 0.503 0.477 0.487 0.170 0.648 0.651 0.580
1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-802.
1996
659
SAP046 REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
A124P24096 Pslc (No. 163) a = 13.7617 A b = 13.7617 8, c = 19.949 A a! = 90” y = 120” p = 90” X-ray Rietveld refinement, Rex,, = 0.068, R,, = 0.219 N. K. McGuire. C. S. Blackwell, C. A. Bateman, and R. M. Kirchner, Private communication.
Atom All Al2 Pl P2 01 02 03 04 05 06 07 08
660
Zeolites
16:323-802.
1996
X 0.001
0.338 0.107 0.231 -0.126 0.105 0.024 0.013 0.231 0.095 0.073 0.319
Y
z
&so
occ
0.225 0.439 0.441 0.229 0.112 0.189 0.348 0.277 0.469 0.54 0.4 0.323
0.077 0.173 0.179 0.079 0.104 0.093 0.119 -0.006 0.159 0.143 0.242 0.125
1.185 1.185 1.422 1.422 1.974 1.974 1.974 1.974 1.974 1.974 1.974 1.974
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
S. T. Wilson
Di-n-propylamine
REFINED
COMPOSITION: CRYSTAL
AFY
CoAPO-50
(AlsCozPsOsz).6C4N
DATA:
Ps (No. 147) a = 12.7468 A b = 12.7468 A c = 9.0153 A a = 90” p = 90” y = 120” X-ray single crystal refinement, R, = 0.071
REFERENCE:
J. M. Bennett and B. K. Marcus, In “Innovations in Zeolite Material Science (Stud. Surf. Sci. Catal. No. 37)“, Grobet, P. J., Mortier, W. J., Vansant, E. F., Schulz-Ekloff, G. Eds. Elsevier: Amsterdam: pp. 269-279 (1987). and J. M. Bennett. Private Communication.
Atom Al co Pl P2 031 032 011 012 014 02 Cl Cl1 c2 c21 N
X
Y
2
Biso
OCC
0.85585 0.33333 0.66667 0.32138 0.85934 0.39760 0.54705 0.20298 0.33333 0.35660 0.40093 0.21931 0.46509 0.34138 0.28549
0.32535 0.66667 0.33333 0.86415 0.44164 0.20587 0.23176 0.50794 0.66667 0.99417 0.40351 0.21598 0.00622 0.32934 0.01616
0.40999 0.18423 0.19314 0.38454 0.52440 0.52481 0.25047 0.24269 --0.02687 0.35229 0.07477 0.20291 0.04137 0.23073 0.90866
0.09 0.24 0.23 0.23 0.29 0.39 0.45 0.36 0.36 0.44 8.9 10.03 14.41 17.57 20.45
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-602,
1996
661
AHT
AlPOd - H2
REFINED
COMPOSITION: CRYSTAL
(AlcPs024).8H2O
DATA:
REFERENCE:
P1121 (No. 4) unique axis c a = 9.486 A b = 9.914 A cl = 90” p = 90” X-ray Rietveld refinement, R,, J. B. Higgins, Private Communication.
Atom All Al2 Al3 Pl P2 P3 01 02 03 04 05 06 07 08 09 010 011 012 H201 Hz02 Hz03 ifi204
662
Zeolites
16:323-802,
1996
c = 8.126 A y = 121.49” = 0.127
2 0.0
0.347 0.348 0.007 0.366 0.373 0.014 0.0 0.229 0.419 0.352 0.512 0.16 -0.229 0.406 0.362 0.525 -0.138 0.016 -0.045 0.262 0.752
Y 0.215 0.303 0.037 0.094 0.349 0.038 0.067 0.116 0.347 0.234 0.333 0.523 0.254 0.112 0.166 0.035 0.038 0.097 0.277 0.384 0.615 0.408
z
&so
occ
0.139 0.664 0.134 0.526 0.064 0.537 0.013 0.337 0.165 0.112 0.876 0.067 0.576 0.111 0.661 0.348 0.605 0.608 -0.097 0.196 0.365 0.265
1.263 1.263 1.263 1.263 1.263 1.263 2.052 2.052 2.052 2.052 2.052 2.052 2.052 2.052 2.052 2.052 2.052 2.052 1.815 1.815 2.607 2.607
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
ANA
Analcime
REFINED
COMPOSITION:
CRYSTAL
Na~~(Si32AI~s0~6).16Hz0 Cyclopean Islands, Greece.
DATA:
REFERENCE:
I&d (No. 230) a = 13.73 A b = 13.73 A c = 13.73 A Q = 90” p = 90” y = 90” Neutron single crystal refinement, R = 0.04 G. Ferraris, D. W. Jones and J. Yerkess, Z. Kristallogr.? 135, 240-252 (1972).
Atom Nal Sil All 01 Hl H2 02
01 z-coordinate
2
0.125 0.66208 0.66208 0.10428 0.0791 0.1402 0.125
Y 0.0 -0.41208 -0.41208 0.13440 0.0791 0.1006 0.125
Z
Go
occ
0.25 0.125 0.125 0.71932 0.0791 0.0548 0.125
0.32 0.14 0.14 0.29 1.05 0.83 0.69
0.6667 0.6667 0.3333 1.0 0.25 0.25 1.0
changed from 0.21932 to 0.71932.
Zeolites
16:323-602,1996
663
APC
Hydrated
REFINED COMPOSITION:
AlPOd-C
(A116P16064).16H20.08
CRYSTAL DATA:
Pbca (No. 61) a = 19.3525 a Q = 90”
b = 9.7272 A p = 90”
X-ray single crystal refinement, REFERENCE:
c = 9.7621 ii y = 90” R = 0.033
J. J. Pluth and J. V. Smith, Acta Cryst. C42, 1118-1120 (1986). Atom All Al2 Pl P2 01 02 03 04 05 06 07 08 Hl H2 H3 H4 09 010 011
X
Y
0.44808 0.28207 0.44769 0.29050 0.37433 0.46047 0.49520 0.46889 0.27397 0.36522 0.28329 0.25855 0.15752 0.16096 0.28123 0.30108 0.18446 0.30512 0.11929
0.08470 0.33224 0.34071 0.06565 0.3765 0.1662 0.4497 0.2004 0.0582 0.0190 0.2158 0.4758 0.2988 0.2574 0.1025 0.1902 0.2831 0.1730 0.1440
z 0.32419 0.14654 0.13498 0.33879 0.1701 0.4804 0.1971 0.1942 0.4913 0.3136 0.2953 0.2592 0.0523 0.1883 0.0541 0.9490 0.1193 0.0340 0.3627
Biso 0.23 0.21 0.22 0.21 0.39 0.45 0.42 0.34 0.29 0.42 0.34 0.29 5.26 3.95 1.74 1.42 0.58 0.39 1.5
OCC
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
The third water molecule (011) is missing hydrogen atoms.
664
Zeolites
16:323-802,
1996
Dehydrated
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
APC
AlPOd-C
A116P16064 Pbca (No. 61) a = 19.816 H, b = 10.047 H, Q = 90” p = 90” X-ray Rietveld refinement, R,,
c = a.935 A y = 90” = 0.17, RF = 0.051; At T = 100°C
E. B. Keller, W. M. Meier and R. M. Kirchner, Solid State Ionics 43, 93-102 (1990).
Atom All Al2 Pl P2 01 02 03 04 05 06 07 08
X
Y
z
0.455 0.297 0.456 0.293 0.384 0.465 0.500 0.476 0.280 0.370 0.278 0.249
0.160 0.423 0.424 0.145 0.465 0.143 0.539 0.317 0.110 0.124 0.284 0.560
0.360 0.197 0.206 0.346 0.222 0.546 0.238 0.323 0.506 0.313 0.297 0.241
Biso
OCC
0.3 1.5 2.7 0.3 9.0 0.7 1.5 0.5 1.3 5.1 0.1 3.3
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-802,
1996
665
APD
AlPOd-D
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
666
Zeolites
16:323-802,
1996
A116P160fi4 P~a2~ (No. 29) a = 19.187 i% b = 8.576 A cy = 90” 0 = 90” X-ray Rietveld refinement, R,,
c = 9.804 A 7 = 90” = 0.203, RF = 0.115; At T = 100°C
E. B. Keller, W. M. Meier and R. M. Kirchner, Solid State Ionics 43, 93-102 (1990).
Atom
X
All1 All2 A121 Al22 Pll P12 P21 P22 011 012 021 022 031 032 041 042 051 052 061 062 071 072 081 082
0.531 0.572 0.721 0.681 0.574 0.529 0.680 0.724 0.645 0.593 0.531 0.584 0.540 0.469 0.532 0.524 0.691 0.734 0.601 0.655 0.716 0.724 0.789 0.719
Y 0.065 0.574 0.074 0.572 -0.031 0.473 -0.051 0.453 0.035 0.526 0.284 0.784 0.017 0.518 0.018 0.557 0.773 0.278 -0.015 0.498 0.025 0.478 -0.010 0.539
,e
Biso
OCC
0.133 0.385 0.320 0.026 0.421 0.107 0.040 0.298 0.406 0.031 0.130 0.418 0.553 0.019 0.302 0.238 0.060 0.320 0.045 0.361 0.154 0.150 0.405 0.869
9.1 4.0 0.2 0.8 6.9 2.5 0.8 0.2 1.3 0.0 8.7 4.0 6.4 0.8 0r 1 0.8 4.0 8.0 0.7 9.4 0.8 0.8 0.8 6.2
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Quinuclidinium
REFINED
COMPOSITION: CRYSTAL
fluoride
octadecasil
(Si2aO~u)~C~.isFa.u7
DATA:
14/m (No. 87) a = 9.194 A b = 9.194 A a = 90” p = 90” X-ray single crystal refinement,
REFERENCE:
c = 13.396 A y = 90” R, = 0.039
P. Caullet, J. L. Guth, J. Hazm, J. M. Lamblin and H. Gies, Eur. J. Solid State Inorg. Chem. 28, 345-361 (1991).
Atom Sil Si2 01 02 03 Cl ca c3 c4 F
X
0.2303 0.5 0.3724 0.3308 0.2883 0.05 0.13 0.00 0.14 0.0
Y 0.0387 0.0 0.0659 0.6201 0.0502 0.14 0.06 0.07 0.13 0.0
z
&so
occ
0.1137 0.25 0.1817 0.3583 0.0 0.5 0.41 0.37 0.16 0.0
0.61 0.47 0.96 1.27 1.36 11.91 14.5 3.87 6.15 2.91
1.0 1.0 1.0 1.0 1.0 0.151 0.184 0.049 0.078 0.037
Zeolites
16:323-802.
1996
667
AST
Quinuclidine
REFINED
COMPOSITION: CRYSTAL
(A120P2008~).4C7HujN
DATA:
F23 (No. 196) a = 13.3832 A b = 13.3832 A c = 13.3832 A a = 90” p = 90” y = 90” X-ray Rietveld refinement, R,, = 0.192, RF = 0.106
REFERENCE:
J. M. Bennett and R. M. Kirchner, Zeolites 11, 502-506 (1991).
Atom All Pl P2 Al2 01 02 03 N Cl c2 c3 c4 c5 C6 c7 Hll H12 H21 H22 H31 H32 H41 H42 H51 H52 H61 H62 H7
668
Zeolites
16:323-802,
AIP04-16
1996
X
0.1186 -0.1116 0.2500 -0.2500 -0.0078 0.1915 -0.1704 0.0560 0.0056 -0.0601 0.1159 0.0529 -0.0214 -0.0878 -0.0552 0.0566 -0.0351 -0.0382 -0.1300 0.1506 0.1686 0.0592 0.0772 -0.0626 0.0122 -0.1583 -0.0845 -0.0978
&so
Y
0.1186 0.1116 0.2500 0.2500 0.1285 0.1915 0.1704 0.4329 0.3916 0.4680 0.5193 0.5988 0.4689 0.5472 0.5662 0.3668 0.3331 0.4774 0.4437 0.5481 0.4965 0.6627 0.6110 0.4116 0.4970 0.5246 0.6099 0.6173
0.1186 0.1116 0.2500 0.2500 0.1495 0.1915 0.1704 0.0424 -0.0462 -0.0973 0.0103 -0.0393 0.1118 0.0646 -0.0418 -0.0939 -0.0261 -0.1673 -0.0995 0.0691
-0.0364 -0.0025 -0.1081 0.1344 0.1722 0.0658 0.1036 -0.0741
6.4 5.2 4.4 2.5 3.0 5.0 8.0 6.0 6.0 6.0 6.0 6.0 6.0 6.0 6.0 7.0 7.0 7.0 7.0 7.0 7.0 7.0 7.0 7.0 7.0 7.0 7.0 7.0
occ
1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833
ATN
MAPO-39 REFINED
COMPOSITION: CRYSTAL
A18Ps032
DATA:
13 (No. 82) a = 13.09 A Q = 90” X-ray Rietveld
REFERENCE:
b = 13.09 A c = 5.18 A p = 90” y = 90” refinement, Rexp = 0.035, R,,
= 0.162, RF = 0.078
L. B. McCusker, G. 0. Brunner and A. F. Ojo, Acta Cry& A46, C-59 (1990) (15th. Congress of IUCr,
Atom Al P 01 02 03 04
2 0.37347 0.21367 0.31253 0.34946 0.50247 0.33498
Y 0.20776 0.38502 0.32522 0.14580 0.23689 0.13050
z 0.02050 0.02075 0.01541 0.30240 0.00421 -0.22195
&so 1.24 0.21 1.11 0.47 1.08 0.76
Bordeaux).
OCC
1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-602,
1996
669
AT0
Di-n-propylamine
REFINED
COMPOSITION: CRYSTAL
(A117.71P1A,67072).C14.76
RS (No. 148) hexagonal setting a = 20.839 A b = 20.839 A a = 90" p = 90"
DATA:
X-ray REFERENCE:
Al P 01
02 03 04 Cl
c2 c3
Zeolites
16:323-602,
single crystal
refinement,
c = 5.041 A y = 120”
Rwp = 0.018, RF = 0.051
W. H. Baur, W. Joswig, D. Kassner Acta Cryst. B50, 290-294 (1994).
Atom
670
SAPO-31
1996
2
Y
2
and J. Kornatowski,
@so
0.61736 0.47126
0.08455 0.0381 0.08774 0.1138
1.89 1.31
0.55134 0.42390 0.44586 0.46468 0.046 0.064 0.0
0.10711 0.00893 0.09533 0.14061 0.013 0.029 0.0
0.1317 0.0133
3.0 3.32 3.32 3.32
0.3880 0.9208 0.111
0.388 0.30
15.79 15.79 15.79
occ 0.984 0.926 1.0 1.0 1.0 1.0
0.46 0.25 0.33
ATS
MAPO-36 REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
Si2404s Cl 2/c 1 (No. 15) unique axis b, cell choice 1 a = 13.1483 A b = 21.5771 A c = 5.1639 A a = 90” p = 91.84” y = 90” X-ray Rietveld refinement, Rexp = 0.112, R,, = 0.135,
RF = 0.058
J. V. Smith, J. J. Pluth and K. J. Andries, Zeolites 13, 166-169 (1993).
Atom Sil Si2 Si3 01 02 03 04 05 06 07
X
0.619 0.314 0.617 0.690 0.500 0.622 0.354 0.500 0.645 0.811
Y
z
&so
occ
0.041 0.174 0.243 0.101 0.048 0.212 0.189 0.265 0.001 0.195
0.767 0.768 0.223 0.773 0.750 0.934 0.069 0.250 0.022 0.748
0.92 0.92 0.92
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
1.237 1.237 1.237 1.237 1.237 1.237 1.237
Zeolites
16:323-802,
1996
671
ATT
Tetramethylammonium
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
672
Zeolites
16:323-602,
1996
hydroxide
AlPOd-12-TAMU
(A113P12048).4C4N0 P21212 (No. 18) a = 10.3325 A b = 14.6405 A c = 9.5112 A cl = 90” p = 90” 7 = 90” X-ray Rietveld refinement, R,, = 0.19, RF = 0.17 P. R. Rudolf, C. Saldarriaga-Molina and A. Clearfield, J. Phys. Chem. 90, 6122-6125 (1986).
Atom
5
Y
z
Biso
OCC
All Al2 Al3 Pl P2 P3 01 02 03 04 05 06 07 08 09 010 011 012 Cl c2 c3 c4 Nl N2 013 014
0.354 0.366 0.349 0.339 0.354 0.343 0.338 0.311 0.482 0.249 0.318 0.370 0.485 0.244 0.300 0.337 0.482 0.254 -0.024 -0.131 -0.018 -0.129 0.000 0.000 0.000 0.000
0.608 0.896 0.249 0.770 0.112 0.415 0.696 0.864 0.758 0.764 0.137 0.012 0.168 0.143 0.506 0.349 0.412 0.381 0.089 -0.017 0.587 0.482 0.000 0.500 0.000 0.500
0.387 0.383 0.139 0.157 0.368 0.369 0.272 0.218 0.086 0.018 0.210 0.381 0.412 0.466 0.317 0.242 0.425 0.488 0.196 0.004 0.249 0.065 0.100 0.158 0.284 -0.024
3.0 3.0 3.0 4.8 4.8 4.8 4.3 4.3 4.3 4.3 4.3 4.3 4.3 4.3 4.3 4.3 4.3 4.3 13.1 13.1 13.1 13.1 13.1 13.1 13.1 13.1
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
ATV
AlPOd-25 REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
A1r2Pr204s Acmm (No. 67) Cba setting a = 9.4489 A b = 15.2028 A c = 8.4084 A Q = 90” p = 90” y = 90” Neutron Rietveld refinement, R,, = 0.041, RF2
=
0.133; At T = 593 K
J. W. Richardson, Jr., J. V. Smith and J. J. Pluth, J. Phys. Chem. 94, 3365-3367 (1990).
Atom All Al2 Pl P2 01 02 03 04 05 06
X
0.3535 0.1566 0.3535 0.1566 0.3017 0.5000 0.2317 0.3308 0.0000 0.1076
Y 0.0982 0.2500 0.0982 0.2500 0.0000 0.1275 0.1625 0.0971 0.2500 0.2500
z
Biso
OCC
0.1987 0.3142 0.1987 0.3142 0.2500 0.2500 0.2497 0.0000 0.2500 0.5000
2.63 0.92 2.63 0.92 1.95 2.08 2.53 2.95 1.84 5.76
0.5 0.5 0.5 0.5 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-802,
1996
673
AWW REFINED
Quinuclidine
( A1z4Pz40a6).
COMPOSITION: CRYSTAL
All Al2 Pl P2 01 02 03 04 05 06 Cl c2 c3 c5 C6 C8 c9 N P3 07 08
16:323-802,
1996
c = 15.463 ii y = 90” R = 0.18
J. W. Richardson, Jr., J. J. Pluth and J. V. Smith, Naturwiss. 76, 467-469 (1989). And J. J. Pluth, private communication (1990).
Atom
Zeolites
.4C7N
P4/ncc (No. 130) origin at i a = 13.628 A b = 13.628 k Q: = 90” p = 90” X-ray single crystal refinement.
DATA:
REFERENCE:
674
(PzOs.ds)
AIPOa-22
z 0.1360 0.4660 0.1354 0.6308 0.2565 0.4998 0.4258 0.5794 0.1060 0.599 0.250 0.282 0.274 0.227 0.219 0.250 0.250 0.250 0.250 0.164 0.276
Y 0.8640 -0.1419 0.8646 0.0185 -0.1166 -0.2584 -0.1044 -0.0795 -0.0629 0.0912 0.250 0.163 0.339 0.157 0.341 0.250 0.250 0.250 0.750 0.787 0.0852
z 0.2500 0.4284 0.7500 0.4214 0.2738 0.4317 0.3241 0.4309 0.1620 0.4905 0.739 0.389 0.389 0.302 0.302 0.249 0.298 0.4389 0.000 0.936 0.4213
Gso 0.63 0.843 0.737 0.79 1.08 1.107 1.37 1.343 1.5 2.683 12.633 12.633 12.633 12.633 12.633 12.633 12.633 12.633 0.87 0.71 5.267
occ 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.25 0.25 0.25 0.25 1.0 1.0 1.0 0.5 0.5 0.03
Beta,
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
polymorph
*BEA
A SiO, framework
$640128 P4r22 (No. 91) a = 12.661 A b = 12.661 A a = 90” p = 9o” DLS refinement.
c = 26.406 A y = 90”
J. M. Newsam, M. M. J. Treaty, W. T. Koetsier and C. B. deGruyter, Proc. Roy. Sot. (London) A420, 375-405 (1988).
Atom Sil Si2 Si3 Si4 Si5 Si6 Si7 Si8 Si9 010 011 012 013 020 021 022 030 031 032 040 041 050 051 052 060 061
X
0.33694 0.33711 0.71647 0.71656 0.95425 0.95434 0.14278 0.52836 0.52842 0.33623 0.33454 0.23433 0.44268 0.33456 0.23464 0.44301 0.71891 0.83544 0.64609 0.83559 0.64627 0.00000 0.95304 0.02844 0.00000 0.02874
Y 0.79277 0.54031 0.79300 0.54076 0.79364 0.54040 0.85722 0.85702 0.47158 0.66652 0.81732 0.84457 0.84276 0.51612 0.48822 0.49038 0.66690 0.83902 0.84874 0.49490 0.48518 0.82149 0.66702 0.84708 0.51256 0.48708
z
0.05619 0.05606 0.05872 0.05884 0.05555 0.05556 0.12500 0.12552 0.12500 0.06515 -0.00385 0.08279 0.08069 -0.00402 0.08264 0.08043 0.06809 0.06074 0.10222 0.06084 0.10242 0.00000 0.06321 0.09824 0.00000 0.09821
Zeolite beta is an intergrown material and *BEA represents the framework of a hypothetical end member. The P4322 (No. 95) topology can be generated by the coordinate transformation z -+ --z.
Zeolites
16:323-802,
1996
675
Beta,
REFINED
COMPOSITION: CRYSTAL
polymorph
si640128
DATA:
REFERENCE:
Cl 2/c 1 (No. 15) unique axis b, cell choice 1 a = 17.89654 A b = 17.92002 A c = 14.32815 A cl = 90” ,B = 114.803” y = 90” DLS refinement. J. M. Newsam, M. M. J. Treaty, W. T. Koetsier and C. B. deGruyter, Proc. Roy. Sot. (London) A420, 375-405 (1988).
Atom Sil Si2 Si3 Si4 Si5 Si6 Si7 Si8 Si9 010 013 012 013 020 021 022 030 031 032 033 040 041 051 052 060
X
0.60607 0.48332 0.79947 0.67495 0.91268 0.79042 0.50000 0.69528 0.50000 0.53355 0.64810 0.56790 0.67468 0.52172 0.38767 0.49034 0.73217 0.88292 0.76334 0.81946 0.70644 0.58064 0.83406 0.95542 0.76924
Zeolite beta is an inter-grown framework of a hypothetical
676
Zeolites
16:323-802.
B SiO, framework
1996
9 -0.02206 -0.14331 -0.21324 -0.33750 -0.33092 -0.45237 0.11084 -0.08286 -0.27723 -0.08379 -0.01901 0.05877 -0.04420 -0.14542 -0.11893 -0.22518 -0.27927 -0.24602 -0.14756 -0.18012 -0.42162 -0.32929 -0.38605 -0.33707 -0.52075
z 0.38112 0.37930 0.38677 0.38698 0.38275 0.38137 0.25000 0.25183 0.25000 0.34288 0.50530 0.33609 0.34022 0.50343 0.33454 0.33637 0.36034 0.38479 0.30231 0.49966 0.38400 0.30322 0.34599 0.30360 0.30078
material. Polymorph B represents end member of the beta family.
the
BIK
Bi kitaite
REFINED
COMPOSITION:
CRYSTAL
DATA:
Lil.ss(Si3.s9A12.13012).2H20 Bikita, Zimbabwe. Pl
(No.
1)
a = 8.6071 A
b = 4.9540 8, c = 7.5972 A a = 89.900” p = 114.437” y = 89.988’ Neutron single crystal refinement, R, = 0.056 REFERENCE:
K. Stbhl, A. Kvick and S. Ghose, Zeolites 9, 303-311 (1989).
Atom
X
Lil Li2 Sill Si12 Si22 Si23 All3 A121 011 012 013 014 015 016 021 022 023 024 025 026 Hll H12 H21 H22 017 027
0.3095 0.6995 0.1057 0.1038 0.8920 0.6187 0.3803 0.8985 0.2641 0.0830 0.1584 0.0557 0.2612 0.4496 0.7311 0.9283 0.8414 0.9378 0.7318 0.5593 0.3230 0.4870 0.6853 0.5214 0.4083 0.5991
Y 0.3657 0.8655 0.8645 0.8006 0.2984 0.3748 0.8749 0.3639 0.7404 0.1853 0.8281 0.4868 0.8920 0.1940 0.2433 0.7021 0.3281 0.9872 0.3929 0.6797 0.2849 0.1784 0.7872 0.6763 0.3224 0.8225
2
B.150
occ
0.1469 0.8722 0.0975 0.5049 0.4877 0.0630 0.9374 0.9065 0.0569 0.0413 0.3279 0.5173 0.6947 0.0282 0.9552 0.9708 0.6655 0.4657 0.2966 0.9807 0.4786 0.4863 0.5420 0.5343 0.4347 0.5871
1.07 1.36 0.42 0.51 0.53 0.41 0.58 0.58 0.85 0.97 1.49 1.50 1.34 0.88 0.85 0.98 1.52 1.45 1.29 0.85 5.96 5.21 6.35 5.28 2.35 2.35
0.91 0.947 0.957 0.981 0.981 0.975 1.061 1.066 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-602,
1996
677
BOG
Boggsite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
Atom Sil Si2 Si3 Si4 Si5 Si6 All Al2 A13 Al4 A15 Al6 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 Hz01 Hz02 Hz03 Hz04 HZ05 Hz06 Ha07 Hz08 Hz09 Hz010 Ha011
678
Zeolites
16:323-802,
1996
(Si77.76A11s,240192).137.04H20 Goble area, Oregon. U.S.A. Imma (No. 74) a = 20.236 A b = 23.798 A /.3 = 90” CY= 90” X-ray single crysta.1 refinement?
c = 12.798 A y = 90”
R, = 0.094
J. J. Pluth and J. V. Smith, Am. Mineral. 75, 501-507 (1990).
2
0.18881 0.19006 0.07689 0.07768 0.22108 0.12270 0.18881 0.19006 0.07689 0.07768 0.22108 0.12270 0.18820 0.11940 0.195000 0.190000 0.119400 0.089300 0.000000 0.000000 0.194400 0.097800 0.095900 0.200700 0.094900 0.250000 0.250000 0.000000 0.193600 0.193000 0.107400 0.000000 0.000000 0.056200 0.043100 0.149000 0.106000 0.206000
Y 0.18550 0.02407 0.18517 0.022100 0.083000 0.083710 0.18550 0.02407 0.18517 0.02210 0.08300 0.08371 0.250000 0.170700 0.145600 0.070200 0.031900 0.250000 0.173800 0.026300 0.037900 0.146400 0.072500 0.080000 0.039500 0.175500 -0.037500 0.173500 0.170100 0.250000 0.175400 0.175000 0.028400 0.114700 0.081200 0.250000 0.250000 0.250000
2
0.67190 0.32970 0.83570 0.164300 0.537800 0.965600 0.67190 0.32970 0.83570 0.16430 0.53780 0.96560 0.629100 0.732200 0.567900 0.423600 0.272200 0.873100 0.804300 0.196800 0.620400 0.932700 0.081300 0.968200 0.884700 0.750000 0.750000 0.136000 0.203000 0.057000 0.372000 0.570000 0.429000 0.410000 0.626000 0.237000 0.086000 0.401000
&so 1.38 1.54 1.29 1.41 1.35 1.35 1.38 1.54 1.29 1.41 1.35 1.35 2.37 2.67 2.76 2.85 2.85 2.22 2.46 3.15 4.26 3.09 3.48 5.61 3.63 3.15 3.39 55.26 37.89 19.74 33.96 113.7 26.07 19.74 21.33 14.22 15.0 34.74
occ 0.81 0.81 0.81 0.81 0.81 0.81 0.19 0.19 0.19 0.19 0.19 0.19 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.85 1.35 0.92 1.16 3.2 0.91 0.63 0.77 0.5 0.61 1.32
BPH
Beryllophosphate-H
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
Nas.3sK5.4g(Bel4P140~s).30.48H20 P321 (No. 150) a = 12.5815 A b = 12.5815 A cl = 90” p = 90” X-ray Rietveld refinement, R,,
c = 12.4508 f% y = 120” = 0.192, RF = 0.106
G. Harvey, Ch. Baerlocher and T. Wroblewski, Z. Kristallogr. 201, 113-123 (1992).
Atom
2
Nal Na2 Kl K2 Be1 Be2 Be3 Pl P2 P3 01 02 03 04 05 06 07 08 09 010 Hz01 Hz02 Hz03 H&4 H205
0.3333 0.184 0.6260 0.5230 0.6667 0.3576 0.6996 0.3333 0.4907 0.5609 0.5696 0.3333 0.4332 0.4078 0.5869 0.4231 0.4102 0.5842 0.6548 0.5705 0.406 0.079 0.045 0.044 0.647
Y 0.6667 0.164 0.0000 0.0000 0.3333 0.4981 0.5607 0.6667 0.3534 0.6992 0.3736 0.6667 0.5920 0.4054 0.8005 0.7992 0.2168 0.4242 0.6592 0.7509 0.282 -0.070 0.237 0.168 0.622
z
0.502 0.317 0.5000 0.0000 0.1311 0.2681 0.3819 0.1199 0.2699 0.3793 0.1701 -0.0013 0.3659 0.2520 0.2973 0.1584 0.2954 0.3611 0.3646 0.4945 -0.002 0.160 -0.116 0.515 0.129
BiSO occ 1.02 14.28 1.02 13.59 0.09 3.09 0.33 0.08 1.74 1.11 3.24 2.46 0.09 0.09 3.72 0.96 0.09 1.74 2.85 1.65 7.41 18.54 12.0 9.09 10.65
1.0 1.06 1.0 0.83 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.25 0.83 1.06 1.02 0.92
Zeolites
16:323-802,
1996
679
BRE
Brewsterite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
680
Zeolites
16:323-802,
1996
Ba~.~~Sr~,~s(Si~~A1~0~~)~10H~O Strontian, Argyll, Scotland. Pl 21/m 1 (No. 11) unique axis a = 6.793 A b = 17.573 A a = 90” p = 94.54” X-ray single crystal refinement,
b c = 7.759 A y = 90” R, = 0.06
J. L. Schlenker, J. J. Pluth and J. V. Smith, Acta Cryst. B33, 2907-2910 (1977).
Atom
2
Ba Sr Sil Si2 Si3 Si4 All Al2 Al3 Al4 01 02 03 04 05 06 07 08 09 Hz01 Hz02 Hz03 Hz04
0.2501 0.2501 0.3218 0.4054 0.5553 0.9087 0.3218 0.4054 0.5553 0.9087 0.3501 0.4218 0.7825 0.4500 0.0850 0.2228 0.3851 0.0000 0.5718 0.0598 0.9286 0.5996 0.0665
Y 0.2500 0.2500 0.0812 0.0566 0.1582 0.0528 0.0812 0.0566 0.1582 0.0528 0.1059 0.1240 0.1211 0.1408 0.0920 0.9966 0.9921 0.0000 0.2500 0.2500 0.1474 0.2500 0.2500
.z 0.1780 0.1780 0.8224 0.2108 0.5336 0.6410 0.8224 0.2108 0.5336 0.6410 0.0283 0.3607 0.5454 0.7150 0.7615 0.2388 0.7952 0.5000 0.4994 0.4699 0.1518 0.0241 0.8660
&I3 1.19 1.19 1.1 1.2 1.09 1.01 1.1 1.2 1.09 1.01 1.78 2.32 1.93 1.99 2.33 2.76 1.83 3.19 2.81 4.14 5.6 4.39 4.25
occ 0.26 0.74 0.75 0.75 0.75 0.75 0.25 0.25 0.25 0.25 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
CAN
Cancrinite
REFINED
COMPOSITION:
CRYSTAL
Nas(SisAls024).1.2COs.2HzO Synthetic crystal. P63 (NO. 173) a = 12.635 A b = 12.635 A ff = 90” p = 90” X-ray single crystal refinement,
DATA:
REFERENCE:
c = 5.115 A y = 120” R = 0.04
Y. I. Smolin, Y. F. Shepelev, I. K. Butikova Kristallografiya 26, 63-66 (1981).
Atom Nal Na2 Si Al 01 02 03 04 C 05 H20
2
Y
z
&so
occ
0.6667 0.1254 0.3300 0.0772 0.2019 0.1157 0.0329 0.3161 0.0 0.1179 0.378
0.3333 0.2521 0.4115 0.4121 0.4035 0.5619 0.3526 0.3582 0.0 0.0603 0.701
0.1354 0.2943 0.7500 0.75 0.6586 0.7248 0.0588 0.0486 0.173 0.173 0.179
1.86 1.21 0.32 0.27 0.56 0.74 0.69 0.72 3.27 1.57 5.28
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.595 0.6 0.333
and I. B. Kobyakov,
Zeolites
16:323-802,
1996
681
CAN
Tiptopite
REFINED
COMPOSITION:
CRYSTAL
(Li2.aNai,7KzCa.e7)Bes(P04)606 Tip Top Mine. Custer, S. Dakota.
DATA:
P63 (No. 173) a = 11.655 A b = 11.655 A cl = 90” ;j = 90” X-ray single crystal refinement,
REFERENCE:
D. R.. Peacor, Am. Mineral.
Atom Li Na K Ca Be P 01 02 03 04 05 06 07 08
05 represents
682
Zeolites
16:323-802,
1996
c = 4.692 ii y = 120” R, = 0.048
R. C. Rouse and J. H. .4hn, 72, 816-820 (1987).
X
Y
2
0.2207 0.2207 0.3333 0.2207 0.338 0.0851 0.1902 0.1378 0.0547 0.3302 0.0000 0.064 0.066 0.168
0.1137 0.1137 0.6667 0.1137 0.418 0.4167 0.3843 0.5647 0.3801 0.3747 0.0000 0.130 0.130 0.322
0.7486 0.7486 0.253 0.7486 0.746 0.7500 0.6518 0.7027 0.0688 0.0862 0.253 0.378 0.097 0.236
a hydroxyl
U.S.A.
(OH)
Biso 2.32 2.32 2.04 2.32 0.63 0.5 0.97 0.75 0.95 0.65 2.67 1.58 1.58 1.58
in the channel.
occ
0.483 0.283 1.0 0.1167 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.25 0.25 0.17
CM
Cs-Aluminosilicate
REFINED
COMPOSITION: CRYSTAL
Cs3,2s(Si2404s)
DATA:
Ama (no. 40) a = 16.776 A
b = 13.828 A a! = 90” p = 90” X-ray single crystal refinement, REFERENCE:
T. Araki, Z. Kristallogr.
Atom CS Sil Si2 Si3 01 02 03 04 05 06 07
Coordinates
z
Y
0.2500 0.05281 0.15709 0.08952 0.00000 0.25000 0.12235 0.09931 0.02323 0.11123 0.14838
converted
152, 207-213
0.20406 0.74134 0.42622 0.02677 0.00000 0.41029 0.32339 0.14024 0.73969 0.45939 0.00661
from Bbm2
c = 5.021 H, y = 90”
R, = 0.0549
(1980).
2 0.00000
0.04651 0.41971 0.40524 0.31644 0.35466 0.51936 0.48097 0.35550 0.15344 0.15333
@so 4.665 1.469 1.404 1.444 2.851 4.888 3.97 3.014 2.718 4.334 2.614
occ 0.814 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
(bai?) setting.
Zeolites
16:323-802,
1996
683
CHA
Chabazite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
K4.16(Sis.16A13.s4024).7.23H20 North East Azerbaijan, Iran. Rzrn (No. 166) rhombohedral setting a, = 9.459 A b = 9.459 H, c = 9.459 A Q = 94.07” ;3 = 94.07” y = 94.07” X-ray single crystal refinement, R = 0.05 M. Calligaris, G. Nardin and L. Randaccio, Zeolites 3. 205-208 (1983).
Atom Kl K2 K3 Si Al 01 02 03 04 H201 H202 Hz03
684
Zeolites
16:323-802.
1996
X
0.2222 0.5611 0.5255 0.1033 0.1033 0.2665 0.1506 0.2503 0.0204 0.0 0.7387 0.4469
Y 0.2222 0.5611 0.5255 0.3331 0.3331 -0.2665 -0.1506 0.2503 0.0204 0.50 0.7387 0.4469
z
&so
occ
0.2222 0.2506 0.1064 0.8743 0.8743 0.0 0.5 0.8930 0.3193 0.50 0.4784 0.2260
0.529 2.277 2.5 0.223 0.223 0.579 0.52 0.559 0.406 3.2 2.0 3.2
0.97 0.15 0.22 0.68 0.32 1.0 1.0 1.0 1.0 0.61 0.77 0.13
Methylbutylamine
REFINED
COMPOSITION: CRYSTAL
SAPO-47
(A15.47P5.37024) .2.06CsN
DATA:
REFERENCE:
R3 (No. 148) rhombohedral setting a = 9.3834 A b = 9.3834 A c = 9.3834 A CY= 94.085" /3 = 94.085" y = 94.085' X-ray single crystal refinement, R, = 0.068 J. J. Pluth and J. V. Smith, J. Phys. Chem. 93, 6516-6520
Atom Al P 01 02 03 04 Cl c2 c3 c4 c5 N
X
0.09888 0.33245 0.2580 0.1519 0.2542 0.0291 -0.132 0.112 0.189 0.334 0.449 0.009
(1989).
Y
.z
Biso
occ
0.33196 0.10847 -0.2704 -0.1445 0.2460 0.0104 0.524 0.492 0.353 0.382 0.303 0.480
0.87510 0.87466 -0.0127 0.4911 0.8876 0.3178 0.500 0.440 0.424 0.359 0.439 0.551
1.2 1.176 2.763 2.424 2.779 3.008 17.92 31.9 31.9 31.9 31.9 17.92
0.912 0.895 1.0 1.0 1.0 1.0 0.344 0.344 0.344 0.344 0.344 0.344
Zeolites
16:323-802,
1996
685
-CHI
Chiavennite
REFINED
COMPOSITION:
CRYSTAL
Ca4Mn4[(BeOH)4SiizOs2] .4H20 Val di San Giacomo, Chiavenna,
DATA:
Parub
29) cab setting b = 31.326 A cy= 90” ,3 = 9o” X-ray single crystal refinement,
a =
REFERENCE:
Atom
Zeolites
16:323-802,
1996
(No.
8.729
A
c = 4.903 A “i = 90” R = 0.041
V. Tazzoli, M. C. Domeneghetti, Eur. .J. Mineral. 1995 (in press).
Ca IMn Sil Si2 Si3 Be 01 02 03 04 05 06 07 08 OH Hz0
686
Italy
X
0.25000 0.00000 0.25000 0.58376 0.14247 -0.00037 0.13917 0.15170 0.04143 0.25000 0.25000 0.25000 0.07997 0.00055 0.01254 0.15815
Y 0.08789 0.00000 0.00131 0.23216 -0.13511 0.05722 -0.02785 0.03243 0.23906 -0.24779 -0.11875 -0.13872 -0.18239 -0.10438 0.05814 0.14739
F. Mazzi and E. Cannillo
L.
Biso
OCC
0.00000
1.45 1.20 0.98 1.46 1.53 0.69 1.22 1.21 3.23 2.25 6.10 0.28 2.70 1.63 1.63 2.93
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
0.00000
0.50000 0.10475 0.24360 --0.42986 0.31336 --0.29572 0.13475 0.00000 0.00000 0.50000 0.17734 0.27050 0.24296 0.26022
-CL0
Cloverite
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
(Ga7ssP7ss03072).F192096 Fm3c (No. 226) a = 51.7120 A b = 51.7120 A c = 51.7120 A a = 90” p = 90” y = 90” X-ray single crystal refinement, R, = 0.076 M. Estermann, L. B. McCusker, Nature 352, 320-322 (1991).
Ch. Baerlocher,
Atom
X
Y
z
&so
occ
Gal Ga2 Ga3 Ga4 Ga5 Pl P2 P3 P4 P5 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 017 018 019 Fl F2
0.1341 0.0370 0.0958 0.0 0.0 0.0888 0.0 0.0 0.1336 0.0446 0.0800 0.1059 0.1036 0.0657 0.1360 0.1339 0.1631 0.0237 0.0 0.0 0.0521 0.0242 0.0 0.1091 0.0675 -0.0289 0.0283 0.0 0.0 0.1335 0.0
0.3275 0.3507 0.3654 0.3242 0.3415 0.3656 0.3226 0.3876 0.3210 0.3097 0.3669 0.3885 0.3404 0.3679 0.3124 0.2970 0.3439 0.3376 0.3158 0.2979 0.3286 0.3795 0.3738 0.3344 0.3692 0.3436 0.3231 0.4161 0.3461 0.3664 0.3325
0.2780 0.3134 0.2236 0.2140 0.3801 0.2818 0.2769 0.3414 0.2180 0.3556 0.2542 0.2891 0.2866 0.2999 0.2458 0.2951 0.2914 0.2830 0.2475 0.2916 0.3360 0.3277 0.3670 0.2142 0.2010 0.2115 0.3764 0.3461 0.4150 0.25 0.3297
1.098 1.382 1.105 1.184 2.487 1.358 0.742 1.153 0.616 0.955 2.771 1.413 2.448 1.587 3.995 1.437 4.572 3.427 1.2 2.045 4.24 3.948 3.119 3.206 2.258 2.795 3.119 1.169 5.993 1.729 2.037
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
A. Merrouche
Zeolites
and H. Kessler,
16:323-802,
1996
687
CON
CIT-1
REFINED
CoMPosITIoN:
CRYSTAL
s&j60112 SSZ-33/SSZ-26
DATA:
REFERENCE:
Zeolites
16:323-802,
Polymorph
B SiOz framework.
Cl 2/m 1 (No. 12) unique axis b, cell choice 1 a = 22.6242 A b = 13.3503 A c = 12.3642 A ct = 90” ,!3 = 68.913” y = 90” X-ray Rietveld refinement, R,, = 0.136, RF = 0.106 R. F. Lobo and M. E. Davis, J. Am. Chem. Sot. 117, 3766-3779
Atom Sil Si2 Si3 Si4 Si5 Si6 Si7 08 09 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015
688
family,
1996
X
0.0677 0.1567 0.0734 0.2879 0.2770 0.0738 0.1480 0.0763 0.0784 0.1205 0.0000 0.2185 0.1097 0.1728 0.0852 0.0003 0.1271 0.3045 0.2721 0.3442 0.2102 0.3046 0.0873 0.0837
Y 0.1102 0.1889 0.1204 0.1171 0.1141 0.1195 0.1898 0.0000 0.1380 0.1669 0.1458 0.1200 0.1569 0.3005 0.0000 0.1379 0.1859 0.0000 0.1330 0.1888 0.1217 0.0000 0.0000 0.1783
(1994).
z
Biso
OCC
0.4914 0.2510 0.7390 0.1026 0.8607 0.1043 0.8835 0.4256 0.6085 0.3814 0.5000 0.2009 0.1860 0.2109 0.7309 0.8223 0.7717 0.1272 0.9904 0.0983 0.8382 0.8219 0.1087 0.9900
1.48 1.48 1.48 1.48 1.48 1.48 1.48 1.42 1.42 1.42 1.42 1.42 1.42 1.42 1.42 1.42 1.42 1.42 1.42 1.42 1.42 1.42 1.42 1.42
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
SSZ-33/SSZ-26
REFINED
COMPOSITION: CRYSTAL
DATA:
familv,
A SiO:, framework
Si5sO112
Pmna (No. 53) a = 13.26 A b = 12.33 H, Q = 90”
REFERENCE:
Polvmorph
c = 21.08 8, y = 90”
p = 90”
R. F. Lobo, M. Pan, I. Chan, H-X. Li, R. C. Medrud, and M. E. Davis. Science, 262, 1543 (1993).
Atom
X
Y
z
Sil Si2 Si3 Si4 Si5 Si6 Si7 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 017
0.111 0.114 0.211 0.113 0.198 0.112 0.116 0.192 0.123 0.129 0.000 0.150 0.184 0.000 0.311 0.117 0.000 0.134 0.190 0.314 0.137 0.000 0.141 0.000
0.208 0.158 0.030 0.463 0.359 0.960 0.711 0.148 0.168 0.336 0.180 0.269 0.061 0.135 0.017 0.018 0.494 0.500 0.525 0.330 0.361 0.969 0.835 0.700
0.074 0.927 0.150 0.072 0.849 0.271 0.278 0.117 0.002 0.078 0.099 0.895 0.903 0.908 0.181 0.204 0.091 0.000 0.118 0.836 0.783 0.299 0.263 0.298
SSZ-33/SSZ-26 represents a family of intergrown materials. framework is a hypothetical end member of the family.
S. I. Zones, P. A. Crozier
The polymorph
Zeolites
A
16:323-802,
1996
689
DAC
Dachiardite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
690
Zeolites
16:323-802,
1996
Ko.s~Ca2.7s(Si19,2A14.8048).12H20 Elba, Italy. Cl 2/m 1 (No. 12) unique axis b, cell choice 1 a = 18.676 .k b = 7.518 A c = 10.246 A a = 90” ,!3 = 107.87” y = 90” X-ray single crystal refinement, R, = 0.06 G. Vezzalini, Z. Kristallogr.
Atom
X
K Ca Sill Si12 Si21 Si22 Si3 Si4 All1 All2 A121 Al22 Al3 Al4 01 02 031 032 04 05 06 07 08 09 Ha01 Hz02 Hz03 Hz04 Hz05
0.4544 -0.0091 0.2905 0.2846 0.1914 0.1929 0.0964 0.0816 0.2905 0.2846 0.1914 0.1929 0.0964 0.0816 0.3636 0.1162 0.2188 0.2382 0.1002 0.1688 0.3098 0.2335 0.2427 0.0103 -0.0084 0.0884 0.0694 0.0724 0.0860
166, 63-71 (1984).
Y 0.0 0.2598 0.2084 0.2053 0.2901 0.2978 0.0 0.0 0.2084 0.2053 0.2901 0.2978 0.0 0.0 0.3239 0.1770 0.2642 0.2370 0.0 0.5000 0.0 0.2452 0.2777 0.0 0.5 0.0 0.1037 0.3931 0.5000
z 0.4626 0.1297 0.1496 0.1660 0.3371 0.3714 0.7007 0.3793 0.1496 0.1660 0.3371 0.3714 0.7007 0.3793 0.2168 0.3265 0.2070 0.2652 0.5457 0.3487 0.1759 0.0131 0.5249 0.7080 0.2668 0.0330 0.0261 0.0258 0.0310
&so
10.3 7.8 1.2 1.1 1.3 1.0 1.1 1.2 1.2 1.1 1.3 1.0 1.1 1.2 3.3 3.1 2.4 4.3 4.3 4.0 3.5 3.2 2.9 1.9 5.4 6.7 7.5 6.5 6.0
occ
0.156 0.345 0.4 0.4 0.4 0.4 0.8 0.8 0.1 0.1 0.1 0.1 0.2 0.2 1.0 1.0 0.5 0.5 1.0 1.0 1.0 0.5 0.5 1.0 1.0 0.5 0.25 0.25 0.5
Nz, 1-aminoadamantane
REFINED
COMPOSITION: CRYSTAL
DATA:
Deca-Dodecasil
DDR
3R
(Si12002*0).Cs9Ns R%rz (No. 166) hexagonal setting b = 13.860 A c = 40.891 A a = 90” p = 90” y = 120” X-ray single crystal refinement, R, = 0.066
a = 13.860 A
REFERENCE:
H. Gies, Z. Kristallogr.
Atom Sil Si2 Si3 Si4 Si5 Si6 Si7 01 02 03 04 05 06 07 08 09 010 011 C512 Nl Cl c2 c3 c4 Nil Cl1 c21 c31 c41
2
0.7267 0.1264 0.2020 0.1227 0.2256 0.0000 0.0000 0.3576 0.2792 0.4067 0.2277 0.1767 0.3233 0.5401 0.2713 0.1780 0.1870 0.0000 0.5000 0.0000 0.0000 0.0596 0.0596 0.1192 0.0000 0.0000 0.0596 0.0596 0.1192
175, 93-104
(1986).
Y
z
So
occ
0.0511 0.2527 0.4039 0.2454 0.0000 0.0000 0.0000 0.3881 0.3749 0.2954 0.4554 0.3534 0.1616 0.2700 0.5426 0.3561 0.0000 0.0000 0.0000 0.0000 0.0000 0.1192 0.1192 0.0596 0.0000 0.0000 0.1192 0.1192 0.0596
0.0700 0.1095 0.1711 0.2325 0.0000 0.2039 0.1280 0.6358 0.5768 0.5889 0.6589 0.7447 0.5391 0.5494 0.5529 0.5230 0.5000 0.1661 0.5000 0.4455 0.4095 0.3954 0.3577 0.3438 0.2815 0.3175 0.3317 0.3694 0.3833
0.76 0.76 0.2 0.6 0.82 1.53 0.87 2.37 1.45 1.96 3.76 2.24 3.01 3.7 2.49 3.33 1.65 4.47 15.112 40.908 37.228 14.915 28.274 14.654 15.728 23.237 8.598 4.461 15.404
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.9 0.9 0.9 0.9 0.9 0.1 0.1 0.1 0.1 0.1
Zeolites
16:323-802,
1996
691
DFO
Decamethonium
REFINED
COMPOSITION: CRYSTAL
(Siis202a4).23C
DATA:
Atom Sil Si2 Si3 Si4 Si5 Si6 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 017 Cl c2 c3 c4 c5 C6
692
Zeolites
16:323-802,
PG/mmm (No. 191) a = 22.351 A b = 22.351 A Q = 90” p = 90” X-ray single crystal refinement,
c = 21.693 A y = 120” R, = 0.122
P. A. Wright, R. H. Jones, S. Natarajan, R. G. Bell, J. Chen, M. B. Hursthouse and J. M. Thomas, J. Chem. Sot. Chem. Comm. (1993).
REFERENCE:
Refined
DAF-1
x 0.0803 0.1471 0.0816 0.0811 0.1217 0.0782 0.0993 0.0923 0.1063 0.1306 0.1298 0.0847 0.0 0.1375 0.0 0.0 0.0 0.0953 0.2295 0.0935 0.2050 0.1293 0.0974 0.5 0.4453 0.5197 0.66667 0.6406 0.5949
in higher symmetry
1996
9 0.3024 0.4356 0.4710 0.4703 0.3812 0.2904 0.3514 0.3520 0.4430 0.4517 0.4794 0.3203 0.2363 0.2750 0.2285 0.4158 0.4188 0.4615 0.4590 0.5468 0.4101 0.2586 0.5487 0.0 0.0246 0.0394 0.33333 0.2811 0.2974
t 0.50000 0.1836 0.2940 0.0727 0.3706 0.2486 0.1995 0.4391 0.3533 0.1122 0.2351 0.3175 0.5 0.5 0.2361 0.879 0.2775 0.0 0.1903 0.3133 0.3678 0.2404 0.0867 0.5 0.5 0.4403 0.2688 0.3088 0.3129
Biso 1.87 1.88 1.8 2.27 1.97 2.05 3.71 4.1 3.48 3.49 4.37 3.98 3.29 4.37 2.88 4.33 3.55 3.76 3.45 2.78 2.8 2.8 4.36 11.84 11.84 11.84 11.84 11.84 9.67
space group (PG/mmm)
occ 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.3333 0.3333 1.0 0.3333 0.3333
with
disordered
T-sites.
Nz, Piperidine
REFINED
COMPOSITION: CRYSTAL
DATA:
(SisdOss)
Dodecasil
.15.4C
PG/mmm (No. 191) a = 13.783 A b = 13.783 A cl! = 90” p = 9o” X-ray single crystal refinement,
REFERENCE:
c = 11.190 A y = 120”
R, = 0.077
H. Gerke and H. Gies, Z. Kristallogr. 166, 11-22 (1984).
Atom Sil Si2 Si3 Si4 01 02 03 04 05 06 07 Cl c2 c3 c4 c5 C6 c7 C8 c9 Cl0 Cl1 Cl2 Cl3 Cl4 Cl5 Cl6
U33
1H
17: 0.4186 0.3868 0.2628 0.3333 0.1052 0.5429 0.3405 0.3601 0.1865 0.5 0.3333 0.333 0.381 0.309 0.230 0.0 0.092 0.122 0.0 0.140 0.0 0.038 0.040 0.041 0.085 0.0 0.199
Y
2
0.2093 0.0
0.2252 0.3627 0.0 0.1384 0.3031 0.8164 0.1139 0.5 0.0 0.3451 0.0 0.356 0.402 0.436 0.500 0.036 0.0 0.0 0.0 0.122 0.296 0.380 0.458 0.316 0.398 0.049 0.462
0.1314 0.6667 0.3933 0.2715 0.1702 0.0 0.0 0.0 0.6667 0.667 0.762 0.618 0.760 0.5 0.636 0.531 0.431 0.570 0.0 0.010 0.080 0.082 0.0 0.0 0.398
&so 2.12 2.36 1.63 1.95 6.49 5.56 4.38 4.49 4.0 7.25 10.14 10.26 10.26 10.26 10.26 10.26 10.26 10.26 10.26 10.26 10.26 10.26 10.26 10.26 10.26 10.26 10.26
occ 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1
for 01 changed from 0.7570 to 0.0757 when computing
Bi,.
Zeolites
16:323-602,
1996
693
EAB
Bell bergite
REFINED
COMPOSITION:
CRYSTAL
(K:!CasSrz)(Si1s.45All7.55072).30HzO Bellberg Volcano, Eifel, Germany.
DATA:
REFERENCE:
694
Zeolites
16:323-802,
PBs/mmc (No. 194) a = 13.244 A b = 13.244 ii o! = 90” p = 90” X-ray single crystal refinement, B. Riidinger, E. Tillmanns Mineralogy and Petrology
Atom
X
K Cal Ca2 Sr Sil Si2 All Al2 01 02 03 04 05 H201 H202 Hz03 H&4 Hz05
0.105 0.0 0.33333 0.33333 0.4215 0.2476 0.4215 0.2476 0.1127 0.6818 0.958 0.2295 0.4590 0.33333 0.413 0.587 0.218 0.0
1996
Y 0.210 0.0 0.66667 0.66667 0.3313 0.0 0.3313 0.0 0.225 0.000 0.327 0.459 0.918 0.66667 0.826 0.174 0.436 0.0
c = 15.988 ii ?; = 120” R = 0.122
and G. Hentschel, 48, 147~-152 (1993).
z
&so
occ
0.25 0.0 0.130 0.9119 0.1538 0.0 0.1538 0.0 0.003 0.9158 0.25 0.864 0.862 0.75 0.25 0.965 0.159 0.643
5.0 0.5 6.9 2.4 1.09 0.36 1.09 0.36 0.5 1.2 2.1 1.6 1.8 5.0 3.5 3.0 3.6 1.4
0.3333 1.0 1.0 0.5 0.5125 0.5125 0.4875 0.4875 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.5 1.0 1.0
(Na, tetramethvlammoniumbE
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
(Si26.6A19.4072).39.5H20 PG&rur~ (No. 194) a = 13.28 A b = 13.28 A c = 15.21 A o! = 90” p = 90” y = 120” X-ray powder refinement, R = 0.19 W. M. Meier and M. Groner, J. Solid State Chem. 37, 204-218
Atom
X
Sil Si2 All Al2 01 02 03 04 05 Hz01 H202 Hz03 Hz04 &05 H2O6 Hz07
0.233 0.425 0.233 0.425 0.309 0.212 0.478 0.399 0.536 0.6667 0.461 0.454 0.0 0.068 0.35 0.708
Y 0.0 0.093 0.0 0.093 -0.003 0.106 0.239 0.081 0.072 0.3333 -0.078 0.227 0.0 0.136 0.175 0.354
z 0.0 0.146 0.0 0.146 0.088 0.006 0.117 0.25 0.106 -0.003 0.25 -0.122 -0.184 0.75 0.75 -0.073
(1981).
&so 0.9 2.4 0.9 2.4 0.8 0.5 3.2 2.6 2.0 5.0 2.0 5.0 0.6 0.9 5.0 2.1
occ 0.739 0.739 0.261 0.261 1.0 1.0 1.0 1.0 1.0 0.87 0.5 0.91 1.19 0.7 1.21 0.49
Zeolites
16:323-602,
1996
695
EDI
Edingtonite
REFINED
COMPOSITION:
CRYSTAL
Bai.g5(SiaA14Ozc).7HzO Bathurst, New Brunswick,
DATA:
P21212 (No. 18)
a = 9.537 A cl = 90" Neutron REFERENCE:
Ba Sil Si2 Al 01 02 03 04 05 Hl H2 06 H3 H4 07
Zeolites
16:323-602,
b = 9.651 A B = 90"
single crystal
c = 6.509 A y = 90" refinement, R,, = 0.070, Rp = 0.055
A. Kvick and J. V. Smith, J. Chem. Phys. 79 (5), 2356-2362
Atom
696
Canada.
1996
(1983).
X
Y
z
&so
0.5 0.0 -0.17568 0.09245 0.17414 -0.05301 0.19836 0.03649 -0.13505 0.13081 0.23738 0.17627 0.30048 0.41511 0.37851
0.0 0.0 0.09407
0.63117 0.01365 0.38762 0.62657 0.63273 0.46728 0.53741 0.87695 0.15743 0.05620 0.06351 0.14994 0.04942 0.03767 -0.02375
1.24 0.55 0.57 0.42 0.68 0.67 0.78 1.16 1.03 3.03 6.97 1.73 6.68 4.22 3.2
0.17139 0.33126 0.19639 0.03763 0.13362 0.03586 0.26044 0.36941 0.32248 0.08839 0.20440 0.12200
occ 0.974 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.844 0.844 0.844 0.909 0.909 0.909
Na-exchanged
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
K-F
Nag (Si5A15Ozo) -4.8H20 Pz21m (No. 113) a = 10.056 A b = 10.056 A c = 6.68 A Q = 90” p = 90” y = 90” X-ray powder refinement, RI = 0.17 Ch. Baerlocher Z. Kristallogr.
Atom Nal Na21 Na22 Sil Si2 All A12 01 02 03 .&04 Hz05 H2O6
and R. M. Barrer, 140, lo-26 (1974).
2
Y
z
Biso
0.242 -0.101 0.0 0.0 0.127 0.0 0.127 0.099 -0.018 0.240 0.147 0.112 0.0
0.258 0.399 0.5 0.0 0.134 0.0 0.134 0.093 0.184 0.260 0.353 0.387 0.5
-0.059 0.324 0.325 0.0 0.375 0.0 0.375 0.133 0.466 0.389 -0.272 -0.054 -0.181
1.9 2.6 0.4 4.5 1.0 4.5 1.0 2.7 3.7 0.9 1.7 1.8 1.8
OCC
0.78 0.92 0.60 0.5 0.5 0.5 0.5 1.0 1.0 1.0 0.50 0.52 0.36
Zeolites
16:323-802,
1996
697
EMT
Calcined
REFINED
COMPOSITION: CRYSTAL
Nas,3(Si76,03A119,970192).6H20
DATA:
REFERENCE:
Nal Na2 Na3 Sil Si2 Si3 Si4 All Al2 Al3 Al4 01 02 03 04 05 06 07 08 09 010 011 012 Hz0
Zeolites
16:323-802,
P6s/mmc (No. 194) a = 17.3864 8, b = 17.3864 A c = 28.3459 A a = 90” p = 90” y = 120” X-ray R.ietveld refinement, Rexp = 0.181, R,, = 0.206. RF = 0.074 Ch. Baerlocher, L. B. McCusker and R. Chiappetta, Microporous Materials 2, 269--280 (1994).
Atom
698
EMC-2
1996
zz 0.589 0.66667 0.3571 0.3734 0.4275 0.4874 0.4867 0.3734 0.4275 0.4874 0.4867 0.457 0.292 0.340 0.403 0.425 0.356 0.528 0.478 0.594 0.472 0.591 0.453 0.709
Y
z
0.177 0.33333 0.179 0.0962 0.034 0.1546 0.1521 0.0962 0.034 0.1546 0.1521 0.130 0.0 0.170 0.093 0.069 -0.072 0.056 0.239 0.188 0.236 0.1818 0.117 0.291
0.047 0.627 0.388 0.0167 0.1069 -0.0730 0.1961 0.0167 0.1069 -0.0730 0.1961 -0.0187 0.0 0.018 0.0713 0.1601 0.1103 0.094 -0.092 -0.074 0.181 0.187 0.25 0.080
@so occ 2.527 2.527 2.527 0.869 0.869 0.869 0.863 0.869 0.869 0.869 0.869 1.5 1.5 1.5 1.5 1.5 1.5 1.5 1.5 1.5 1.5 1.5 1.5 2.527
0.25 0.325 0.333 0.792 0.792 0.792 0.792 0.208 0.208 0.208 0.208 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.5
Partially
REFINED
COMPOSITION: CRYSTAL
DATA:
dehydrated
EMT
EMC-2
Naze(Si 76.o3A119.970216).6OC.22.6H20
P~~/vw~xc (NO. 194) a = 17.3741 A b = 17.3741 A c = 28.3646 A p = 90” y = 120” Q = 90” X-ray Rietveld refinement, Rexp = 0.037, R,, = 0.186,
REFERENCE:
RF = 0.068
Ch. Baerlocher, L. B. McCusker and R. Chiappetta, Microporous Materials 2, 269-280 (1994).
Atom
X
Sil All Si2 Al2 Si3 Al3 Si4 Al4 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 Cl c2 c3 Hz01 Hz02 Hz03 Nal Na2 Na3 Na4 Na5 Na6
0.370 0.370 0.429 0.429 0.488 0.488 0.489 0.489 0.459 0.288 0.333 0.396 0.427 0.361 0.531 0.473 0.594 0.478 0.592 0.460 0.409 0.561 0.103 0.170 0.498 0.511 0.176 0.717 0.333 0.106 0.333 0.667 0.344 0.0 0.333 -0.404
Y 0.096 0.096 0.037 0.037 0.155 0.155 0.154 0.154 0.130 0.0 0.167 0.088 0.069 -0.071 0.063 0.236 0.188 0.239 0.183 0.127 0.591 0.781 0.206 0.085 0.630 0.689 0.190 0.283 -0.333 0.007 0.667 0.333 0.172 0.0 0.667 0.192
z
&so
occ
0.018 0.018 0.108 0.108 -0.070 -0.070 0.195 0.195 -0.015 0.0 0.015 0.073 0.162 0.105 0.093 -0.087 -0.075 0.179 0.186 0.25 0.25 0.205 0.094 0.137 0.235 0.192 0.149 0.073 0.003 0.044 0.111 0.156 0.110 0.132 0.25 0.034
1.34 1.34 1.34 1.34 1.34 1.34 1.34 1.34 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 4.97 4.97 4.97 4.97 4.97 4.97 4.97 4.97 4.97 4.97 3.0 3.0 3.0 3.0 3.0 3.0
0.792 0.208 0.792 0.208 0.792 0.208 0.792 0.208 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.5 0.5 0.5 0.75 0.75 1.0 0.667 0.65 0.5 0.5 0.5 0.5 0.5 1.0 0.5
Zeolites
16:323-602,
1996
699
EPI
Epistil bite
REFINED
COMPOSITION:
CRYSTAL
(Nal.o*Ca2.56)(Si17.76A16.24048).15.75H20 Teigerhorn, Iceland.
DATA:
REFERENCE:
700
Zeolites
16:323-802,
Cl 2/m 1 (No. 12) unique axis b, cell choice 1 a = 9.08 A b = 17.74 A c = 10.25 A cy = 90” ,l3 = 124.54” “i = 90” X-ray single crystal refinement, R, = 0.16 A. 3. Perrotta, Mineral. Mag. 36, 480~-490 (1967)
1996
Atom
X
Na Ca Sil Si2 Si3 All Al2 Al3 01 02 03 04 05 06 07 08 09 Hz01 Hz02 Hz03 Hz04
0.760 0.760 0.001 0.293 0.707 0.001 0.293 0.707 0.021 0.0 0.812 0.170 0.5 0.5 0.75 0.773 0.25 0.724 0.0 0.559 0.5
Y 0.0 0.0 0.088 0.208 0.197 0.088 0.208 0.197 0.0 0.100 0.117 0.134 0.180 0.179 0.25 0.233 0.25 0.0 0.078 0.082 0.0
z 0.251 0.251 0.161 0.390 0.097 0.161 0.390 0.097 0.215 0.0 0.132 0.309 0.0 0.5 0.0 0.261 0.5 0.502 0.5 0.281 0.0
ho 2.6 2.6 0.6 0.8 1.1 0.6 0.8 1.1 0.8 2.0 1.7 1.5 3.1 1.1 4.6 4.7 4.6 4.9 4.9 4.0 3.3
occ 0.26 0.64 0.74 0.74 0.74 0.26 0.26 0.26 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.875 0.875 0.875 0.875
ERI
Erionite
REFINED
COMPOSITION:
CRYSTAL
(Na l.ssK2Mgo.7Cal.3)(Si27AlgO72).6.l2H20 Wenatchee, Washington, U.S.A.
DATA:
REFERENCE:
P63/mmc (No. 194) a = 13.27 A b = 13.27 ii a! = 90” p = 90” X-ray single crystal refinement,
c = 15.05 A y = 120” R = 0.15
J. A. Gard and J. M. Tait, Proc. Third Inter. Conf. on Molec. Sieves, Recent Prog. Reports Zurich, Ed. by J. B. Uytterhoeven, Leuven University Press, 94-99 (1973).
Atom
X
Nal Na2 K
0.3333 0.5 0.0 0.66667 0.3333 0.5 0.66667 0.00021 0.0935 0.00021 0.0935 0.0267 0.0979 0.1258 0.2638 0.2293 0.4603 0.4890 0.2490 0.8950
Mg Cal Ca2 Ca3 Sil Si2 All Al2 01 02 03 04 05 06 Hz01 H202 Hz03
Y 0.6667 0.0 0.0 0.33333 0.6667 0.0 0.33333 0.23350 0.4245 0.23350 0.4245 0.3493 0.1957 0.2516 0.0 0.4585 0.9206 0.2450 0.4970 0.4480
z 0.14 0.0 0.25 0.2030 0.14 0.0 0.0730 0.10446 0.2500 0.10446 0.2500 0.1610 0.1264 0.6339 0.0 0.25 0.25 0.25 0.0160 0.0950
&so 3.0 3.1 1.98 3.0 3.0 3.1 3.6 0.90 1.10 0.90 1.10 2.42 1.65 1.90 2.45 2.1 2.8 4.6 1.9 4.2
occ 0.30 0.11 1.0 0.175 0.07 0.04 0.195
0.75 0.75 0.25 0.25 1.0 1.0 1.0 1.0 1.0 1.0 0.34 0.11 0.23
Zeolites
16:323-802,
1996
701
ERI
Piperidine
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
702
Zeolites
16:323-602.
1996
AIPOA-17
(A118P18072).C2404.14 P63/m (No. 176) n = 13.2371 A b = 13.2371 A c = 14.7708 A I2 = 90” p = 90” y = 120” X-ray single crystal refinement, R, = 0.081 J. J. Pluth, Acta Cryst.
Atom
.T
All Al2 PI P2 01 011 02 03 04 05 06 07 Cl c2
0.7708 0.0999 0.9989 0.5675 0.0365 0.6373 0.0826 0.1432 0.2773 0.2468 0.4584 0.1721 0.3770 0.4590
J. V. Smith and J. M. Bennett, C42, 283-286 ( 1986).
:Y 0.9983 0.4214 0.2369 0.9079 0.3435 0.9669 0.1910 0.2640 0.0030 0.4693 0.9171 0.1876 0.7930 0.7490
2
0.1180 0.2500 0.0938 0.2500 0.1529 0.1649 0.1053 0.6244 0.9970 0.2500 0.2500 0.2500 0.9599 0.9920
ho
2.76 1.9 1.97 1.42 3.0 2.13 3.16 3.16 3.32 2.6 2.05 3.47 33.1 33.1
occ
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.69 1.0 1.0
Calcined,
REFINED
COMPOSITION: CRYSTAL
DATA:
EUO
EU-1
(Sirr202a4).0ss.r6
Cmme
(No. 67)
a = 13.695 A a = 90” X-ray Rietveld REFERENCE:
rehydrated,
b = 22.326 A c = 20.178 A p = 90” y = 90” limited refinement. No R-factor
N. A. Briscoe, D. W. Johnson, M. D. Shannon, and L. B. McCusker, Zeolites 8, 74-76 (1988).
Atom Sil Si2 Si3 Si4 Si5 Si6 Si7 Si8 Si9 Silo 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 017 018 019 020 021 051 052 053
X
0.115 0.187 0.289 0.0000 0.0000 0.117 0.191 0.287 0.0000 0.0000 0.0000 0.158 0.139 Oz2500 0.245 0.094 0.2500 0.405 0.260 0.0000 0.0000 0.0000 0.0000 0.164 0.094 0.244 0.2500 0.2500 0.404 0.0000 0.0000 0.2500 0.4000 0.5000
Y
z
&so
0.2500 0.3703 0.4315 0.448 0.528 0.2500 0.3739 0.4302 0.450 0.534 0.2500 0.3068 0.2500 0.363 0.405 0.407 0.5000 0.431 0.389 0.5000 0.477 0.497 0.2500 0.3065 0.409 0.391 0.5000 0.403 0.425 0.485 0.5000 0.2000 0.2500 0.1250
0.123 0.0630 0.185 0.053 0.181 0.277 0.308 0.431 0.308 0.432 0.113 0.089 0.199 0.0000 0.118 0.044 0.196 0.176 0.246 0.0000 0.126 0.251 0.289 0.309 0.303 0.374 0.424 0.5000 0.427 0.376 0.5000 0.5000 0.3820 0.067
1.184 1.184 1.184 1.184 1.184 1.184 1.184 1.184 1.184 1.184 2.369 2.369 2.369 2.369 2.369 2.369 2.369 2.369 2.369 2.369 2.369 2.369 2.369 2.369 2.369 2.369 2.369 2.369 2.369 2.369 2.369 3.948 3.948 3.948
reported. G. T. Kokotailo
occ
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.01 1.27 0.53
continued. . .
Zeolites
16:323-802,
1996
703
EUO
Calcined, . . . continued
from previous
Atom 054 055 056
Extra-framework
704
Zeolites
16:323-602,
1996
rehydrated,
EU-1
page
x 0.5000 0.5000 0.0000
Y 0.1860 0.2020 0.1830
atoms 051-056
z 0.2980 0.1760 0.4500
&so 3.948 3.948 3.948
occ 0.68 0.63 0.4
were refined with oxygen scattering
factors.
FAU
Faujasite
REFINED
COMPOSITION:
CRYSTAL
Na5.lsCa2.5(Si134.4A157.s0384).26.88H20 Kaiserstuhl, Germany.
DATA:
Fdzm (No. 227) origin at centre (Zm) a = 24.74 A b = 24.74 H, c = 24.74 H, Q = 90” p = 90” y = 90” X-ray single crystal refinement, R = 0.13
REFERENCE:
W. H. Baur, Am. Miner. 49, 697-704
Atom
X
Na Ca Si Al 01 02 03 04 Hz01 Hz02
0.0699 0.0699 0.12544 0.12544 0.1742 0.1773 0.2527 0.1053 0.1673 0.272
Y 0.0699 0.0699 0.94655 0.94655 0.1742 0.1773 0.2527 0.8947 0.1673 0.272
(1964).
z
&so
occ
0.0699 0.0699 0.03626 0.03626 0.9680 0.3232 0.1435 0.0 0.1673 0.272
2.6 2.6 1.2 1.2 2.8 2.5 2.5 2.8 3.2 3.9
0.162 0.078 0.7 0.3 1.0 1.0 1.0 1.0 0.42 0.42
Zeolites
16:323-802,
1996
705
Dehydrated
REFINED
COMPOSITION: CRYSTAL
Nag2.g(Si~~~.6sA188.3~0384)
DATA:
REFERENCE:
F& (No. 203) origin at centre a = 25.099 A b = 25.099 A (Y = 90” p = 90” X-ray single crystal refinement, D. H. Olson, Zeolites 15, 439-443
Atom Nal Na2 Na3 Na4 Na5 Na6 Na61 Sil Si2 Al 01 02 03 04
706
Zeolites
16:323-802,
Na-X
1996
0.0454 0.056 0.2292 0.423 0.432 0.465 -0.05381 -0.05524 -0.05524 -0.1099 -0.0011 -0.0346 -0.0693
(1995).
Y
.z
Biso
OCC
0.0454 0.056 0.2292 0.326 0.280 0.317 0.12565 0.03639 0.03639 0.0003 -0.0028 0.0758 0.0726
0.0 0.0454 0.056 0.2292 0.158 0.164 0.158 0.03508 0.12418 0.12418 0.1056 0.1416 0.0711 0.1800
3.18 0.87 1.26 2.53 2.32 1.68 1.68 1.41 1.46 1.46 2.47 2.45 2.61 2.37
0.18 0.66 0.25 0.97 0.11 0.11 0.09 1.0 0.08 0.92 1.0 1.0 1.0 1.0
X 0.0
(5) c = 25.099 A y = 90” R = 0.046
0.0
Hydrated
REFINED
COMPOSITION: CRYSTAL
Na40.32 (Si103.ssAlss.320384).
DATA:
REFERENCE:
F&
(No. 203) origin
a =
25.028
171.84H20
at centre (3) A c = 25.028 A 0 = 90” y = 90” p = 90” X-ray single crystal refinement, R = 0.09 A
D. H. Olson, J. Phys. Chem.
Atom Nal Na2 Na3 Na4 Sil Si2 Al 01 02 03 04 Hz01 Hz02 Hz03 H&4 Hz05 Hz06 Hz07 Hz08 H209 Hz010
FAU
Na-X
b =
74, 2758-2764
X 0.0
0.060 0.230 0.238 -0.05291 -0.05352 -0.05352 -0.1099 -0.0025 -0.0321 -0.0706 0.074 0.093 0.245 0.281 0.353 0.239 0.174 0.212 0.312 0.258
25.028
z
Biso
0.060 0.230 0.238 0.03509 0.12309 0.12309 0.1054 0.1445 0.0680 0.1761 0.074 0.176 0.245 0.275 0.186 0.392 0.422 0.288 0.200 0.204
2.53 0.5 0.5 0.5 1.16 1.04 1.04 2.2 1.76 2.18 2.11 0.61 1.66 0.87 0.95 3.58 3.58 1.55 2.82 1.92 2.42
Y 0.0
0.060 0.230 0.238 0.12457 0.03671 0.03671 0.0002 -0.0041 0.0730 0.0772 0.074 0.086 0.245 0.298 0.345 0.240 0.204 0.387 0.381 0.412
(1970).
0.0
OCC
0.54 0.24 0.39 0.36 1.0 0.08 0.92 1.0 1.0 1.0 1.0 0.36 0.27 0.24 0.13 0.31 0.29 0.18 0.17 0.10 0.14
Zeolites
16:323-802,
1996
707
Dehydrated
REFINED
COMPOSITION: CRYSTAL
(Silos.75Als5,2503s4).A11.4089.6
DATA:
F&m (No. 227) origin at centre (%z) a = 24.171 A b = 24.171 A c = 24.171 A a = 90” p = 90” y = 90” Neutron Rietveld refinement, R,, = 0.1048, RI = 0.0529
REFERENCE:
J. B. Parke, Acta Cyst.
Atom Si All Al2 01 02 03 04 05
708
Zeolites
16:323-802.
US-Y
1996
z 0.1260 0.1260 0.1250 0.1076 0.2536 0.1752 0.1799 0.085
D. R. Corbin, L. Abrams C40, 1493-1497 (1984).
Y 0.9460 0.9460 0.1250 -0.1076 0.2536 0.1752 0.1799 0.085
and D. E. Cox,
z
ho
occ
0.0362 0.0362 0.1250 0.0000 0.1406 0.9633 0.3215 0.085
3.1 3.1 3.0 4.5 4.5 4.5 4.5 3.0
0.556 0.444 0.175 1.0 1.0 1.0 1.0 2.8
Siliceous
REFINED
COMPOSITION: CRYSTAL
FAU
Na-Y
Si188.160384
DATA:
REFERENCE:
FdZm (NO. 227) origin at centre (3m) a = 24.2576 -.k b = 24.2576 A c = 24.2576 A cx = 90” Neutron Rietvelc!r~~~ent, kxz 1:;2, R,, = 0.031 J. J. Hriljac, M. M. Eddy, A. K. Cheetham, J. Solid State Chem. 106, 66-72 (1993).
Atom Si 01 02 03 04
x -0.05392 0.0 -0.00323 0.07570 0.07063
Y 0.12530 -0.10623 -0.00323 0.07570 0.07063
z 0.03589 0.10623 0.14066 -0.03577 0.32115
Biso 0.37 1.16 1.42 1.33 0.74
J. A. Donohue
and G. J. Ray,
OCC
0.98 1.0 1.0 1.0 1.0
Zeolites
16:323-602,
1996
709
FER
Siliceous
REFINED
coR/IPosITIoN:
CRYSTAL
s&6072 Dealuminated,
DATA:
710
Zeolites
16:323-802,
1996
synthetic
material
Pnnm (No. 58) a = 14.07025 A b = 7.41971 A c = 18.720 A a! = 90” p = 90” y = 90” Combined X-ray and neutron Rietveld refinement.
REFERENCE:
Coordinates
ferrierite
R. E. Morris, S. J. Weigel, N. J. Henson, in press (1994).
Atom
s
Sil Si2 Si3 Si4 Si5 01 02 03 04 05 06 07 08 09 010
0.0 -0.0012 0.19990 0.2029 0.7950 0.0 0.0099 0.0899 0.7804 0.2090 0.2494 0.2403 0.7393 0.0879 0.9040
converted
Y 0.0 0.2905 0.0037 0.2255 0.1894 0.5 0.1788 0.0016 -0.0202 0.0377 0.2851 0.1829 0.1675 0.2462 0.2477
from Pmnn
&so
OCC
0.15462 0.27439 0.08373 0.33150 0.68200 0.2479 0.2027 0.1039 0.6560 0.0 0.2580 0.1248 0.8994 0.3291 0.6846
0.95 1.03 1.26 1.26 0.47 1.97 3.00 2.29 1.89 0.87 2.45 1.66 2.92 2.21 2.21
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
setting.
= 0.123
L. M. Bull and A. K. Cheetham.
2
(cab)
R,,
FER
Ferrierite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
(Nae~eMg~)(Sisc.~~Al~.~sO~~)~12H~O Kamloops Lake, British Columbia, Immm (No. 71) a = 19.156 A b = 14.127 A Q = 90” p = 90” X-ray single crystal refinement, P. A. Vaughan, Acta Cryst. 21, 983-990
Atom Na Mg Sil Si2 Si3 Si4 All Al2 Al3 Al4 01 02 03 04 05 06 07 08 Hz01 Hz02 Hz03
X
0.4285 0.0 0.1548 0.0841 0.2727 0.3232 0.1548 0.0841 0.2727 0.3232 0.0 0.2528 0.1025 0.2039 0.2500 0.1610 0.1155 0.3202 0.0 0.0912 0.0347
Canada.
c = 7.489 A y = 90” R = 0.11
(1966).
Y
z
Biso
OCC
0.0 0.0 0.0 0.2024 0.0 0.2019 0.0 0.2024 0.0 0.2019 0.2131 0.0 0.0882 0.0 0.2500 0.2833 0.2497 0.0907 0.0 0.0691 0.1403
0.0 0.500 0.0 0.0 0.2905 0.2067 0.0 0.0 0.2905 0.2067 0.0 0.5000 0.0 0.1776 0.2500 0.5000 0.1796 0.2459 0.2389 0.5000 0.5000
3.0 3.29 1.74 1.55 2.0 2.08 1.74 1.55 2.0 2.08 3.84 3.76 5.63 5.21 4.5 3.82 4.42 3.79 3.66 7.53 9.21
0.24 1.0 0.84 0.84 0.84 0.84 0.16 0.16 0.16 0.16 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.5 0.5
Zeolites
16:323-802,
1996
711
GIS
Gismondine
REFINED
COMPOSITION:
CRYSTAL
Ca3.6s(Sis.sA17.20s2).17.28H20 Hohenberg, Buhne, Westfalia.
DATA:
REFERENCE:
712
Zeolites
16:323-802,
1996
Pll 21/a (No. 14) unique axis c, cell choice 1 a = 9.843 A b = 10.023 A c = 10.616 A o! = 90” B = 90” y = 92.417” X-ray single crystal refinement, R, = 0.04 K. F. Fischer and V. Schramm, In “Molecular Sieve Zeolites - I (ACS Adv. Chem. Ser. No. lol)“, Flanigen, E. M., Sand, L. B.. Eds. American Chemical Society: Washington. DC; pp. 250-258 (1971).
Atom
X
Ca Sil Si2 Si3 All Al2 01 02 03 04 05 06 07 08 H201 Hz02 Hz03 Hz04 Hz05 Hz06
0.3537 0.18142 0.16038 0.16921 0.16921 0.149 0.9996 0.2125 0.0254 0.3037 0.2136 0.2595 0.2777 0.2253 0.5023 0.5410 0.5020 0.2306 0.4028 0.1326
Y 0.7192 0.4147 0.9082 0.09656 0.09656 0.59053 0.0787 0.2624 0.4361 0.245 0.9994 0.0449 0.4645 0.5107 0.2596 0.5914 0.9113 0.7732 0.7407 0.7620
z 0.0764 0.11288 0.87012 0.11329 0.11329 0.8669 0.1562 0.0763 0.1485 0.4027 0.9861 0.2437 0.2288 0.9944 0.1048 0.1262 0.1174 0.2369 0.3180 0.1794
&so
1.39 0.55 0.48 0.32 0.32 0.52 1.74 1.85 0.99 1.48 0.85 0.82 0.91 1.21 2.22 3.62 2.13 7.72 4.11 17.25
occ
0.92 1.0 1.0 0.2 0.8 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.88 1.0 0.95 0.61 0.48 0.4
GIS
Amicite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
(Na3.sKs.7s)(SisAIsCa2).9.86H20 Hoewenneg, Hegau, Germany. 1121 (No. 5) unique axis b, cell a = 10.226 A b = 10.422 A a = 90” p = 88.315” X-ray single crystal refinement, A. Alberti and G. Vezzalini, Acta Cryst. B35, 2866-2869
Atom
2
Na K Sil Si2 All Al2 01 02 03 04 05 06 07 08 Hz01 Hz02 Hz03 Hz04
0.4312 0.3071 0.1523 0.1534 0.1546 0.1582 0.0010 -0.0030 0.2031 0.1810 0.1712 0.1989 0.2620 0.7558 0.3435 0.4779 0.0 0.5
Y 0.2559 -0.0040 -0.0133 0.2615 0.2491 0.0027 -0.0471 0.2956 0.1401 0.0304 0.2264 0.1018 0.3610 0.3812 0.2507 0.0682 0.3191 0.4729
choice 3 c = 9.884 A y = 90” R, = 0.033
(1979).
z
Biso
0.6716 0.9692 0.3261 0.8263 0.1546 0.6512 0.3037 0.2047 0.7354 0.4785 0.9833 0.2263 0.2184 0.2177 0.4539 0.2179 0.5 0.5
2.53 2.09 0.46 0.40 0.43 0.44 1.21 1.14 0.96 1.18 1.13 1.00 1.09 0.73 2.65 2.76 2.70 2.35
OCC
0.9 0.94 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.85 0.85 1.0 0.53
Zeolites
16:323-802,
1996
713
GIS
Garronite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
(N~.~Ca~.~~)(Si~~.~A1~.~0~~)~12.08H~O Goble, Oregon, U.S.A.
Iqm2 (No. 119) a = 9.9266 8, b = 9.9266 A a = 90” X-ray Rietveld
p = 90” refinement,
G. Artioli, Am. Mineral.
77, 189-196
Atom Na Cal Ca2 Sil Si2 All Al2 011 012 02 Hz01 Hz021 Hz022 Hz03
714
Zeolites
l&323-802,
1996
c = 10.3031 A -y = 9o” Rexp = 0.047, R,, = 0.127, RF2 = 0.111
(1992).
.!:
Y
z
0.1607 0.3421 0.1607 0.3421 0.1746 0.3078 0.2922 0.0 0.105 0.161 0.0
0.281 0.352 0.238 0.1607 0.1579 0.1607 0.1579 0.0 0.0 0.2488 0.0 0.395 0.433 0.173
0.223 0.094 0.107 0.5 0.25 0.5 0.25 0.5351 0.2192 0.1244 0.159 0.25 0.234 0.981
0.0 0.0 0.0
&so
occ
6.32 8.69 8.69 3.08 4.03 3.08 4.03 2.68 2.53 6.71 9.24 2.05 2.05 16.58
0.10 0.197 0.155 0.65 0.65 0.35 0.35 1.0 1.0 1.0 1.0 0.14 0.24 0.39
GIS
Gobbinsite
REFINED
COMPOSITION:
CRYSTAL
DATA:
(Naz.eKi.7) (SiieA160s2). 14.9H20 Antrim District, Northern Ireland.
Pmn21
(No. 31)
a = 10.108 A Q = 90” X-ray Rietveld REFERENCE:
b = 9.766 A p = 90” refinement, R,,
c = 10.171 A y = 90” = 0.136, RF = 0.126
L. B. McCusker and Ch. Baerlocher, Z. Kristallogr. 171, 281-289 (1985).
Atom
X
9
Z
&so
occ
Na K Sil Si2 Si3 Si4 All Al2 Al3 Al4 01 02 03 04 05 06 07 08 09 010 Ha01 H202 Ha03 Hz04 Hz05
0.247 0.500 0.156 0.154 0.345 0.348 0.156 0.154 0.345 0.348 0.186 0.000 0.200 0.254 0.000 0.198 0.254 0.312 0.500 0.500 0.500 0.000 0.000 0.341 0.500
0.228 -0.071 0.432 0.110 0.073 0.389 0.432 0.110 0.073 0.389 0.275 0.441 0.538 0.459 0.074 0.048 0.046 0.226 0.073 0.414 0.243 0.395 0.314 0.271 0.338
0.284 0.615 -0.191 -0.242 0.000 0.048 -0.191 -0.242 0.000 0.048 -0.241 -0.162 -0.309 -0.061 -0.197 -0.394 -0.138 0.059 -0.026 0.009 0.321 0.146 0.306 0.559 0.600
9.16 9.16 2.05 2.05 2.05 2.05 2.05 2.05 2.05 2.05 1.82 1.82 1.82 1.82 1.82 1.82 1.82 1.82 1.82 1.82 9.16 9.16 9.16 9.16 9.16
0.65 0.85 0.625 0.625 0.625 0.625 0.375 0.375 0.375 0.375 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.1 1.45 0.9 1.275 1.45
Zeolites
16:323-802,
1996
715
GIS
Di-n-propylamine
REFINED
COMPOSITION: CRYSTAL
MAPO-43
(AlsPs0s2).2CfiHrGN
DATA:
REFERENCE:
Ill 2/b (No. 15) unique axis c, cell choice 3 a = 10.2192 A b = 10.2198 A c = 10.0126 A a = 90” p = 90” y = 90.987” X-ray single crystal refinement, R, = 0.049 J. J. Pluth, J. V. Smith and J. M. Bennett, J. Am. Chem. Sot. 111, 1692-1698 (1989).
Atom Al2 Pl 01 02 03 04 Nl Hl H2 Cl H3 H4 H5 c2 H6 H7 c3 H8 H9 c4 HlO Hll c5 H12 H13 C6 H14 H15 H16 N2 H17 H18 c7 H19
x 0.14938 0.34269 0.1756 0.4833 0.2514 0.3101 0.001 -0.077 0.075 0.009 0.007 -0.065 0.087 0.04 0.078 -0.074 0.006 0.084 -0.068 0.004 -0.070 0.082 -0.001 0.073 -0.079 0.001 -0.002 0.079 -0.073 0.232 0.246 0.247 -0.141 -0.200
Y 0.10057 0.09267 0.2667 0.0742 0.0604 0.0016 -0.018 -0.007 -0.001 -0.391 -0.451 -0.408 -0.402 -0.250 -0.233 -0.239 -0.154 -0.165 -0.170 0.075 0.058 0.063 0.216 0.233 0.227 0.312 0.400 0.301 0.295 0.754 0.679 0.831 0.765 0.771
2 0.12505 0.37490 0.0794 0.3297 0.2608 0.4896 0.434 0.384 0.378 0.418 0.345 0.474 0.469 0.366 0.310 0.366 0.484 0.534 0.540 0.547 0.603 0.597 0.495 0.439 0.445 0.613 0.581 0.663 0.669 0.319 0.373 0.370 0.332 0.405 continued.
716
Zeolites
16:323-802,
1996
Biso 1.76 1.72 3.36 3.37 4.07 4.07 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.03 1.03 1.03 3.24 3.24 3.24 11.05 11.05 11.05 3.24 3.24 3.24 10.26 10.26 10.26 10.26 11.05 11.05 11.05 11.05 11.05 ..
occ 1.0 1.0 1.0 1.0 1.0 1.0 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125
Di-n-propylamine . . . continued
from previous
Atom H20 H21 C8 H22 H23 c9 H24 H25 Cl0 H26 H27 Cl1 H28 H29 Cl2 H30 H31 H32
GIS
MAPO-43
page 2
-0.160 -0.150 0.000 0.009 0.019 0.097 0.085 0.081 0.325 0.307 0.315 0.466 0.482 0.478 0.563 0.650 0.551 0.547
Y 0.689
0.840 0.760 0.685 0.837 0.752 0.824 0.672 0.754 0.679 0.831 0.748 0.819 0.668 0.756 0.753 0.836 0.685
z
&so
occ
0.282 0.277 0.386 0.441 0.436 0.268 0.210 0.220 0.205 0.150 0.154 0.258 0.317 0.304 0.140 0.173 0.094 0.081
11.05 11.05 12.63 12.63 12.63 3.08 3.08 3.08 11.05 11.05 11.05 3.08 3.08 3.08 12.63 12.63 12.63 12.63
0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125
The x-coordinate for C2 has been changed from 0.004 to 0.04. Otherwise, C2 is too close to (0 -l/4 z).
Zeolites
16:323-602,
1996
717
GIS
Na-Pl
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
718
Zeolites
16:323-802,
1996
Na5.92(Sig,92Al~.o80sz).ll.28H20
Ia (No. 82) a = 10.043 A Q = 90” X-ray twinned
c = 10.043 A y = 90” p = 90” crystal refinement, R = 0.05
Ch. Baerlocher Z. Kristallogr.
and W. M. Meier, 135, 339-354 (1972).
Atom
X
Nal Na2 Sil Si2 All Al2 01 02 03 04 Hz01 Hz02 Hz03
0.0140 0.3590 0.1438 0.1683 0.1438 0.1683 0.1890 0.1885 0.0090 0.2830 0.0 0.2195 0.2930
b = 10.043 A
Y 0.1895 0.0825 0.1692 0.3579 0.1692 0.3579 0.0215 0.2895 0.3460 0.2845 0.0 0.0240 0.0020
0
Biso
0.4940 4.4 0.2210 -0.0181 0.2329 -0.0181 0.2329 0.0410 0.0880 0.2985 0.3300 0.3250 0.3515 0.3520
4.0 1.1 0.9 1.1 0.9 0.5 1.3 2.5 2.8 5.9 2.6 4.0
OCC
0.32 0.42 0.62 0.62 0.38 0.38 1.0 1.0 1.0 1.0 0.42 0.70 0.50
GME
Gmelinite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
Ca4(SiisAls04s).26.4H20 Nova Scotia, Canada. PGs/mmc (No. 194) a = 13.75 A b = 13.75 A o! = 90” p = 90” X-ray single crystal refinement,
c = 10.05 A y = 120” R = 0.17
K. Fischer, Neues Jahrbuch
Monatshefte
Atom
X
Ca Si Al 01 02 03 04 Hz01 Hz02 Hz03 H204 Hz05 Hz06
0.3333 0.441 0.441 -0.202 0.575 0.411 0.354 0.20 0.22 0.43 0.17 0.08 0.10
fur Mineralogie
Y
0.6667 0.106 0.106 -0.404 0.150 0.067 0.0 0.54 0.44 0.86 0.34 0.16 0.20
2
0.073 0.093 0.093 0.063 0.064 0.250 0.0 0.2500 0.99 0.97 0.2500 0.89 0.06
&so 6.0 0.9 0.9 2.0 2.3 2.3 2.3 3.5 9.0 9.0 5.0 4.0 6.5
1, 1-13 (1966).
occ 1.0 0.6667 0.3333 1.0 1.0 1.0 1.0 0.25 0.5 0.5 0.5 0.5 0.2
Zeolites
16:323-802,
1996
719
Goosecreekite
REFINED
COMPOSITION:
CRYSTAL
DATA:
Ca2(Si12A14032).10HzO Loudon County, Virginia,
U.S.A.
P1211 (No. 4) unique axis b b = 17.439 A p = 105.44” cl! = 90” X-ray single crystal refinement,
a = 7.401 A
REFERENCE:
720
Zeolites
16:323-802.1996
c = 7.293 A y = 90”
R, = 0.049
R. C. Rouse and D. R. Peacor, Am. Mineral. 71, 1494-1501 (1986).
Atom
X
Ca Sil Si2 Si3 Si4 Si5 Si6 All Al2 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 Hz01 H202 Hz03 Hz04 Hz05
0.6557 0.3374 0.3168 0.0219 0.1044 0.0892 0.2394 0.7482 0.0682 0.7228 0.5336 0.8372 0.9065 0.2607 0.2666 0.5594 0.2017 0.2657 0.2515 0.0811 0.9698 0.9052 0.1728 0.1202 0.9022 0.3512 0.6565 0.5102 0.7574 0.5650
Y 0.2721 0.4732 0.1294 0.2599 0.0578 0.3877 0.0045 0.1285 0.3982 0.0612 0.1478 0.2097 0.1001 0.4392 0.4226 0.4662 0.2065 0.1069 0.0596 0.3051 0.3179 0.4718 0.0585 0.3741 0.4346 0.2234 0.2989 0.3063 0.1530 0.4074
.z 0.1969 0.6282 0.5997 0.5249 0.8612 0.8325 0.2768 0.5887 0.2632 0.4105 0.6346 0.5064 0.7936 0.8023 0.4408 0.7062 0.5155 0.7949 0.4581 0.7261 0.3431 0.2174 0.0904 0.0505 0.7315 0.0964 0.8717 0.4504 0.1048 0.1595
Biso
OCC
1.78 1.18 1.12 1.03 1.08 1.07 1.06 1.0 1.02 2.0 1.87 1.33 1.78 1.77 1.51 2.12 1.6 1.65 1.86 1.68 1.58 2.09 1.98 1.91 2.06 4.83 4.81 3.5 3.92 3.73
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
HEU
Heulandite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
Ks.~s(Si26.6~AI~.~s072).18H2O Mossyrock Dam, Washington,
U.S.A.
Cl 2/m 1 (No. 12) unique axis b, cell choice 1 a = 17.767 A b = 17.958 A c = 7.431 A a = 90” p = 115.93” y = 90” X-ray single crystal refinement, R, = 0.07 E. Galli, G. Gottardi, H. Mayer, A. Preisinger Acta Cryst. B39, 189-197 (1983).
Atom
x
Kl K2 K3 K4 K5 Sil Si2 Si3 Si4 Si5 All Al2 Al3 Al4 Al5 01 02 03 04 05 06 07 08 09 010 H201 H202 Hz03 H&4 Hz05
0.079 0.071 0.241 0.210 0.032 0.1794 0.2146 0.2083 0.0668 0.0 0.1794 0.2146 0.2083 0.0668 0.0 0.1981 0.2330 0.1882 0.2304 0.0 0.0805 0.1226 0.0142 0.2153 0.1208 0.408 0.008 0.365 0.419 0.0
Y
0.0 0.0 0.500 0.500 0.500 0.1686 0.4108 0.1912 0.2983 0.2173 0.1686 0.4108 0.1912 0.2983 0.2173 0.5000 0.1213 0.1535 0.1008 0.3257 0.1614 0.2296 0.2709 0.2492 0.3708 0.092 0.099 0.500 0.500 0.500
Z
B&o
OCC
0.281 0.110 0.061 -0.033 0.190 0.0978 0.5063 0.7161 0.4176 0.0 0.0978 0.5063 0.7161 0.4176 0.0 0.4565 0.6144 0:8902 0.2473 0.5000 0.0499 0.5515 0.1891 0.1928 0.4225 0.049 0.414 0.334 0.207 0.500
19.1 10.6 3.4 4.6 9.6 1.0 1.1 1.0 1.1 1.3 1.0 1.1 1.0 1.1 1.3 2.3 2.7 3.0 2.5 3.2 2.6 3.2 3.4 2.4 2.8 9.7 8.0 6.7 10.3 10.9
0.34 0.36 0.74 0.19 0.49 0.74 0.74 0.74 0.74 0.74 0.26 0.26 0.26 0.26 0.26 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.5 0.45 0.55 1.0
and E. Passaglia,
Zeolites
16:323-802,
1996
721
HEU
Clinoptilolite
REFINED
COMPOSITION:
CRYSTAL
(Na 1.84K1.7sMgo.zCal.24)(Si2g.84A16.16072).21.36H20 Agoura, California, U.S.A.
DATA:
Cl 2/m 1 (No. 12) unique axis b, cell choice 1 c = 7.407 A a = 17.662 A b = 17.911 A ,3 = 116.40” y = 90” a = 90” X-ray single crystal refinement, R, = 0.088
REFERENCE:
K. Koyama and Y. Takeuchi, Z. Kristallogr. 145, 216-239 (1977).
Atom
X
Nal Na2 K
0.1428 0.0393 0.2413 0.0 0.1428 0.0393 0.17906 0.21334 0.20846 0.06623 0.0 0.17906 0.21334 0.20846 0.06623 0.0 0.1959 0.2336 0.1850 0.2333 0.0 0.0808 0.1268 0.0122 0.2123 0.1188 0.211 0.084 0.0777 0.0 0.0 0.073 0.096
Mg Cal Ca2 Sil Si2 Si3 Si4 Si5 All Al2 Al3 Al4 Al5 01 02 03 04 05 06 07 08 09 010 Hz01 Hz02 Hz03 H&4 Hz05 Hz06 H707
722
Zeolites
16:323-602,
1996
Y
z
0.5 0.5 0.0 0.0 0.5 0.16943 0.41099 0.19034 0.29837 0.21651 0.16943 0.41099 0.19034 0.29837 0.21651 0.5 0.1204 0.1551 0.1041 0.3232 0.1627 0.2317 0.2702 0.2520 0.3718 0.500 0.0 0.4206 0.5 0.095 0.0 0.0
0.667 0.210 0.049 0.5 0.667 0.210 0.0963 0.5040 0.7153 0.4148 0.0 0.0963 0.5040 0.7153 0.4148 0.0 0.4574 0.6144 0.8559 0.2509 0.5 0.0555 0.5492 0.1856 0.1860 0.4148 -0.033 0.888 0.964 0.5 0.5 0.249 0.756
0.0
&so 5.49 3.13 5.1 1.1 5.49 3.13 1.07 1.1 1.01 1.09 1.11 1.07 1.1 1.01 1.09 1.11 2.39 2.47 2.64 2.37 2.64 1.96 3.05 2.48 2.31 2.42 6.2 14.6 9.5 7.4 22.1 19.1 10.2
occ 0.36 0.10 0.44 0.10 0.06 0.25 0.83 0.69 0.87 0.89 0.9 0.17 0.31 0.13 0.11 0.1 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.38 0.44 1.0 1.0 0.76 0.84 0.42
Nepheline
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
hydrate
Na3(&A13012).H20 Pmc21 (No. 26) a = 7.503 A b = 8.233 A Q = 90” p = 90” X-ray single crystal refinement,
c = 5.230 ii y = 90” R = 0.039
A. Rheinhardt, E. Hellner and H. Ahsbahs, Fortsch. der Mineralogie 60, 175-176 (1982).
Atom
X
Y
z
Nal Na2 Sil Si2 All Al2 01 02 03 04 Hz01 Hz02
0.5000 0.0000 0.5000 0.2173 0.5000 0.2173 0.0000 0.5000 0.2849 0.3204 0.0000 0.0000
0.1774 0.419 0.3942 0.1060 0.3942 0.1060 0.1420 0.5628 0.0326 0.1833 0.330 0.470
0.466 0.106 -0.015 0.000 -0.015 0.000 0.014 0.170 0.718 0.061 0.514 0.538
Biso 1.9 4.9 0.9 0.9 0.9 0.9 1.8 1.8 2.0 1.8 2.9 3.9
OCC
1.0 0.5 0.5 0.5 0.5 0.5 1.0 1.0 1.0 1.0 0.25 0.25
Zeolites
16:323-802,
1996
723
KFI
Dehydrated
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
I&m (No. 229) a = 18.671 A b = 18.671 A a = 90” p = 90” X-ray Rietveld refinement, El,,
16:323-802.
1996
c = 18.671 A y = 90”
= 0.09
J. B. Parke, R. D. Shannon, E. Prince Z. Kristallogr. 165, 175-190 (1983).
Kl K2 cs Si Al 01 02 03 04
Zeolites
ZK5
(K 12 88C sg.72)(Si72.96A123.o40192)
Atom
724
(Cs,K)
X 0.0
0.150 0.0 0.0825 0.0825 0.1280 0.2522 0.0 0.2500
Y 0.2500 0.150 0.0 0.2023 0.2023 0.1280 0.2522 0.1783 0.1085
z 0.5000 0.150 0.314 0.3211 0.3211 0.3145 0.4081 0.3369 0.3915
and D. E. Cox,
Biso OCC 3.9 0.78 3.9 4.7 1.1 1.1 2.0 1.3 1.7 1.7
0.22 0.81 0.76 0.24 1.0 1.0 1.0 1.0
LAU
Laumontite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
Caq(SireAls04s).18HzO Nasik, India. Cl 2/m 1 (No. 12) unique axis b, cell choice 1 a = 14.8538 A b = 13.1695 A c = 7.5421 A Q = 90” ;o = 110.323” y = 90” X-ray Rietveld refinement, Rwp = 0.115, R, = 0.090, RF2 = 0.046 G. Artioli and K. Stahl, Zeolites 13, 249-255 (1993).
Atom
X
Y
z
Biso
OCC
Ca Sil Si2 Al 01 02 03 04 05 06 07 Hz01 H202 H&5 Hz08
0.2601 0.2368 0.0763 0.1315 0.260 0.2084 0.1384 0.146 0.3205 0.043 0.013 0.029 0.401 0.5 0.1426
0.5 0.3838 0.3834 0.3080 0.5 0.3744 0.3838 0.3454 0.3185 0.5 0.3083 0.171 0.5 0.467 0.129
0.737 0.156 0.325 0.737 0.219 0.919 0.552 0.203 0.248 0.267 0.743 0.0 0.026 0.5 0.332
3.4 1.89 2.13 2.61 0.79 1.66 0.55 2.92 0.79 0.71 2.53 2.45 5.92 3.16 4.03
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.5 1.0 0.5 1.0
Zeolites
16:323-802,
1996
725
LAU
Leon hardite
REFINED
COMPOSITION:
CRYSTAL
Ca4(Si16.4A17.s04s).H25.1s4013.36 Teigahorn, Berufjordur, Iceland.
DATA:
REFERENCE:
G. Artioli, .J. V. Smith and A. Kvick, Zeolites 9, 377-391 (1989).
Atom Sil Si2 Si3 Al 01 02 03 04 05 06 07 Ca 011 012 013 014 015 016 017 018 Hl H2 H3 H4 H5 H6 H7 H8 H9 HlO Hll H12 H13 H14 H15 H16 H17
726
Zeolites
16:323-802,
1996
Cl 2/m 1 (No. 12) unique axis b, cell choice 1 a = 14.690 A b = 13.061 A c = 7.574 A a = 90” j3 = 112.01” y = 90” Neutron single crystal refinement, RF2 = 0.084, T = 15K.
X
Y
0.23810 0.08281 0.12982 0.12982 0.25981 0.21108 0.14973 0.14659 0.33598 0.05002 0.01051 0.27540 0.41286 0.41489 0.5 0.38445 0.37628 0.39527 0.40290 0.41917 0.47394 0.47076 0.45425 0.40834 0.41832 0.44714 0.37143 0.36681 0.42706 0.42967 0.41716 0.44065 0.38262 0.37938 0.40073 0.47481 0.41649
0.38177 0.38285 0.30997 0.30997 0.5 0.37669 0.38130 0.33896 0.31686 0.5 0.31005 0.5 0.5 0.45514 0.43199 0.42560 0.38162 0.37909 0.38065 0.37517 0.43341 0.5 0.47073 0.38935 0.42092 0.38924 0.37046 0.39410 0.47454 0.39404 0.33596 0.37303 0.30594 0.29567 0.33226 0.39229 0.31170
z 0.15515 0.32651 0.73198 0.73198 0.22658 0.92717 0.55330 0.20664 0.26834 0.26109 0.71791 0.75776 0.03570 0.05147 0.5 0.62407 0.65890 0.77087 0.84035 0.98301 0.03731 0.05896 0.11239 0.12684 0.16151 0.41741 0.52675 0.53068 0.59007 0.66218 0.73197 0.73626 0.74108 0.81611 0.82437 0.89948 0.90170
&so 0.74 0.71 0.76 0.76 0.9 0.96 1.01 0.94 0.94 0.9 1.06 1.06 2.64 1.78 1.97 1.57 2.39 2.91 1.38 1.55 3.13 3.65 3.86 4.03 3.55 2.73 3.45 3.72 2.47 2.15 2.36 3.32 4.21 2.59 3.38 3.75 3.35
occ 1.0 1.0 0.05 0.95 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.130 0.311 0.450 0.327 0.200 0.286 0.143 0.113 0.224 0.080 0.123 0.132 0.224 0.433 0.456 0.089 0.314 0.140 0.145 0.155 0.126 0.215 0.090 0.101 0.141
Cobalt
REFINED
COMPOSITION: CRYSTAL
LAU
gallophosphate
(CosGa16P24096).8C+HsN
DATA:
REFERENCE:
Cl 2/c 1 (No. 14) unique axis b, cell choice 1 a = 15.058 A b = 13.197 A c = 15.273 8, a = 90” p = 112.20” y = 90”
A. M. Chippindale and R. I. Walton, J. Chem. Sot., Chem. Commun., 2453-2454
Atom Gal co1 Ga2 co2 Ga3 co3 Pl P2 P3 01 02 03 04 05 06 07 08 09 010 011 012 Cl Nl c2 c3 c4 c5 Hll Hlll H21 H31 H41 H51
X
0.56738 0.56738 0.73158 0.73158 0.63532 0.63532 0.5716 0.7317 0.6368 0.6270 0.7156 0.5295 0.7126 0.7572 0.8178 0.4905 0.6349 0.6598 0.6379 0.4594 0.6437 0.170 0.124 0.124 0.031 -0.012 0.035 0.2373 0.1579 0.1594 -0.0055 -0.0774 0.0042
Y 0.10568 0.10568 -0.12692 -0.12692 0.19004 0.19004 -0.1306 0.1144 0.1869 -0.1711 0.1423 -0.0264 0.1169 0.0068 0.1799 -0.2056 0.1218 0.2974 -0.1243 0.1869 0.1546 0.0043 -0.080 0.096 0.100 0.010 -0.081 0.0011 -0.1462 0.1600 0.1653 0.0124 -0.1460
(1994).
2
&so
occ
0.65382 0.65382 0.57730 0.57730 0.36767 0.36767 0.6573 0.5759 0.8647 0.6002 0.9528 0.6227 0.4706 0.6151 0.6299 0.6435 0.7831 0.8514 0.7616 0.6233 0.5907 0.139 0.144 0.130 0.123 0.135 0.144 0.1413 0.1486 0.1290 0.1099 0.1370 0.1501
2.07 2.07 2.04 2.04 2.1 2.1 2.17 2.1 2.2 3.61 2.53 3.46 3.28 2.48 3.25 2.68 3.3 3.2 3.44 3.38 3.41 5.7 9.07 7.49 7.94 10.94 8.69 6.47 9.19 8.35 7.82 11.99 9.69
0.6667 0.3333 0.6667 0.3333 0.6667 0.3333 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-802,
1996
727
LEV
l-aminoadamantane
REFINED
COMPOSITION: CRYSTAL
NU-3
(Si540rus).6CieN
Rzrn (No. 166) hexagonal setting
DATA:
a = 13.2251 A b = 13.2251 A a = 90” p = 90” X-ray Rietveld refinement, R,, REFERENCE:
Sil Si2 01 02 03 04 05 Cl c2 c3 c4 Nl
The y-value
Zeolites
16:323-802,
1996
= 0.104, RF = 0.060
L. B. McCusker, Mat. Sci. Forum Vol. 133-136, 423-434 (1993). and L. B. McCusker, private communication (1995).
Atom
728
c = 22.2916 A y = 120°
X
0.2327 0.33333 0.2641 0.0956 0.2492 0.4460 0.3121 0.0 0.0635 0.0651 0.1248 0.1254
Y 0.0006 -0.0943 0.0 -0.0956 0.1246 -0.1080 -0.0340 0.0 0.1270 0.1302 0.0624 0.2508
of 04 has been corrected
z 0.0694 0.16667 0.0 0.0795 0.0890 0.1544 0.1078 0.2190 0.2449 0.3130 0.3386 0.3320
@so 0.95 0.95 1.18 1.82 1.26 1.11 1.03 5.37 5.37 5.37 5.37 5.37
to 2x - 1. rather
occ 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.333
than 1 - 2x.
LEV
Levyne
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
(Na 2 Nurri,
16
K o.72Ca7.8)(Si35.1A118.g0108).46.08H20 Nuoro, Sardinia, Italy.
R3m (No. 166) hexagonal setting a = 13.338 A b = 13.338 Hi c = 23.014 A a: = 90” p = 90” y = 120” X-ray single crystal refinement, R = 0.07 S. Merlino, Tschermaks
Atom Nal Na2 Na3 Na4 Kl K2 Cal Ca2 Ca3 Ca4 Sil Si2 All Al2 01 02 03 04 05 Hz01 Hz02 Hz03 Hz04
X 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.0001 0.2396 0.0001 0.2396 0.0339 0.0920 0.1275 0.2643 0.2219 0.2567 0.1222 0.2547 0.5429
E. Galli and A. Alberti, Mineral. Petrogr. Mitt.
Y 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.2322 0.0 0.2322 0.0 0.3493 -0.0920 -0.1275 0.0 -0.2219 -0.2567 -0.1222 -0.2547 -0.5429
22, 117-129
z
Biso
0.2782 0.4095 0.4498 0.5 0.2782 0.4095 0.1389 0.2782 0.4095 0.4498 0.0697 0.5 0.0697 0.5 0.1079 0.0827 -0.0910 0.0 0.1793 -0.1241 0.2852 0.0187 -0.0445
3.4 9.4 0.7 0.7 3.4 9.4 3.48 3.4 9.4 0.7 1.39 1.32 1.39 1.32 2.72 2.98 3.45 3.83 2.98 4.8 8.0 6.5 5.7
(1975).
OCC
0.12 0.12 0.06 0.12 0.06 0.06 1.0 0.12 0.12 0.06 0.65 0.65 0.35 0.35 1.0 1.0 1.0 1.0 1.0 1.0 0.74 0.54 0.28
Zeolites
16:323-802,
1996
729
LIO
Liottite
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
Si36072 Pi?m2 (No. 187) a = 12.26077 A b = 12.26077 A c = 15.67058 A /j zz 90” a = 90” y = 120” DLS refinement. S. Merlin0 and P. Orlandi, Am. Mineral. 62, 321 (1977). And J. M. Newsam, private communication
Atom Sil Si2 Si3 Si4 01 02 03 04 05 06 07 08 09 010 011
730
Zeolites
16:323-802,
1996
SiO, framework
X
0.33385 0.25317 0.41565 0.25060 0.23106 0.31668 0.47260 0.31517 0.33438 0.11165 0.25156 0.54183 0.45209 0.10389 0.26518
Y 0.91626 1.00257 0.08080 1.00096 0.76894 0.98467 0.93365 0.97776 1.01261 0.88835 1.13178 0.07179 0.22604 0.89611 1.13855
z 0.16563 0.33337 0.50000 0.00000 0.16304 0.08363 0.16502 0.25081 0.41638 0.34500 0.32134 0.50000 0.50000 0.00000 0.00000
(1990).
LOS
Losod
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
Na12.5(Si12A112048).14.32H20 Synthetic material. 186) a = 12.906 A b = 12.906 A a: = 90” p = 90” X-ray Rietveld refinement, R,, P63mc
(NO.
c = 10.541 A y = 120” = 0.154, RF = 0.084, Rexp = 0.136
P. A. Schicker, Ph.D. Thesis No. 8494, ETH Zurich (1988).
Atom
n:
Nal Na2 Na3 Na4 Sil All Si2 Al2 01 02 03 04 05 06 Hz01 Hz02 Hz03 Hz04 Hz05
0.897 0.846 0.0 0.6667 0.250 0.250 0.414 0.414 0.220 0.358 0.4581 0.529 0.125 0.312 0.749 0.774 0.0 0.0 0.6667
Y 0.449 0.1539 0.0 0.3333 -0.002 -0.002 0.084 0.084 0.110 0.025 0.229 0.058 -0.125 0.007 0.251 0.387 0.0 0.0 0.3333
z
Biso
OCC
-0.018 -0.24 -0.45 -0.66 0.0 0.0 0.248 0.248 -0.006 0.102 0.257 0.267 0.035 0.354 -0.22 -0.442 -0.61 -0.24 0.06
11.2 5.5 0.0 1.5 1.5 1.5 1.9 1.9 4.4 2.1 5.8 4.1 14.3 3.5 12.9 13.7 0.5 0.0 11.5
0.98 0.73 0.52 0.60 0.5 0.5 0.5 0.5 1.0 1.0 1.0 1.0 1.0 1.0 0.87 0.88 0.53 0.52 0.86
Zeolites
16:323-802,
1996
731
LOV
Lovdarite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
NalzKq(Si2sBe8072). 18H20 Mt. Karnasurt, Lovezero Pluton, Pma2 (No. 28) n = 39.576 A b = 6.9308 ii Q1= 90" p = 90" X-ray single crystal refinement, S. Merlino, Eur. J. Mineral. Atom Nal Na2 Na3 Na4 K Sil Si2 Si3 Si4 Si5 Si6 Si7 Be1 Be2 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 017 018 019 Hz01 H202 H203 Hz04 H205
732
Zeolites
16:323-802,
1996
n: 0.25 0.25 0.1283 0.0069 0.3860 0.2113 0.2113 0.1952 0.1248 0.0582 0.0333 0.0458 0.1805 0.0670 0.25 0.2103 0.1858 0.2023 0.25 0.2106 0.1858 0.2065 0.1540 0.1409 0.0979 0.1057 0.0355 0.0563 0.0448 0.0514 0.0493 -0.0060 0.0678 0.2115 0.1438 0.1290 0.0744 0.0
2, 809-817 Y 0.6098 0.6217 0.8542 0.2840 0.0417 0.0504 0.0497 0.3671 0.5026 0.5267 0.2593 0.8202 0.7820 0.5415 -0.0319 0.2603 -0.0960 0.0905 -0.0324 0.2624 -0.1014 0.5870 0.3356 0.7122 0.4563 0.4735 0.3608 0.7205 0.5539 0.0501 0.3782 0.2198 -0.2501 0.5643 0.6958 0.1820 0.0616 0.0
Russia.
c = 7.1526 ii y = 90" R, = 0.09
(1990). t
Biso
OCC
0.2437 0.7683 0.6990 0.8652 0.1828 0.2770 0.7179 -0.0008 -0.0269 0.1399 0.4469 0.4588 0.0050 0.7334 0.2723 0.1857 0.1901 0.5007 0.7287 0.8147 0.8030 0.0011 0.0027 -0.0041 0.1463 0.7794 0.2493 0.2606 -0.0671 0.4226 0.6145 0.5039 0.6341 0.5123 0.4247 0.5459 0.8790 0.0134
1.95 1.97 2.18 6.10 1.98 0.73 0.84 0.77 0.89 0.92 0.79 0.87 0.47 1.00 0.61 1.35 1.12 1.33 1.20 1.14 1.15 0.77 1.33 1.25 1.00 1.34 1.22 1.89 1.40 1.13 1.51 1.43 0.88 2.17 2.38 2.70 3.91 8.03
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Hydrated
REFINED
COMPOSITION: CRYSTAL
LTA
Linde Type A
Nass(Si~6A1g603s4).0326.~~
DATA:
F&c
(No. 226)
a = 24.61 A
b = 24.61 A ct = 90” p = 90” X-ray single crystal refinement, REFERENCE:
c = 24.61 A y = 90” R, = 0.04
V. Gramlich and W. M. Meier, Z. Kristallogr. 133, 134-149 (1971).
Atom Na Si Al 01 02 03 04 05 06 07 08 09 010 011
Extra-framework
2
0.1064 0.0 0.0 0.0 0.0 0.0538 0.02 0.03 0.1598 0.1155 0.167 0.041 0.210 0.25
Y 0.1064 0.0929 0.1864 0.1116 0.1463 0.0583 0.03 0.02 0.1598 0.167 0.1155 0.210 0.041 0.25
atoms 05-011
z
&so
occ
0.1064 0.1844 0.0902 0.2473 0.1476 0.1704 0.064 0.064 0.1598 0.262 0.262 0.235 0.235 0.25
7.74 1.16 1.0 2.55 2.08 2.45 25.0 25.0 18.16 33.43 33.43 34.74 34.74 61.59
1.0 1.0 1.0 1.0 1.0 1.0 0.115 0.115 0.91 0.325 0.325 0.22 0.22 1.88
were assumed
to have oxygen scattering
Zeolites
factors.
16:323-602,
1996
733
LTA
Dehydrated
REFINED
COMPOSITION: CRYSTAL
Na91.7s(Si9SA1960384)
DATA:
Atom Nal Na2 Na3 Si Al 01 02 03
Zeolites
16:323-802,
1996
Fmgc (No. 226) a = 24.555 A b = 24.555 A $ = 90” cy = 90” X-ray single crystal refinement,
c = 24.555 A y = 90” R, = 0.023
J. J. Pluth and J. V. Smith, J. Am. Chem. Sot. 102, 4704-4708
REFERENCE:
734
Linde Type A
X
0.09960 0.0 0.2500 0.0 0.0 0.0 0.0 0.05379
Y 0.09960 0.2165 0.1060 0.09316 0.18715 0.11367 0.14459 0.05865
(1980).
z
Biso
occ
0.09960 0.2111 0.1060 0.18499 0.09042 0.24663 0.14591 0.17152
3.79 6.35 4.34 1.89 1.98 3.17 3.68 2.98
0.972 0.242 0.066 1.0 1.0 1.0 1.0 1.0
LTL
Perlialite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
(K 7.56T13.8)(Si24A112072).22.46H20 Murun Massif, Russia. PG/mmm (No. 191) a = 18.5432 A b = 18.5432 A Q = 90” p = 90” X-ray powder refinement, R,, G. Artioli and A. Kvick, Eur. J. Mineral. 2, 749-759
Atom
X
Kl K2 K21 K3 T13 K4 T14 Sil Si2 All Al2 01 02 03 04 05 06 Hz01 H202 H&3 Hz04 HZ05 Hz06
0.33 0.33 0.33 0.297 0.315 0.5 0.5 0.0924 0.1672 0.0924 0.1672 0.0 0.158 0.260 0.1038 0.4092 0.156 0.11 0.134 0.28 0.28 0.0 0.560
The presence of thallium of the zeolite framework
Y 0.66 0.66 0.66 0.0 0.0 0.0 0.0 0.3546 0.4975 0.3546 0.4975 0.272 0.316 0.520 0.4125 0.818 0.483 0.0 0.0 0.14 0.14 0.0 0.280
=
c = 7.5310 A y = 120” 0.20, R, = 0.17
(1990).
z
&so
occ
0.0 0.5 0.427 0.0 0.0 0.5 0.5 0.5 0.215 0.5 0.215 0.5 0.5 0.288 0.326 0.213 0.0 0.0 0.37 0.0 0.26 0.172 0.0
5.53 1.18 1.18 3.63 3.63 3.24 3.24 2.53 4.9 2.53 4.9 0.79 4.74 5.53 1.82 4.74 1.18 7.11 7.11 2.37 7.9 7.9 7.9
0.18 0.38 0.31 0.517 0.483 0.699 0.301 0.667 0.667 0.333 0.333 1.0 1.0 1.0 1.0 1.0 1.0 0.40 0.91 0.25 0.19 0.70 0.66
atoms at the K3 and K4 sites in the larger cavities is considered to be an artifact of heavy liquid separation.
Zeolites
16:323-602,
1996
735
LTL
Linde Twe
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
736
Zeolites
16:323-602,
1996
L
(NagK4.7)(Si27A19072).20.8H20 Synthetic material. PG/mmm (No. 191) a = 18.40 A b = 18.40 A c = 7.52 w a = 90” p = 90” y = 120” X-ray powder refinement, RF = 0.13 R. M. Barrer Z. Kristallogr.
Atom
X
Nal Na2 Kl K2 Sil Si2 All Al2 01 02 03 04 05 06 Hz01 Hz02 H&3 &to4 Hz05 Hz06 Hz07 Hz08
0.3333 0.0 0.3333 0.0 0.0946 0.1662 0.0946 0.1662 0.0 0.1646 0.2620 0.1004 0.4261 0.1360 0.0700 0.0 0.0 0.0 0.092 0.0 0.116 0.0
and H. Villiger, 128, 352-270 (1969).
9 0.6667 0.303 0.6667 0.5 0.3595 0.4989 0.3595 0.4989 0.2674 0.3292 0.5240 0.4078 0.8522 0.4691 0.1400 0.09 0.0 0.135 0.184 0.0 0.232 0.195
z
Biso
OCC
0.0 0.0 0.5 0.5 0.5 0.2137 0.5 0.2137 0.5 0.5 0.260 0.330 0.275 0.0 0.5 0.5 0.5 0.243 0.203 0.189 0.0 0.0
4.0 2.0 1.0 3.0 1.2 0.6 1.2 0.6 1.0 1.0 2.5 1.0 1.3 0.8 4.0 7.0 15.0 4.0 5.0 10.0 6.0 5.0
0.7 0.6 1.0 0.9 0.75 0.75 0.25 0.25 1.0 1.0 1.0 1.0 1.0 1.0 0.7 0.25 0.5 0.25 0.25 0.7 0.7 0.5
LTN
NaZ-21
CRYSTAL
DATA:
REFERENCE:
F& (No. 203) origin at centre a = 36.95 A b = 36.95 H, cl! = 90” p = 90” X-ray single crystal refinement,
(3) c = 36.95 H, y = 90” R = 0.051
Y. F. Shepelev, Y. I. Smolin, I. K. Butikova Doklady Akad. Nauk SSSR 272, 1133-1137
Atom
X
Nal Na2 Na3 Na4 Na5 Na6 Na7 Na8 Na9 NalO Nall Na12 Na13 Na14 Sil Si2 Si3 Si4 All Al2 Al3 Al4 01 02 03 04 05 06 07 08 09 010 011 012
0.0420 0.2312 0.2337 0.6964 0.4184 0.4322 0.4564 0.1770 0.1895 0.2006 0.1805 0.2723 0.2541 0.2311 0.2481 0.3103 0.1717 0.2230 0.3141 0.2484 0.2965 0.2850 0.2151 0.1613 0.3857 0.2580 0.1135 0.1982 0.3626 0.3261 0.2529 0.3209 0.2160 0.2652
Y 0.0420 0.2132 0.2337 0.6964 0.4184 0.4322 0.4564 0.0742 0.0621 0.0501 0.0705 0.1111 0.1110 0.1084 0.0633 0.1213 0.0154 0.0852 -0.0016 0.1221 0.0164 0.0853 0.0365 0.0917 0.0308 0.0866 0.0417 0.0495 0.0346 0.0877 0.0944 0.0698 0.1228 0.0686
z
Biso
OCC
0.0420 0.2132 0.2337 0.6964 0.4184 0.4322 0.4564 0.8278 0.8156 0.7983 0.4323 0.3621 0.3615 0.3640 0.6252 0.7456 0.9540 0.2858 0.8749 0.8066 0.0794 0.2273 0.6145 0.7357 0.0360 0.5894 0.4616 0.9583 0.7917 0.5060 0.8444 0.2537 0.9583 0.9861
3.0 0.8 3.0 2.4 3.0 3.5 3.3 2.1 2.4 2.6 2.7 2.8 0.9 3.0 0.4 0.5 0.4 0.7 0.5 0.5 0.4 0.7 1.6 1.0 1.7 1.3 1.4 1.6 1.4 1.8 1.4 1.9 1.7 1.8
1.0 0.56 0.26 0.77 0.53 0.21 0.09 0.46 0.24 0.23 1.0 0.6 0.25 0.15 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
continued.
and V. I. Tarasov, (1975).
..
Zeolites
16:323-802,
1996
737
LTN
Synthetic .
continuedfrom
previous
Atom 013 014 015 016 Hz01 Hz02 H&3 Hz04
Hz05 H2O6 Hz07
H2O8 Hz09 H2010 Hz011
738
Zeolites
16:323-802,
1996
NaZ-21
page X
Y
0.2454 0.1723 0.2803 0.2839 0.2685 0.3699 0.3693 0.3679 0.0754 0.3268 0.1558 0.1471 0.3553 0.3496 0.2063
0.1656 0.0018 0.0436 0.0653 0.2685 0.0673 0.0758 0.0911 0.0754 0.1250 0.0849 0.1066 0.0276 0.0471 0.0449
-,
0.8233 0.2433 0.3807 0.1852 0.2685 0.1659 0.1748 0.1828 0.0754 0.6250 0.8880 0.8896 0.3912 0.3987 0.1043
Biso 1.9 2.0 1.7 1.8 7.3 2.6 3.8 2.3 6.3 5.5 5.4 4.6 6.3 3.4 3.8
OCC
1.0 1.0 1.0 1.0 0.89 0.17 0.63 0.2 0.4 0.86 0.6 0.36 0.38 0.61 0.29
MAZ
Mazzite
REFINED
COMPOSITION:
CRYSTAL
N~.~(K~.~~Mg~Ca~.~s)(Si~s.~~A1~.~~0~~)~31.48H~0 Mont Semiol, Loire, France.
DATA:
P6s/mmc
(No.
a = 18.392 A ct = 90" X-ray REFERENCE:
b = 18.392 A p = 90"
single crystal
E. Galli, Rend. Sot. Ital.
Atom Na K Mg Cal Ca2 Sil Si2 All A12 01 02 03 04 05 06 Hz01 Hz02 H203 Hz04 Hz05 Hz06 Hz07
194)
2
0.5 0.5 0.3333 0.5 0.0 0.1584 0.3536 0.1584 0.3536 0.2589 0.4249 0.3822 0.4352 0.1614 0.2741 0.467 0.3333 0.271 0.566 0.028 0.088 0.076
refinement,
Mineral.
Y 0.0 0.0 0.6667 0.0 0.0 0.4902 0.0933 0.4902 0.0933 0.5178 0.8498 0.1004 0.1114 0.3228 0.0 0.934 0.6667 0.542 0.355 0.148 0.176 0.152
Petrol.
z 0.0 0.0 -0.25 0.0 0.072 0.25 0.0444 0.25 0.0444 0.25 0.25 0.25 -0.0721 -0.0016 0.0 0.661 0.016 -0.25 0.25 0.030 0.25 -0.25
c = 7.646 A y = 120”
R, = 0.05 31, 599-612
&so 4.61 4.61 2.71 4.61 23.2 1.05 1.05 1.05 1.05 2.38 1.9 2.14 2.27 1.96 2.37 6.4 4.3 5.4 6.9 7.7 21.8 31.2
(1975).
occ 0.05 0.42 1.0 0.03 0.22 0.73 0.73 0.27 0.27 1.0 1.0 1.0 1.0 1.0 1.0 0.5 1.0 0.44 0.44 0.23 0.89 0.45
Zeolites
16:323-602,
1996
739
ZSM-18
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
Si34068 P6& (No. 176) a = 13.175 8, b = 13.175 w a! = 90” p = 90” DLS refinement
Sil Si2 Si3 Si4 01 02 03 04 05 06 07
Zeolites
16:323-802,
1996
c = 15.848 A y = 120”
S. L. Lawton and W. J. Rohrbaugh, Science 247, 1319-1322, (1990).
Atom
740
SiOa framework
X
Y
z
0.6667 0.6713 0.4522 0.5266 0.6667 0.6623 0.5793 0.4217 0.4540 0.6506 0.6443
0.3333 0.1500 0.1161 0.2118 0.3333 0.2169 0.1388 0.1984 0.1495 0.2126 0.0200
0.3495 0.4700 0.5682 0.7500 0.2500 0.3878 0.5411 0.5101 0.6663 0.7500 0.4453
Calcined
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
MEL
ZSM-11
SigsO192 IZm2 (No. 119) a = 20.067 8, b = 20.067 8, c = 13.411 A a = 90” p = 90” y = 90” X-ray Rietveld refinement, R, = 0.13; At T = 100°C. C. A. Fyfe, H. Gies, G. T. Kokotailo, C. Pasztor, J. Am. Chem. Sot. 111, 2470-2474 (1989).
Atom Sil Si2 Si3 Si4 Si5 Si6 Si7 01 02 03 04 05 06 07
08 09 010 011 012 013 014 015
X
Y
2
Biso
0.0777 0.1212 0.0775 0.2801 0.3053 0.1938 0.0761 0.0873 0.1067 0.0926 0.2018 0.3309 0.3003 0.3095 0.1204 0.2511 0.0905 0.0 0.0 0.0926 0.1295 0.0875
0.0777 0.1860 0.2219 0.1882 0.0768 0.1938 0.3819 0.0 0.1179 0.1856 0.1993 0.1186 0.0 0.1905 0.1931 0.1927 0.3010 0.2090 0.3960 0.2437 0.4078 0.4125
0.0000
0.34 1.64 1.29 0.39 0.28 1.1 -0.20 3.30 2.83 1.71 1.79 1.62 0.77 3.27 0.24 1.43 1.16 3.49 -0.34 1.59 0.03 -1.59
0.1451 0.3569 0.1403 -0.0079 0.5 0.3589 0.0279 0.0975 0.2550 0.1506 0.0889 0.0247 0.25 0.4478 0.4252 0.3497 0.3875 0.3871 0.0900 0.4348 0.25
H. Strobl
and D. E. Cox,
OCC
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-802,
1996
741
MEP
Melanophlogite
REFINED
COMPOSITION:
CRYSTAL
(Si46092).Cs Mt. Hamilton,
Pm%
DATA:
California,
U.S.A.
(No. 223)
a = 13.436 A b = 13.436 A cy = 90” )‘3 = 90” X-ray single crystal refinement, REFERENCE:
H. Gies, Z. Kristallogr.
Atom Sil Si2 Si3 01 02 03 04 Cl c2
Cl represents
742
Zeolites
16:323-802,
1996
164, 247-257
X 0.0
lY 0.3098
0.1826 0.25 0.0963 0.0 0.3423 0.25 0.25 0.0
0.1826 0.0 0.2465 0.4056 0.0 0.25 0.5 0.0
guest molecules
c = 13.436 ii y = 90”
R, = 0.04
(1983).
z 0.1142 0.1826 0.5 0.1360 0.1813 0.0 0.25 0.0 0.0
Biso 1.71 1.72 1.43 4.88 4.78 2.76 5.81 39.37 13.74
Nz and CO2 collapsed
occ 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
to a site.
MER
Merlinoite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
(Nao.ssK:,.zsCa~.84~Ba~.444)(Si~~.~~A1~.~~0~~)~19.44H~O Cupaello, Italy. Immm (No. 71) a = 14.116 A b = 14.229 A o! = 90” p = 90” X-ray single crystal refinement, E. Galli, G. Gottardi Neues Jahrb. Miner.
Atom Nal Na2 Na3 Kl K2 K3 K4 K5 Cal Ca2 Ca3 Bal Ba2 Ba3 Ba4 Ba5 $1 Si2 All Al2 01 02 03 04 05 06 Hz01 Hz02 Hz03 &to4 Hz05 Hz06 Hz07 Hz08
X
0.5 0.390 0.333 0.156 0.5 0.5 0.390 0.333 0.5 0.390 0.333 0.156 0.5 0.5 0.390 0.333 0.1097 0.2816 0.1097 0.2816 0.1235 0.3089 0.0 0.2767 0.1765 0.3661 0.5 0.0 0.385 0.5 0.459 0.251 0.446 0.443
Y 0.5 0.363 0.380 0.5 0.192 0.5 0.363 0.380 0.5 0.363 0.380 0.5 0.192 0.5 0.363 0.380 0.2473 0.1102 0.2473 0.1102 0.2830 0.1177 0.2155 0.0 0.1568 0.1638 0.0 0.5 0.5 0.5 0.274 0.464 0.420 0.5
c = 9.946 H, y = 90”
R = 0.09
and D. Pongiluppi, Monatsh. 1, l-9 (1979).
z
&so
occ
0.275 0.0 0.0 0.0 0.0 0.275 0.0 0.0 0.275 0.0 0.0 0.0 0.0 0.275 0.0 0.0 0.1563 0.1596 0.1563 0.1596 0.0 0.0 0.1839 0.2096 0.1924 0.2454 0.0 0.158 0.159 0.0 0.0 0.0 0.062 0.5
12.0 12.0 12.0 3.8 3.8 12.0 12.0 12.0 12.0 12.0 12.0 3.8 3.8 12.0 12.0 12.0 1.0 1.0 1.0 1.0 1.8 1.5 1.8 1.9 2.3 2.6 6.8 4.9 9.8 3.7 5.8 3.6 11.2 12.0
0.054 0.022 0.036 0.419 0.419 0.09 0.136 0.06 0.147 0.059 0.098 0.041 0.041 0.009 0.004 0.006 0.71 0.71 0.29 0.29 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.6 0.2 0.2 0.21 0.2 0.44
Zeolites
16:323-602,
1996
743
MER REFINED
Barium
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
(Ba3C120)4(Si21.34A110.66064) 14/mmm (No. 139) a = 14.194 A b = 14.194 A o! = 90” p = 90” X-ray single crystal refinement,
Atom
Zeolites
16:323-802,
1996
c = 9.234A y = 90” R = 0.14
L. P. Solov’eva, S. V. Borisov and V. V. Bakakin, Sov. Phys. - Crystallogr. 16, 1035%1038 (1972).
Bal Ba2 Cl 02Si Al 01 02 03 04
744
chloroaluminosilicate
X
0.1816 0.5 0.375 0.0 0.2386 0.2386 0.193 0.350 0.158 0.257
Y
z
0.5 0.5 0.375 0.5 0.3917 0.3917 0.390 0.350 0.342 0.5
0.5 0.288 0.5 0.25 0.157 0.157 0.0 0.156 0.25 0.213
ho 5.0 14.5 5.1 4.8 2.2 2.2 3.6 4.6 7.0 3.3
occ
1.0 1.0 1.0 1.0 0.6667 0.3333 1.0 1.0 1.0 1.0
Tetrapropylammonium
REFINED
COMPOSITION: CRYSTAL
ZSM-5
(Si960192).4C12N
DATA:
REFERENCE:
Pnma (No. 62) a = 20.022 A b = 19.899 A o! = 9o” p = 9o” X-ray single crystal refinement,
c = 13.383 A y = 9o” R, = 0.044
H. van Koningsveld, H. van Bekkum Acta Cryst. B43, 127-132 (1987).
Atom
X
Sil Si2 Si3 Si4 Si5 Si6 Si7 Si8 Si9 Silo Sill Si12 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 017 018 019 020 021 022
0.42238 0.30716 0.27911 0.12215 0.07128 0.18641 0.42265 0.30778 0.27554 0.12058 0.07044 0.18706 0.3726 0.3084 0.2007 0.0969 0.1149 0.2435 0.3742 0.3085 0.1980 0.0910 0.1169 0.2448 0.3047 0.0768 0.4161 0.4086 0.4020 0.1886 0.1940 0.1951 -0.0037 -0.0040
Y 0.05650 0.02772 0.06127 0.06298 0.02722 0.05896 -0.17250 -0.13016 -0.17279 -0.17310 -0.13037 -0.17327 0.0534 0.0587 0.0592 0.0611 0.0541 0.0553 -0.1561 -0.1552 -0.1554 -0.1614 -0.1578 -0.1594 -0.0510 -0.0519 0.1276 -0.0017 -0.1314 0.1298 0.0007 -0.1291 0.0502 -0.1528
and J. C. Jansen,
z
&so
OCC
-0.33598 -0.18930 0.03120 0.02670 -0.18551 -0.32818 -0.32718 -0.18548 0.03109 0.02979 -0.18200 -0.31933 -0.2442 -0.0789 0.0289 -0.0856 -0.2763 -0.2460 -0.2372 -0.0728 0.0288 -0.0777 -0.2694 -0.2422 -0.1866 -0.1769 -0.3896 -0.4136 -0.4239 -0.3836 -0.4082 -0.4190 -0.2080 -0.2078
1.39 1.63 1.52 1.43 1.26 1.41 1.46 1.57 1.39 1.52 1.52 1.58 3.87 3.16 5.05 3.47 2.68 3.63 3.71 3.47 3.16 4.58 3.79 4.34 5.61 3.71 3.47 3.63 3.16 2.84 3.55 3.4 2.61 3.16
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
continued.
..
Zeolites
16:323-602,
1996
745
MFI
Tetrapropylammonium . . . continued
from previous page Atom 023 024 025 026 N Cl c2 c3 c4 c5 C6 c7 C8 c9 Cl0 Cl1 Cl2 c21 c22 C23 C24 C25 C26 C27 C28
746
Zeolites
16:323-802,
ZSM-5
1996
z 0.4192 0.1884 0.2883 0.1085 0.4762 0.495 0.568 0.578 0.399 0.355 0.278 0.505 0.473 0.496 0.508 0.490 0.529 0.413 0.355 0.285 0.534 0.546 0.601 0.468 0.516
Y -0.2500 -0.2500 -0.2500 -0.2500 0.250 0.233 0.250 0.250 0.274 0.228 0.250 0.319 0.334 0.412 0.199 0.124 0.088 0.229 0.272 0.250 0.279 0.225 0.250 0.315 0.335
z
&so
occ
-0.3540 3.47 1.0 -0.3538 2.68 1.0 0.0579 2.61 1.0 0.0611 2.37 1.0 -0.1095 5.45 1.0 -0.221 4.58 0.3 -0.241 7.66 0.6 -0.362 7.74 0.6 -0.100 5.05 0.3 -0.150 10.74 0.3 -0.147 8.21 0.6 -0.089 5.13 0.3 -0.019 6.55 0.3 0.045 6.95 0.5 -0.032 9.55 0.5 -0.045 8.61 0.5 0.033 5.68 0.5 -0.166 6.55 0.2 -0.150 10.74 0.2 -0.195 8.69 0.4 -0.185 5.29 0.2 -0.263 5.76 0.2 -0.332 10.19 0.4 -0.060 4.82 0.2 0.020 4.82 0.2
Calcined
REFINED coMPosITIoN: CRYSTAL
sig60192
DATA:
REFERENCE:
MFI
ZSM-5
Pl 21/n 1 (No. 14) unique axis b, cell choice 2 a = 19.879 A b = 20.107 A c = 13.369 A a = 90” j3 = 90.67” y = 90” X-ray single crystal refinement, R, = 0.045 H. van Koningsveld, Zeolites 10, 235-242
Atom Sil Si2 Si3 Si4 Si5 Si6 Si7 Si8 Si9 Silo Sill Si12 Si13 Si14 Si15 Si16 Si17 Si18 Si19 Si20 Si21 Si22 Si23 Si24 01 02 03 04 05 06 07 08 09 010
X
0.05546 0.03090 0.06249 0.06233 0.02804 0.05585 -0.17148 -0.12653 -0.17590 -0.17634 -0.12939 -0.16528 0.44297 0.47305 0.43889 0.43563 0.47315 0.43778 0.67204 0.63130 0.66892 0.67007 0.63082 0.68070 0.0588 0.0662 0.0472 0.0671 0.0443 0.0477 -0.1533 -0.1669 -0.1558 -0.1689
J. C. Jansen and H. van Bekkum, (1990).
Y 0.42056 0.31368 0.27960 0.12395 0.07678 0.19556 0.42542 0.31225 0.27325 0.11895 0.07156 0.19079 0.42837 0.31237 0.27704 0.12155 0.07096 0.18737 0.42389 0.31278 0.27312 0.11867 0.07268 0.19446 0.3779 0.3106 0.2018 0.1032 0.1230 0.2483 0.3769 0.3050 0.1960 0.0885
2
&so
OCC
-0.31990 -0.16358 0.05346 0.03674 -0.15797 -0.31331 -0.31930 -0.17388 0.03597 0.03436 -0.17516 -0.31408 -0.33456 -0.18814 0.02940 0.03380 -0.17844 -0.31743 -0.31417 -0.16836 0.04608 0.03868 -0.17757 -0.29789 -0.2194 -0.0564 0.0465 -0.0784 -0.2693 -0.2248 -0.2289 -0.0725 0.0316 -0.0753
0.26 0.29 0.29 0.29 0.26 0.26 0.29 0.29 0.26 0.29 0.29 0.29 0.26 0.29 0.29 0.29 0.26 0.29 0.26 0.32 0.29 0.29 0.32 0.26 0.79 0.63 0.92 0.63 0.66 0.89 0.89 0.79 0.76 0.89
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
continued.
..
Zeolites
16:323-802,
1996
747
MFI
Calcined . . . continued
from previous
Atom 011 012 013 014 015 016 017 018 019 020 021 022 023 024 025 026 027 028 029 030 031 032 033 034 035 036 037 038 039 040 041 042 043 044 045 046 047 048
748
Zeolites
16:323-802,
1996
ZSM-5
page z
Y
z
-0.1511 0.1208 -0.2630 -0.1376 0.2483 -0.2424 -0.0485 0.3189 -0.1490 -0.0509 0.0781 -0.1529 0.1253 0.4145 -0.3771 -0.0041 0.3923 -0.3892 -0.1340 0.4022 -0.4186 0.1298 0.2003 -0.3583 0.0026 0.2099 -0.4008 -0.1275 0.1948 -0.4188 0.0515 0.0032 -0.2041 -0.1475 -0.0023 -0.2098 -0.2501 0.4239 -0.3413 -0.2435 0.1987 -0.3356 -0.2525 0.2822 0.0676 -0.2526 0.1101 0.0697 0.4503 0.3799 -0.2408 0.4480 0.3143 -0.0754 0.4318 0.1991 0.0094 0.4478 0.0812 -0.0669 0.4351 0.1206 -0.2527 0.4401 0.2505 -0.2451 0.6590 0.3797 -0.2169 0.6459 0.3148 -0.0508 0.6513 0.1961 0.0270 0.6559 0.0822 -0.0653 0.6678 0.1232 -0.2504 0.6694 0.2497 -0.2144 0.5530 0.3054 -0.1913 0.5519 0.0851 -0.1834 0.3714 0.4186 -0.3885 0.5015 0.4154 -0.4135 0.6320 0.3938 -0.4087 0.3711 0.1900 -0.3847 0.5032 0.1862 -0.3863 0.6326 0.2074 -0.3914 0.4576 -0.0039 -0.2104 0.6481 -0.0013 -0.2120
Biso 0.87 0.95 1.03 0.74 0.82 0.87 0.71 0.63 0.82 0.68 0.58 0.68 0.82 0.68 0.61 0.53 0.92 0.68 0.82 0.84 0.63 0.79 0.74 0.58 0.68 0.92 0.92 0.84 1.05 0.84 0.89 0.76 0.74 0.66 0.74 0.92 0.66 0.71
OCC
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
ZSM-57
REFINED
coMPosITIoN: CRYSTAL
DATA:
REFERENCE:
SiO, framework
&X6072 Imm2 (No. 44) a = 7.4510 A b = 14.1711 A Q = 90” p = 90” DLS refinement. J. L. Schlenker, J. B. Higgins Zeolites 10. 293-296 (1990).
Atom Sil Si2 Si3 Si4 Si5 Si6 Si7 Si8 01 02 03 04 05 06 07 08 09 010 011 012 013 014
X 0.0000 0.0000 0.0000
0.2941 0.2057 0.2939 0.0000 0.2945 0.0000 0.1754 0.0000 0.1755 0.8255 0.0000 0.5000 0.2531 0.0000 0.2441 0.5000 0.5000 0.1748 0.2570
Y 0.0000 0.2043 0.6998 0.0000 0.1963 0.7017 0.5000 0.5000 0.0915 0.0000 0.2369 0.2405 0.7253 0.5912 0.0000 0.0916 0.2031 0.2688 0.7234 0.5000 0.5000 0.5917
c = 18.767 A y = 90”
and E. W. Valyocsik,
Z 0.0000
0.9486 0.7986 0.1176 0.1848 0.0427 0.8668 0.9848 0.9503 0.0473 0.8678 0.9876 0.7524 0.8173 0.0946 0.1632 0.2079 0.1221 0.0276 0.9611 0.9149 0.0319
Zeolites
16:323-802.
1996
749
MON
Montesommaite
REFINED
COMPOSITION:
CRYSTAL
DATA:
K4.24(Si11.3A14.7032).4HzO Pollena, Mt. Somma-Vesuvius.
I4 1/ amd (No. a = 7.141 A
ck= 90” X-ray REFERENCE:
K Si Al 01 02 03 H20
Zeolites
16:323-802,
1996
141) origin at centre (2/m) b = 7.141 A c = 17.307 A ,ti = 90” y = 90” refinement of idealized substructure,
R. C. Rouse, P. J. Dunn. J. D. Grice, J. L. Schlenker Am. Mineral. 75, 1415--1420, (1990).
Atom
750
powder
Italy.
cl0.000 0.000 0.000 0.000
0.186 0.000 0.000
Y 0.000 0.463 0.463 0.250 0.436 0.000 0.250
z
&so
occ
0.500 0.090 0.090 0.116 0.875 0.000 0.342
1.97 0.39 0.39 1.18 1.18 1.18 1.18
0.53 0.706 0.294 1.0 1.0 1.0 0.5
R = 0.10 and J. B. Higgins,
MO&R
Mordenite
REFINED
COMPOSITION:
CRYSTAL
Nas(Si40Als096).25H20 Challis, Idaho, U.S.A.
DATA:
REFERENCE:
Cmcm (No. 63) a = 18.11 A b = 20.53 8, cx = 90” p = 90” X-ray single crystal refinement, V. Gramlich, PhD dissertation, And V. Gramlich,
Atom Nal Na2 Sil Si2 Si3 Si4 All Al2 01 02 03 04 05 06 07 08 09 010 Hz01 Hz02 Hz03 Hz04 Hz05
2 0.0 0.0
0.19897 0.19656 0.0871 0.0866 0.0871 0.0866 0.1232 0.1226 0.2632 0.0974 0.1694 0.1769 0.2324 0.25 0.0 0.0 0.040 0.0 0.0 0.109 0.0
c = 7.528 H, y = 90” R = 0.07
ETH, Zurich, (1971). private communication.
Y
z
0.5 0.4335 0.42771 0.19092 0.3840 0.2280 0.3840 0.2280 0.4170 0.1946 0.3776 0.3057 0.1946 0.4212 0.5 0.25 0.4071 0.2061 0.303 0.181 0.094 0.030 -0.009
0.0 0.75 0.5418 0.5454 0.25 0.25 0.25 0.25 0.4292 0.4262 0.4887 0.25 0.75 0.75 0.5 0.5 0.25 0.25 0.75 0.75 0.502 0.75 0.25
&so 2.50 4.95 1.37 1.49 1.21 1.32 1.21 1.32 3.09 2.95 3.63 3.61 3.62 2.66 2.35 4.72 2.17 3.00 16.32 13.84 21.32 17.5 22.84
occ 1.0 1.0 1.0 1.0 0.5 0.5 0.5 0.5 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.5 1.0 1.0 1.0 0.25
Zeolites
16:323-802,
1996
751
MOR REFINED
Maricopaite
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
Pblo.ss(Si36.38A111.020104).26.5H20 Moon Anchor Mine, Tonopah, AZ, U.S.A. Interrupted MOR framework. Cm2m (No. 38) cab setting a = 19.432 A b = 19.702 A Q = 90” p = 90” X-ray single crystal refinement;
c = 7.538 A y = 90” R, = 0.051
R. C. Rouse and D. R. Peacor, Am. Mineral. 79, 175-184 (1994).
Atom Pbl Pb2 Pb3 Pb4 Sil Si2 Si3 Si4 Si5 Si6 Si7 Si8 All Al2 Al3 Al4 Al6 Al7 Al8 01 02 03 04 05 06 07 08 09 010 011 012 013 014
X
0.0975 0.0977 0.0 0.0 0.1790 0.3211 0.2546 0.1395 0.1342 0.2554 0.0794 0.0817 0.1790 0.3211 0.2546 0.1395 0.2554 0.0794 0.0817 0.1861 0.0810 0.0932 0.0862 0.3443 0.1820 0.3134 0.1607 0.0863 0.1865 0.2500 0.1164 0.3832 0.2897
Y 0.1044 0.8988 0.9662 0.0359 0.2907 0.2169 0.9283 0.9238 0.0843 0.0779 0.2311 0.7763 0.2907 0.2169 0.9283 0.9238 0.0779 0.2311 0.7763 0.9200 0.144 0.9916 0.8586 0.2307 0.0864 0.1342 0.2769 0.0162 0.3708 0.2536 0.2604 0.2424 0.0030
z 0.500 0.0 0.2377 0.2516 0.2956 0.2043 0.2076 0.500 0.0 0.2885 0.0 0.500 0.2956 0.2043 0.2076 0.500 0.2885 0.0 0.500 0.3250 0.0 0.500 0.500 0.0 0.1811 0.2417 0.500 0.0 0.2641 0.2506 0.1761 0.3218 0.2460
continued. 752
Zeolites
16:323-802,
1996
occ
&J 2.25 1.83 2.29 3.4 1.17 1.38 1.18 1.0 1.1 1.26 1.6 1.1 1.17 1.38 1.18 1.0 1.26 1.6 1.1 2.9 2.3 3.8 1.4 2.2 1.7 2.3 3.5 2.4 2.0 3.6 3.0 3.3 2.5
0.83 0.245 0.622 0.175 0.736 0.735 0.736 0.736 1.0 0.736 0.736 0.736 0.264 0.264 0.264 0.234 0.234 0.234 0.234 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 ..
MO,R
Maricopaite . . . continued
from previous
Atom 015 016 017 018 Hz019 Hz020 Hz021 Hz022 Hz023 Hz024 Hz025 Hz026 Hz027 Hz028
page
2 0.2278 0.2340 0.0 0.0 0.0 0.0 0.085 0.0 0.061 0.077 0.074 0.079 0.070 0.0
Y 0.9219 0.0838 0.2530 0.7557 0.0828 0.231 0.561 0.501 0.594 0.456 0.457 0.871 0.151 0.933
&so 0.0 2.5 0.500 2.0 0.0 2.5 0.500 2.6 0.3098 2.2 0.500 2.6 0.0 2.6 0.099 2.6 0.500 2.6 0.241 2.6 0.385 2.6 0.0 2.6 0.500 2.6 0.215 2.6 Z
occ
1.0 1.0 1.0 1.0 0.925 0.95 0.6 0.5 0.275 0.175 0.2 0.575 0.175 0.475
Zeolites
16:323-802,
1996
753
MTN REFINED
Dodecasil
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
(Si1360272) .N24 Fdz (No. 203) origin at centre (3) a = 19.402 A b = 19.402 A c = 19.402 A a = 90” B = 90” y = 90” X-ray single crystal refinement, R, = 0.06 H. Gies, Z. Kristallogr.
Atom Sil Si2 Si3 01 02 03 04 Nl N2
754 Zeolites
16:323-802,
1996
3C
X
0.0676 0.2164 0.125 0.0932 0.0433 0.125 0.1704 0.0 0.625
167, 73-82 (1984).
Y 0.0676 0.2164 0.125 0.4065 0.2995 0.3734 0.1704 0.0 0.625
25
0.3700 0.2164 0.125 -0.0001 0.4505 0.125 0.1704 0.0 0.625
Biso
occ
2.04 1.53 1.42 4.97 6.24 4.29 9.32 20.0 20.0
1.0 1.0 1.0 1.0 1.0
1.0 1.0 1.0 1.0
Ammonium
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
fluoride
MTT
EM-23
(Si2404s).(NF)1.72 P1211 (No. 4) unique axis b a = 11.129 A b = 5.025 A c = 21.519 A a = 90” p = 89.85” y = 90” X-ray Rietveld refinement, Rexp = 0.033, Rwp =
0.085, RF = 0.089
B. Marler, C. Deroche, H. Gies, C. A. Fyfe, H. Grondey, Y. Feng, S. Ernst, J. Weitkamp and D. E. Cox, J. Appl. Cryst. 26, 636-644 (1993).
Atom Sil Si2 Si3 Si4 Si5 Si6 Si7 Si8 Si9 Silo Sill Si12 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 017 018 019 020 021 022 023 024 F N
2
Y
-0.009 -0.02 0.726 0.228 0.312 0.476 0.346 0.600 -0.010 0.726 0.232 0.355 0.603 0.012 0.866 0.093 0.683 0.655 0.231 0.317 0.368 0.564 0.486 0.866 0.100 0.679 0.226 0.553 0.497 0.708 0.322 -0.001 0.701 0.269 0.422 0.652 0.285 0.938 0.89
-0.082 -0.112 0.00 0.503 0.390 0.417 -0.10 -0.012 -0.077 0.424 0.487 0.27 -0.02 -0.09 -0.04 0.122 -0.05 0.085 0.292 0.49 0.44 -0.07 -0.05 -0.03 -0.03 0.43 0.46 0.28 0.130 0.11 0.621 0.584 0.797 0.786 0.632 0.55 0.06
2.
0.4578 0.425 0.384 0.251 0.249 0.434 0.378 0.0422 0.077 0.118 0.063 0.120 0.487 0.422 0.408 0.495 0.381 0.311 0.419 0.254 0.308 0.423 0.079 0.089 0.008 0.192 0.189 0.071 0.103 0.086 -0.014 0.401 0.392 0.246 0.120 0.106 0.215 0.261
BiSO 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 31.58 31.58
G. T. Kokotailo,
occ 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.86 0.86
Zeolites
16:323-802,
1996
755
MTW REFINED
Calcined
coI\/IPosITIoN: CRYSTAL
si560112
DATA:
Cl 2/c 1 (No. 15) unique axis b. cell choice 1 a = 24.8633 A b = 5.01238 A c = 24.3275 A ,?I = 107.7215” y = 90” Q’ = 90” X-ray Rietveld refinement, RexP = 0.058, R,, = 0.181, RI = 0.069 C. A. Fyfe, H. Gies, G. T. Kokotailo, B. Marler J. Phys. Chem. 94, 3718-3721, (1990).
REFERENCE:
Atom Sil Si2 Si3 Si4 Si5 Si6 Si7 01 02 03 04 05 06 07 08 09 010 011 012 013 014
Overall
756
Zeolites
16:323-802,
ZSM-12
thermal
1996
parameter
X
0.4402 0.0678 0.3754 0.1338 0.2836 0.2139 0.2869 0.4280 0.5034 0.4245 0.3301 0.0841 0.3452 0.2504 0.2602 0.1554 0.1853 0.2997 0.3995 0.1069 0.2343
Y
z
0.5319
0.4129 0.4589 0.3609 0.4484 0.4275 0.3832 0.2463 0.4730 0.4225 0.3872 0.3956 0.4513 0.2972 0.2629 0.4078 0.3911 0.5026 0.1886 0.3702 0.4394 0.4093
-0.0708 0.0320 0.4218 0.0822 0.5853 0.0100 0.5053 0.4725 0.8220 -0.0045 -0.3624 -0.0218 0.2441 0.3716 0.5101 0.4480 0.0905 0.3370 0.1372 0.8828
and D. E. Cox,
B = 0.01 was used in the refinement.
NAT
Natrolite
REFINED
COMPOSITION:
CRYSTAL
Nals(Siz~AllsOso).16HzO Aussig, Bohemia.
DATA:
Fdd2
(No. 43)
a = 18.30 A
b = 18.63 A p = 90” (u = 90” X-ray single crystal refinement, REFERENCE:
W. M. Meier, Z. Kristallogr.
Atom Na Sil Si2 Al 01 02 03 04 05 Hz0
113, 430-444
c = 6.60 A y = 90” R,, = 0.08
(1960).
2
Y
z
Biso
OCC
0.2208 0.0 0.1532 0.0376 0.0227 0.0704 0.0986 0.2063 0.1799 0.0564
0.0305 0.0 0.2112 0.0936 0.0683 0.1824 0.0346 0.1526 0.2272 0.1893
0.6120 0.0 0.6181 0.6119 0.8594 0.6011 0.4997 0.7166 0.3860 0.1085
2.00 1.07 1.0 1.12 1.81 1.10 1.55 1.24 1.83 2.50
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-802,
1996
757
NAT
Gonnardite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
Occupancy
758
Zeolites
16:323-802,
1996
(Na~.~~sCa~.~~~)(Si~~.~~A1~.~~0~~)~12H~O~Hs Tvedalen, Langesund District, Norway. I32d (No. 122) a = 13.21 A b = 13.21 ih ct = 90” p = 90” X-ray single crystal refinement,
c = 6.622 ii y = 90” R = 0.03
F. Mazzi, A. 0. Larsen, G. Gottardi and E. Galli, Neues Jarhb. Mineral. Monatsh. 219-228 (1986).
Atom
X
Na+ Ca2+ Si Si4+ Si Si’+ Al Al”+ Al A13+ 0 020 020 02Hz01 Hz02 H
0.3084 0.3084 0.0 0.0 0.1332 0.1332 0.0 0.0 0.1332 0.1332 0.25 0.25 0.0917 0.0917 0.4369 0.4369 0.2500 0.1280 0.2500
Y 0.2500 0.2500 0.0 0.0 0.0536 0.0536 0.0 0.0 0.0536 0.0536 0.1037 0.1037 0.4497 0.4497 0.3674 0.3674 0.3652 0.2434 0.4272
z
&3
occ
0.1250 0.1250 0.0 0.0 0.3789 0.3789 0.0 0.0 0.3789 0.3789 0.375 0.375 0.1094 0.1094 0.0210 0.0210 0.3750 0.0545 0.3750
2.35 2.35 0.84 0.84 0.78 0.78 0.84 0.84 0.78 0.78 1.16 1.16 1.71 1.71 1.64 1.64 3.36 6.02 0.11
0.816 0.184 0.284 0.29 0.292 0.205 0.189 0.237 0.238 0.265 0.271 0.729 0.271 0.729 0.271 0.729 1.0 0.25 1.0
of second SI“+ site has been corrected
from 0.265 to 0.205.
NAT REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
(NaCa)re(Si~2A14s02~e).64H20 Poona, India. Fdd2 (No. 43) a = 18.4049 A b = 56.655 A a = 90” p = 90” X-ray single crystal refinement,
c = 6.5443 A y = 90” R, = 0.052
G. Artioli, J. V. Smith and J. J. Pluth, Acta Cryst. C42, 937-942 (1986). Atom Na Ca Sil Si2 Si3 Si4 Si5 All Al2 AI3 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 Hll H12 H21 H22 H31 H32 H41 H42 021 022 023 024
X
0.96736 0.22807 0.75000 0.15499 0.90188 0.08794 0.00435 0.78689 0.03630 0.95155 0.76818 0.02298 0.98498 0.82365 0.07262 0.16644 0.84335 0.09631 0.88933 0.95568 0.20947 0.02193 0.93735 0.18020 0.07638 0.0450 0.0881 0.7773 0.8085 0.2274 0.1685 0.8072 0.8615 0.05347 0.78167 0.20069 0.81793
Y 0.76089 0.82737 0.75000 0.76432 0.81979 0.84688 0.83180 0.78025 0.80211 0.86233 0.77289 0.80800 0.85319 0.80837 0.77385 0.85935 0.75866 0.82339 0.84183 0.80062 0.78462 0.86358 0.82799 0.75695 0.83892 0.7813 0.7679 0.8037 0.8232 0.8560 0.8438 0.8702 0.8525 0.76839 0.81598 0.84820 0.85687
2
0.63172 0.88068 0.00000 0.87210 0.65040 0.65213 0.27740 0.61310 0.89287 0.89294 0.86482 0.15228 0.12809 0.59682 0.86425 0.67096 0.51529 0.79447 0.80185 0.75319 0.95950 0.71805 0.43383 0.64166 0.41273 0.322 0.420 0.018 0.004 0.247 0.260 0.387 0.359 0.37684 0.07685 0.18338 0.36556
Biso 1.48 0.91 0.55 0.48 0.50 0.52 0.53 0.50 0.52 0.51 1.03 0.98 1.18 0.70 0.72 0.83 1.00 0.93 0.98 1.06 0.86 1.00 1.09 1.06 0.99 0.7 0.9 1.0 2.7 2.1 1.2 0.6 2.0 1.67 2.83 2.46 2.05
OCC
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:3X3-802,
1996
759
NAT
Scolecite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
760
Zeolites
16:323-802,
1996
Ca4(Sir2Als04c).12HzO Bombay, India. Clcl (No. 9) unique axis b, cell choice 1 a = 6.5222 A b = 18.9678 A c = 9.8398 A o! = 90” p = 109.972” y = 90” X-ray single crystal refinement, R, = 0.031 J. V. Smith, J. J. Pluth, G. Artioli and F. K. Ross, Proc. 6th International Zeolite Conf., Reno 1983, Ed. by D. H. Olson and A. Bisio, Butterworths, London, 842-850 (1984).
Atom
2
Y
z
Biso
OCC
Ca Sil Si2 Si3 All Al2 01 02 03 04 05 06 07 08 09 010 Hz01 Hz02 H203
0.16217 0.5 0.22996 0.54002 0.93441 0.35577 0.5425 0.4471 0.3834 0.1153 0.3536 0.0863 0.4143 0.0764 0.7889 0.6603 0.8906 0.9080 0.5787
0.14321 0.37057 0.33185 0.08259 0.46209 0.21663 0.03146 0.04597 0.15127 0.19942 0.29954 0.27133 0.35860 0.39545 0.11007 0.43692 0.0803 0.3263 0.4454
0.05204 0.0 0.20022 0.33102 0.09971 0.43387 0.4608 0.1174 0.3157 0.4684 0.3584 0.0907 0.1343 0.2150 0.3566 0.0339 0.1082 0.4407 0.3742
0.76 0.44 0.43 0.42 0.45 0.43 0.85 0.66 0.77 0.79 0.63 0.80 0.91 0.89 0.82 0.92 2.22 2.33 1.81
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
NES
NU-87 REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
(SissOrss).20H20 Pl 21/c 1 (No. 14) unique axis b, cell choice 1 a = 14.324 A b = 22.376 A c = 25.092 A a = 90” p = 151.515” y = 90” X-ray Rietveld refinement, Rexp = 0.075, Rwp = 0.14,
RI = 0.065
M. D. Shannon, J. L. Casci, P. A. Cox and S. J. Andrews, Nature 353, 417-420 (1991).
Atom
X
Y
2
Sil Si2 Si3 Si4 Si5 Si6 Si7 Si8 Si9 Silo Sill Si12 Si13 Si14 Si15 Si16 Si17 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 017
0.640 0.473 0.028 0.228 0.226 0.412 0.421 0.666 0.654 0.606 0.604 0.456 0.451 0.035 0.038 0.033 0.031 0.242 0.550 0.870 0.242 0.588 0.553 0.579 0.533 0.002 -0.006 0.001 0.350 0.318 0.675 0.651 0.240 0.244
0.1717 0.1970 0.2218 0.0010 0.0039 0.1280 0.1200 0.1299 0.1237 0.1816 0.1838 0.1822 0.1837 0.1941 0.2969 0.2154 0.2175 0.009 0.2367 0.1734 0.194 0.133 0.141 0.168 0.159 0.2773 0.2429 0.003 0.0523 0.0626 0.0611 0.0530 0.163 0.1761
0.324 0.738 0.500 0.178 0.048 0.108 0.308 0.737 0.924 0.496 0.109 0.536 0.917 0.100 0.406 0.307 0.697 0.121 0.284 0.434 0.614 0.349 0.228 0.741 0.818 0.526 0.423 0.083 0.269 0.066 0.757 0.911 0.206 0.023
continued. . .
Zeolites
16:323-802,
1996
761
NU-87
NES . . . continued
from previous
No temperature
762
Zeolites
16:323-802,
1996
page Atom
2
018 019 020 021 022 023 024 02.5 026 027 028 029 030 031 032 033 034 Hz01 Hz02 Hz03 Hz04 Hz05
0.880 0.873 0.508 0.535 0.533 0.563 0.521 0.526 0.555 0.509 0.838 0.837 0.223 0.219 0.026 0.037 0.036 0.233 0.39 0.08 -0.03 0.01
factors
Y 0.152 0.146 0.133 0.134 0.137 0.138 0.2479 0.2499 0.163 0.167 0.178 0.180 0.176 0.176 0.2544 0.2734 0.2360 0.037 0.016 0.044 0.037 0.065
or occupancies
z 0.833 1.031 0.409 0.116 0.619 0.935 0.440 0.587 0.531 0.006 0.605 0.221 0.414 0.793 0.640 0.345 0.2480 0.568 0.917 0.268 0.313 0.61
were reported.
2-aminopentane
REFINED
COMPOSITION: CRYSTAL
DATA:
(SissOi7s).Cse
Fmmm (No. 69) a = 22.232 A b = 15.058 A cl = 90” p = 90” X-ray
REFERENCE:
Nonasil
single crystal
refinement,
c = 13.627 A y = 90” R, = 0.125
B. Marler, N. Dehnbostel, H. H. Eulert, H. Gies and F. Liebau, J. Inclusion Phenomena 4, 339-349 (1986).
Atom Sil Si2 Si3 Si4 Si5 01 02 03 04 05 06 07 08 09 010 Cl c2 c3
z 0.3745
0.2798 0.2950 0.5000 0.3173 0.3356 0.4427 0.3520 0.2702 0.3197 0.3667
0.0000 0.5000 0.2500 0.2500 0.5000
0.4659 0.0000
Y 0.1635 0.5000 0.3270 0.1051 0.5000 0.3282 0.1462 0.4050 0.4329 0.5000 0.2500 0.0000 0.1155 0.0000 0.2500 0.4489 0.3547 0.0000
z 0.3103 0.5000 0.0000 0.6156 0.2831 0.9056 0.3374 0.2525 0.0000 0.5937 0.2500 0.1392 0.5000 0.2500 0.0000 0.5700 0.5000 0.5000
&so 1.66 2.05 2.84 0.32 2.29 5.13 1.97 10.11 12.79 3.4 17.13 2.05 0.39 1.82 9.95 19.11 10.11 32.37
occ 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-802.
1996
763
OFF
Offretite
REFINED
COMPOSITION:
CRYSTAL
(KMg0.82Ca0.92)(Si1s@s).9.84H20 Mt’. Simiouse, France.
PEm2 (No. 187) a = 13.291 A b = 13.291 A
DATA:
a = 90” p = 90” X-ray single crystal refinement, REFERENCE:
J. A. Gard and J. M. Tait, Acta Cryst. B28, 825-834 (1972).
Atom
764
Zeolites
16:323-602,
1996
c = 7.582 ii y = 120” R = 0.11
Y
X
K
0.0
0.0
Mg Cal Ca2 Sil Si2 01 02 03 04 05 06 H201 Hz02 Hz03 Hz04 Hz05 H*06 Hz07
0.33333 0.66667 0.0 0.0027 0.0930 0.029 0.101 0.255 0.012 0.230 0.075 0.33333 0.243 0.16 0.485 0.562 0.53 0.66667
0.66667 0.33333 0.0 0.2342 0.4251 0.351 0.202 0.127 0.267 0.460 0.537 0.66667 0.486 0.52 0.242 0.438 0.35 0.33333
2
Biso
OCC
0.5 0.0 0.377 0.13 0.2085 0.5 0.329 0.257 0.293 0.0 0.5 0.5 0.261 0.0 0.0 0.5 0.172 0.0 0.24
2.2 1.8 3.3 4.0 0.88 0.68 2.29 2.2 3.3 1.5 1.5 2.0 1.7 1.7 2.6 4.0 4.7 3.0 1.6
1.0 0.82 0.39 0.07 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.90 0.34 0.14 0.58 0.47 0.17 0.30
-PAR
Partheite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
Cas(SireAli60ee(OH)s)‘16H20 Taurus Mountains, Turkey. Cl 2/c 1 (No. 15) unique axis b, cell choice 1 a = 21.555 A b = 8.761 A c = 9.304 A a = 90” p = 91.55” y = 90” X-ray single crystal refinement, R = 0.07 N. Engel and K. Yvon, Z. Kristallogr. 169, 165-175
Atom
X
Y
Ca Sil Si2 All Al2 01 02 03 04 05 06 07 08 OH H201 H202
0.35586 0.06729 0.23983 0.1161 0.1999 0.0695 0.0725 0.1222 0.1722 0.2081 0.2345 0.2340 0.0 0.3523 0.0712 0.4541
0.1991 0.1832 0.0077 0.0844 0.3162 0.0181 0.1719 0.2883 0.0363 0.4669 0.1550 0.3599 0.2632 0.2673 0.5050 0.3070
(1984).
0.0444 0.2896 0.4621 0.6006 0.2858 0.2162 0.4626 0.2295 0.0250 0.4096 0.3605 0.1221 0.2500 0.2918 0.0159 0.0800
Biso
OCC
0.93 0.53 0.46 0.56 0.51 0.73 0.84 0.89 0.86 0.71 0.84 0.76 0.63 1.11 2.62 1.72
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-802,
1996
765
PAU
Paulingite
REFINED
COMPOSITION:
CRYSTAL
(Na 9 68 K, 50 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Rock Island Dam. Washington, U.S.A.
DATA:
REFERENCE:
I&m (No. 229) a = 35.093 A b = 35.093 A /J = 90” cl = 90” X-ray single crystal refinement,
c = 35.093 A y = 90” R = 0.14
E. K. Gordon. S. Samson and W. B. Kamb, Science 154, 1004.-1007 (1966).
Atom Nal Na2 Na3 Kl K2 K3 Cal Ca2 Ca3 Bal Ba2 Ba3 Sil Si2 Si3 Si4 Si5 Si6 Si7 Si8 All Al2 Al3 Al4 Al5 Al6 Al7 Al8 01 02 03 04 05 06
“.
rl
0.1788 0.2543 0.3975 0.1788 0.2543 0.3975 0.1788 0.2543 0.3975 0.1788 0.2543 0.3975 0.3137 0.4021 0.3132 0.4558 0.4019 0.3126 0.2592 0.1708 0.3137 0.4021 0.3132 0.4558 0.4019 0.3126 0.2592 0.1708 0.1635 0.2679 0.3041 0.4092 0.4484 0.4489
Y 0.1788 0.2543 0.3975 0.1788 0.2543 0.3975 0.1788 0.2543 0.3975 0.1788 0.2543 0.3975 0.25 0.25 0.2498 0.1072 0.1782 0.1785 0.1073 0.1076 0.25 0.25 0.2498 0.1072 0.1782 0.1785 0.1073 0.1076 0.0933 0.0968 0.1886 0.1900 0.0952 0.3794
z
&so
occ
0.1788 0.0 0.1445 0.1788 0.0 0.1445 0.1788 0.0 0.1445 0.1788 0.0 0.1445 0.1863 0.0979 0.0979 0.0443 0.0448 0.0446 0.0445 0.0441 0.1863 0.0979 0.0979 0.0443 0.0448 0.0446 0.0445 0.0441 0.0 0.0 0.0 0.0 0.0 0.0
2.4 3.0 5.5 2.4 3.0 5.5 2.4 3.0 5.5 2.4 3.0 5.5 0.47 0.46 0.48 0.54 0.45 0.40 0.36 0.44 0.47 0.46 0.48 0.54 0.45 0.40 0.36 0.44 1.4 1.3 1.4 1.8 1.6 1.8
0.11 0.11 0.11 0.574 0.574 0.574 0.304 0.304 0.304 0.012 0.012 0.012 0.774 0.774 0.774 0.774 0.774 0.774 0.774 0.774 0.226 0.226 0.226 0.226 0.226 0.226 0.226 0.226 1.0 1.0 1.0 1.0 1.0 1.0
contin rued. . . 766
Zeolites
16:323-802,
1996
Paulingite . . . continued
from previous
Atom 07 08 09 010 011 012 013 014 015 016 017 018 019 020 Hz01 Hz02 Hz03 Hz04 Hz05
H2O6 Hz07
Hz08 Hz09 Hz010 Hz011 Hz012 H&13 &old
page 2
Y
z
0.0713 0.4308 0.1437 0.2860 0.2868 0.4299 0.2152 0.2870 0.3573 0.4278 0.3002 0.4148 0.3576 0.3080 0.140 0.217 0.209 0.348 0.350 0.220 0.139 0.334 0.422 0.292 0.367 0.178 0.270 0.458
0.0713 0.4308 0.1437 0.2860 0.2868 0.4299 0.1211 0.1414 0.1672 0.1417 0.2163 0.2142 0.2623 0.2351 0.140 0.217 0.209 0.348 0.350 0.220 0.139 0.275 0.285 0.5 0.367 0.0 0.0 0.0
0.1610 0.2322 0.0545 0.1965 0.0890 0.0548 0.0496 0.0582 0.0525 0.0573 0.0693 0.0710 0.0909 0.1419 0.140 0.217 0.053 0.200 0.082 0.140 0.217 0.0 0.0 0.0 0.0 0.0 0.0 0.0
I& 1.4 1.9 1.5 1.6 1.7 2.0 1.2 1.8 1.5 2.3 1.9 1.9 1.6 1.5 5.7 4.2 6.2 5.5 11.5 15.0 15.0 15.0 15.0 15.0 15.0 15.0 15.0 15.0
OCC
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-802,
1996
767
Phillipsite
REFINED
COMPOSITION:
CRYSTAL
(K~Ca~.6~s)(Si~~.~A1~.~0~~).12H~O Casal Brunori, Rome, Italy.
DATA:
REFERENCE:
768
Zeolites
16:323-802,
Pl 21/m 1 (No. 11) unique axis b = 14.300 A a = 9.865 A ck = 90” p = 124.20” X-ray single crystal refinement,
b c = 8.668 A y = 90” R, = 0.057
R. Rinaldi, J. J. Pluth and J. V. Smith, Acta Cryst. B30, 2426--2433 (1974).
1996
Atom
z
Y
2
&so
occ
K Ca Sil Si2 Si3 Si4 All Al2 Al3 Al4 01 02 03 04 05 06 07 08 09 Hz01 Hz02 H&? Hz04 H205
0.8480 0.6080 0.7362 0.4206 0.0604 0.1204 0.7362 0.4206 0.0604 0.1204 0.1335 0.6445 0.6100 0.0254 0.8957 0.3022 0.7872 0.5814 0.0665 0.7551 0.1552 0.3208 0.5085 0.5
0.2500 0.6262 0.0248 0.1409 0.0078 0.1396 0.0248 0.1409 0.0078 0.1396 0.0976 0.5766 0.1130 0.9154 0.0440 0.3738 0.4795 0.7500 0.2500 0.7500 0.7500 0.8525 0.2500 0.5
0.2076 0.4401 0.2805 0.0019 0.2844 0.0421 0.2805 0.0019 0.2844 0.0421 0.2289 0.1878 0.1728 0.1494 0.2713 0.0783 0.4982 0.0616 0.0196 0.4733 0.4382 0.1740 0.4384 0.5
2.4 2.14 1.08 1.06 1.11 1.14 1.08 1.06 1.11 1.14 2.04 1.94 1.89 1.85 2.06 2.32 1.9 1.94 2.12 7.8 7.3 8.8 18.7 16.6
1.0 0.412 0.669 0.669 0.669 0.669 0.331 0.331 0.331 0.331 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
PHI
Harmotome
REFINED
COMPOSITION:
CRYSTAL
DATA:
(Ba#aa,s)(SirzA140a2).12H20 Andreasberg, Hartz, Germany. Pl 21/m 1 (No.
11) unique axis b b = 14.139 A c = 8.693 A a = 90” j3 = 124.81” y = 90” X-ray single crystal refinement, R, = 0.039
a = 9.879 A
REFERENCE:
R. Rinaldi, J. J. Pluth and J. V. Smith, Acta Cryst. B30, 2426-2433 (1974).
Atom
X
Y
z
Ba Ca Sil Si2 Si3 Si4 All Al2 Al3 Al4 01 02 03 04 05 06 07 08 09 H201 Hz02 Hz03 Hz04 Ha05
0.86290
0.25 0.6286 0.0248 0.1410 0.0075 0.1390 0.0248 0.1410 0.0075 0.1390 0.0896 0.5726 0.1186 0.9083 0.0515 0.3709 0.4856 0.75 0.25 0.75 0.75 0.8628 0.75 0.5
0.19441
1.79
0.4799
0.
0.2840 0.0136 0.2898 0.0375 0.2840 0.0136 0.2898 0.0375 0.1958 0.1679 0.1792 0.1711 0.2955 0.1017 0.4976 0.0573 0.0256 0.4889 0.4593 0.1324 0.5134 0.5
0.82 0.77 0.78 0.85 0.82 0.77 0.78 0.85 2.45 1.80 1.58 2.05 1.47 1.84 1.68 1.76 1.99 5.5 4.8 5.8 47. 35.
0.5869 0.7367 0.4214 0.0577 0.1216 0.7367 0.4214 0.0577 0.1216 0.1042 0.6470 0.6163 0.0050 0.9057 0.3137 0.7808 0.5885 0.0661 0.8004 0.1148 0.3027 0.4611 0.5
@so
occ
1.0 0.15 0.75 0.75 0.75 0.75 0.25 0.25 0.25 0.25 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-602,
1996
769
RHO
Hydrated
REFINED
COMPOSITION:
CRYSTAL
(Naz.ssCs Synthetic
DATA:
REFERENCE:
770
Zeolites
16:323-802,
rho
3.12)(Si35.95A112.050gs)~73.27B20 material.
Imsm (No. 229) a = 15.031 A b = 15.031 A et! = 90” p = 90” X-ray Rietveld refinement, R,,
c = 15.031 A y = 90” = 0.18, RF = 0.134
L. B. McCusker and Ch. Baerlocher, In Proc. 6th International Zeolite Conf., Ed by D. H. Olson and A. Bisio, Butterworths: Guildford, Surrey; pp. 812-822
1996
Atom
J:
Na CS Si Al 01 02 Hz01 Hz02 Hz03 H&hi Hz05
0.2768 0.0 0.25 0.25 0.2107 0.1652 0.0749 0.0542 0.0636 0.0 0.0
Y 0.2768 0.0 0.1042 0.1042 0.0 0.1652 0.2096 0.0542 0.1180 0.0 0.0
2
&so
occ
0.2768 0.3554 0.3958 0.3958 0.3834 0.3654 0.2096 0.2756 0.1735 0.4295 0.0
6.3 0.3 3.2 3.2 5.6 5.6 5.5 15.0 15.0 15.0 15.0
0.180 0.260 0.749 0.251 1.0 1.0 0.204 0.504 0.305 0.717 0.70
(1984).
RHO
Pahasapaite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
(Lill.sNq. 192K1,2Ca5,5)(Be2sP24096).38H20 Custer, S. Dakota, U.S.A. 123 (No. 197) a = 13.781 A b = 13.781 A a = 90” p = 90” X-ray single crystal refinement,
c = 13.781 A y = 90” R, = 0.035
R. C. Rouse, D. R. Peacor and S. Merlino, Am. Mineral. 74, 1195-1202 (1989).
Atom
X
Li Li Na K Ca Be P 01 02 03 04 Hz01 Hz02 Hz03 Hz04
0.3615 0.3013 0.3615 0.3615 0.3615 0.4207 0.2771 0.2246 0.3781 0.3791 0.2160 0.3851 0.4768 0.2171 0.2459
Y 0.0357 0.3013 0.0357 0.0357 0.0357 0.1210 0.1240 0.2178 0.1245 0.0329 0.0383 0.3851 0.0 0.1095 0.0765
z
&so
occ
0.0301 0.3013 0.0301 0.0301 0.0301 0.2675 0.4224 0.3914 0.3766 0.2041 0.3889 0.3851 0.0 0.0714 0.0504
3.66 1.89 3.66 3.66 3.66 0.76 0.71 0.95 1.16 1.18 1.16 3.08 1.68 4.0 6.58
0.15 1.0 0.008 0.05 0.229 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.5 0.5 0.5
Zeolites
16:323-802,
1996
771
RHO
Deuterated
REFINED
COMPOSITION: CRYSTAL
berylloarsenate
Rb24(Be24As24096).3.6DzO
DATA:
I23 (No. 197) a = 14.001 A b = 14.001 A c = 14.001 A Q = 90” p = 90” y = 90” Combined X-ray and neutron Rietveld refinement, neutron R,, = 0.041. X-ray R,, = 0.145
REFERENCE:
J. B. Parke, D. R. Corbin, T. E. Gier, R. L. Harlow, R. B. Von Dreele, Zeolites 12, 360-368 (1992). And J. B. Parke, Private Communication (1994).
Atom Rbl Rb2 Rb3 Rb4 Be As 01 02 03 04 DzOl Dp02 &@3
772
Zeolites
16:323-802,
1996
Y
J:
0.5 0.1903 0.3716 0.244 0.2173 0.27446 0.2296 0.3882 0.2852 0.2094 0.244 0.066 0.441
0.0
0.0
0.1903 0.3716 0.0 0.9311 0.12749 0.2349 0.1265 0.1055 0.0467 0.0 0.066 0.441
0.1903 0.3716 0.0 0.3717 0.42737 0.3988 0.3899 0.5429 0.3679 0.0 0.066 0.441
Biso
occ
4.89 7.74 7.74 7.74 4.34 0.79 1.5 0.95 4.42 1.34 4.74 4.74 4.74
1.0 1.0 0.875 0.25 1.0 1.0 1.0 1.0 1.0 1.0 0.10 0.23 0.07
L. Abrams
and
-RON
Roggianite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
Ca~s(Bes(OH)~sSi3~A1~s0~0~).18.72H~0 Pizzo Marcia, Val Vigezzo, Italy. I4/mcm (No. 140) a = 18.33 A b = 18.33 8, Q: = 90” p = 90” X-ray single crystal refinement,
c = 9.16 A y = 90” Robs = 0.034
G. Giuseppetti, F. Mazzi, C. Tadini and E. Galli, Neues Jahrb. Mineral. Monatsh. 7, 307-314 (1991).
Atom
X
Y
z
&so
occ
Ca $1 Si2 Be Al 01 02 03 04 05 06 H Hz01 Hz02 Hz03
0.1769 0.1044 0.1159 0.2619 0.2177 0.1353 0.1641 0.0579 0.0451 0.1725 0.2935 0.324 0.409 0.375 0.445
0.1769 0.2810 0.0408 0.2381 0.0000 0.3647 0.0579 0.2673 0.0936 0.2246 0.2065 0.176 0.091 0.079 0.055
0.25 0.0 0.0 0.0000 0.25 0.0000 0.1457 0.1461 0.0000 0.0 0.1512 0.145 0.154 0.0 0.264
1.34 0.95 0.79 1.42 0.87 1.26 1.26 1.74 1.66 1.18 1.34 2.37 11.05 10.26 17.37
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.49 0.27 0.41
Zeolites
16:323-802,
1996
773
RSN
RUB-17
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
(NalzKq)(Si28Zn8072).20.7HzO Clml
(No. 8) unique axis b, cell choice 1 c = 7.308 A a = 7.238 A b = 40.56 A a = 90” ,i3 = 91.8” y = 90” X-ray Rietveld refinement, Rexp = 0.238, R,, C. RGhrig and H. Gies, Angew. Chem. Int. Ed. Engl.
Atom Nal Na2 Na3 Na4 K Sil Si2 Si3 Si4 Si5 Si6 Si7 Znl Zn2 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 017 018 019 H201 Hz02 Hz03 Hz04 Hz05
774
Zeolites
16:323-602,
1996
X
-0.141 -0.164 -0.002 0.05 0.063 0.317 0.299 0.572 -0.195 0.755 0.038 0.467 0.0 0.7484 0.377 0.317 0.111 0.467 0.365 0.086 0.433 0.7478 -0.002 0.626 -0.203 0.784 0.737 -0.079 0.561 -0.029 0.521 0.247 0.023 -0.1 0.257 0.299 0.21 0.746
Y 0.0 0.0 0.2469 0.1309 0.3865 0.0382 0.0379 0.0671 0.1277 0.1991 0.2185 0.2105 0.0605 0.1832 0.0 0.052 0.0427 0.0603 0.0 0.042 0.0609 0.043 0.1084 0.1058 0.1599 0.1378 0.2124 0.2182 0.2066 0.1919 0.1815 0.2091 0.2549 0.0753 0.2093 0.1398 0.1324 0.0
34, 63-65 (1995).
Biso
0.;24 0.795 0.84 0.574 0.442 0.308 0.72 0.017 -0.024 0.096 0.397 0.388 0.0 0.6786 0.298 0.515 0.224 0.205 0.735 0.773 0.844 0.004 0.01 0.022 0.106 0.762 0.888 0.204 0.192 0.544 0.53 0.346 0.485 0.501 0.898 0.775 0.293 0.487
= 0.164, RI = 0.090
occ
1.97 1.0 1.97 1.0 1.97 1.0 1.97 1.0 1.97 1.0 0.79 1.0 0.79 1.0 0.79 1.0 0.79 1.0 0.79 1.0 0.79 1.0 0.79 1.0 0.79 1.0 0.79 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 4.74 1.15 4.74 1.15 4.74 1.15 4.74 1.15 4.74 1.15
RUB-3
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
RTE
SiOa framework
Si2404s Cl 2/m 1 (No. 12) unique axis b, cell choice 1 a = 14.039 A b = 13.602 A c = 7.428 A a! = 90” p = 102.22” y = 90” X-ray Rietveld refinement, Rex,, = 0.152, R,, = 0.139, RF = 0.092 B. Marler, A. Griinewald-Luke Zeolites 15, 388-399 (1995).
Atom Sil Si2 Si3 01 02 03 04 05 06 07 08
X
0.10276 0.23364 0.11292 0.0 0.0994 0.18747 0.12441 0.26563 0.32712 0.15422 0.0
Y 0.11212 0.11175 0.21938 0.1419 0.0 0.12661 0.17997 0.0 0.18095 0.13944 0.23919
and H. Gies,
Z
-0.04452 0.35042 0.58774 0.0 -0.10716 0.13589 -0.20622 0.38796 0.41035 0.46724 0.5
Zeolites
16:323-802,
1996
776
RTH
RUB-13
REFINED
COMPOSITION: CRYSTAL
Si31064
DATA:
REFERENCE:
S. Vortmann, Microporous
Atom Sil Si2 Si3 Si4 01 02 03 04 05 06 07 08 09 010
776
Zeolites
16:323-802,
Cl 2/m 1 (No. 12) unique axis b, cell choice I a = 9.659 A b = 20.461 8, c = 9.831 A a! = 90” /!I = 96.58” y = 90” X-ray single crystal refinement, R = 0.06
1996
2’:
-0.00071 0.40984 0.25048 0.15487 0.0 0.0 0.151 0.16628 0.25098 0.31018 -0.11737 0.42048 -0.03047 0.5
B. Marler, H. Gies and P. Daniels, Materials 4, 111-121 (1995).
:Y 0.32074 0.07574 0.26603 0.15272 0.34053 0.12655 0.29265 0.21447 0.09473 0.32663 0.26658 0.0 0.38601 0.09471
z
&so
occ
0.34243 0.12008 0.21513 0.01508 0.5 0.5 0.3211 0.11538 0.07707 0.12877 0.30066 0.15383 0.25539 0.0
0.96
0.969 0.969 0.969 0.969 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
1.21 1.37 1.69 1.76 1.94 2.07 2.59 2.22 2.43 2.6 2.3 2.53 2.68
RUB-10
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
RUT
SiO, framework
Si36072 Pl 21/a 1 (No. 14) unique axis a = 13.112 A b = 12.903 A p = 113.50° a = 90” DLS refinement. H. Gies and J. Rius, Z. Kristallogr. 210, 475-480
Atom Sil Si2 Si3 Si4 Si5 Si6 Si7 Si8 Si9 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 017 018
b, cell choice 3 c = 12.407 A y = 90”
(1995).
X
Y
z
0.3003 0.2975 0.0627 0.9222 0.0007 0.2992 0.2864 0.0468 0.9254 0.1789 0.3410 0.3869 0.2960 0.1930 0.3934 0.3082 0.0446 0.0011 0.0111 0.9756 0.8142 0.1123 0.9967 0.2787 0.3906 0.1721 0.9673
0.1257 0.1210 0.1268 0.1899 0.2581 0.8890 0.8847 0.8885 0.8006 0.1393 0.0078 0.1999 0.1544 0.1528 0.1688 0.0070 0.0110 0.2062 0.1359 0.2048 0.1180 0.3247 0.1694 0.8539 0.8156 0.8541 0.8607
0.1207 0.3594 0.3183 0.0622 0.4892 0.1088 0.3504 0.3340 0.0773 0.0177 0.1248 0.0963 0.2447 0.3686 0.4555 0.3699 0.3542 0.3720 0.1779 0.9673 0.0063 0.5507 0.5780 0.2222 0.0936 0.3608 0.2007
Zeolites
16:323402,
1996
777
SGT
1-aminoadamantane
REFINED
COMPOSITION: CRYSTAL
(Si64012s).C*s.8*
DATA:
REFERENCE:
14 1/ amd (No. 141) origin at centre (2/m) a = 10.2387 I$ b = 10.2387 k c = 34.3829 A p = 90” y = 9o” a = 90” X-ray Rietveld refinement, R,, = 0.225, RF = 0.100 L. B. McCusker, J. Appl. Cryst.
Atom Sil Si2 Si3 Si4 01 02 03 04 05 06 07 Cl c2 c3 c4 c5 C6
778
Zeolites
16:323-602,
sigma-2
1996
s 0.2843 0.2811 0.1539 0.1510 0.0000 0.2165 0.2297 0.1689 0.0000 0.1913 0.3729 0.124 0.000 0.000 0.000 0.115 0.000
21, 305-310
Y 0.2500 0.0000 0.2500 0.2500 0.2500 0.1201 0.2500 0.2500 0.2500 0.1219 0.1229 -0.126 -0.250 -0.126 -0.003 -0.151 -0.077
(1988).
z 0.1182 0.0000 0.0349 0.1954 0.2072 0.2131 0.0754 0.1493 0.043 0.010 0.125 0.125 0.073 0.099 0.103 0.086 0.145
Biso
0.08 0.16 0.08 0.24 1.03 1.03 0.32 0.55 1.5 0.63 1.66 7.9 7.9 7.9 7.9 7.9 7.9
OCC 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.3 0.3 0.3 0.46 0.53 0.47
Sodalite
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
SOD
octahydrate
Na6(Si6A16024).8H20 PZ3n (No. 218) a = 8.848 A b = 8.848 A o! = 90” p = 90” X-ray Rietveld refinement, R,,
c = 8.848 A y = 90” = 0.091, RF = 0.047
J. Felsche, S. Luger and Ch. Baerlocher, Zeolites 6, 367-372 (1986).
Atom Na Si Al 0 J320
z 0.1504 0.25 0.25 0.1366 0.3753
Y 0.1504 0.0 0.5 0.4338 0.3753
25 0.1504 0.5 0.0 0.1490 0.3753
Biso
OCC
3.71 0.79 1.18 1.5 3.08
0.75 1.0 1.0 1.0 1.0
Zeolites
16:323-602,
1996
779
SOD
Bicchulite
REFINED
COMPOSITION:
CRYSTAL
Cas(Si4Als024).8HzO Synthetic material.
DATA:
133m (No. 217) a = 8.825 A b = 8.825 ii cl = 90” p = 90” X-ray single crystal refinement,
REFERENCE:
K. Sahl, Z. Kristallogr.
Atom Ca Si Al 0 OH H
780
Zeolites16:323-802.1996
.c 0.1434 0.25 0.25 0.1407 0.3845 0.328
c = 8.825 A y = 90” R, = 0.012
152, 13-21 (1980).
?I 0.1434 0.5 0.5 0.1407 0.3845 0.328
z 0.1434 0.0 0.0 0.4220 0.3845 0.328
&so 0.75 0.49 0.49 0.94 0.93 0.0
OCC
1.0 0.3333 0.6667 1.0 1.0 1.0
SOD
Tugtupite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
(NasClz)(SisAlzBezO24) Ilimaussaq, Narssaq
Kommune,
Ia (No. 82) a = 8.640 A b = 8.640 A cl! = 90” ,I3 = 90” X-ray single crystal refinement, I. Hassan Canadian
Atom Na Cl Si Al Be 01 02 03
South Greenland.
c = 8.873 A y = 90” R, = 0.030
and H. D. Grundy, Mineralogist 29, 385-390
2
0.1563 0.0 0.0127 0.0 0.0 0.1504 0.3472 0.4256
(1991).
Y
z
Biso
OCC
0.1972 0.0 0.2533 0.5 0.5 0.1343 0.0385 0.1486
0.1818 0.0 0.4958 0.75 0.25 0.4417 0.6488 0.1377
1.48 1.85 0.58 0.6 0.77 0.97 0.94 0.95
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-802,
1996
781
STI REFINED
COMPOSITION:
CRYSTAL
(Nal,7sCa4)(Si25,68Al~~,~~O~~).29,4H20 Iceland.
DATA:
Cl 2/m 1 (No.
12) unique axis b, cell choice 1 b = 18.24 A c = 11.27 A ck = 90” p = 128.0” y = 90” X-ray single crystal refinement, R = 0.123
a = 13.64 A
REFERENCE:
782
Zeolites
16:323-802,
1996
E. Galli, Acta Cry&.
Atom
x
Na Ca Sil Si2 Si3 Si4 Si5 All Al2 Al3 Al5 01 02 03 04 05 06 07 08 09 010 Hz01 H202 Hz03 Hz04 Hz05 H2O6
0.5055 0.2805 0.4830 0.2653 0.1892 0.1124 0.0 0.4830 0.2653 0.1892 0.0 0.4645 0.1164 0.0512 0.0638 0.2935 0.3001 0.3406 0.3157 0.1863 0.0 0.1347 0.3306 0.3691 0.5124 0.4028 0.1712
B27, 833-841 (1971).
Y 0.0659 0.0
z 0.0392 0.0949
0.3042 0.2420 0.3097 0.2619 0.0893 0.4846 0.3166 0.5013 0.2610 0.0 0.3042 0.2420 0.3097 0.2619 0.0893 0.4846 0.2610 0.0 0.2911 0.0842 0.3162 0.1189 0.2661 0.3516 0.1199 0.3226 0.2308 0.3453 0.3796 0.3714 0.3162 0.1914 0.1119 0.5024 0.0 0.4876 0.3509 0.5 0.0776 0.1067 0.1258 0.1013 0.3549 0.0 0.0 0.2416 0.5 0.1632 0.1040 0.5
&so 4.28 2.15 0.46 0.33 0.40 0.43 0.42 0.46 0.33 0.40 0.42 1.40 1.38 2.03 1.41 2.01 1.76 1.40 1.78 1.75 1.15 7.45 4.71 3.58 9.98 4.72 10.16
occ 0.22 1.0 0.5 0.73 0.73 1.0 0.5 0.5 0.27 0.27 0.5 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.84 0.91 0.85 1.0 1.0 1.0
STI
Stellerite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
Cilg(Si~6A1~60144).55.52H20 Villanova-Monteleone, Sardinia,
Italy.
Fmmm (No. 69) a. = 13.599 fi b = 18.222 A a = 90” p = 90” X-ray single crystal refinement,
c = 17.863 A y = 9o” R, = 0.082
*E. Galli and A. Alberti, Bull. Sot. Fr. Minkal.
Atom
X
Ca Sil Si3 Si4 Si5 All Al3 Al4 Al5 01 03 04 07 08 09 010 H201 Hz02 Hz03 Hz04 Hz05 Hz06 H&7
0.5 0.3857 0.3013 0.3883 0.25 0.3857 0.3013 0.3883 0.25 0.3175 0.3721 0.3577 0.5 0.3135 0.3100 0.5 0.395 0.5 0.459 0.376 0.459 0.368 0.321
Crystallogr.
98, 11-18 (1975).
Y
z
Biso
occ
0.0 0.3072 0.4112 0.1833 0.25 0.3072 0.4112 0.1833 0.25 0.3046 0.2321 0.3802 0.3141 0.1129 0.5 0.1495 0.098 0.128 0.0 0.0 0.5 0.5 0.056
0.2910 0.3769 0.5 0.5 0.25 0.3769 0.5 0.5 0.25 0.3018 0.4251 0.4239 0.3493 0.5 0.5 0.5 0.313 0.303 0.423 0.390 0.339 0.312 0.288
3.23 0.78 0.85 0.83 1.04 0.78 0.85 0.83 1.04 2.46 3.07 2.87 2.1 2.37 2.44 2.13 4.9 7.8 3.3 13.0 4.5 10.8 9.1
1.0 0.778 0.778 0.778 0.778 0.222 0.222 0.222 0.222 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.2 0.8 0.37 0.45 0.43 0.62 0.2
Zeolites
16:323-802,
1996
783
STI
Barrerite
REFINED
COMPOSITION:
CRYSTAL
(Nag,sl~K1,g1~Mg~.~~~Ca~,~~)(Si~~,~sAl~~,~~O~~~)~58.56H~O Capo Pula, Sardinia, Italy.
DATA:
Amma (No. 63) cab setting a = 13.643 A b = 18.200 A ck = 90” p = 90” X-ray single crystal refinement,
REFERENCE:
E. Galli and A. Alberti, Bull. Sot. Fr. Mirkral.
Atom
x
Nal Nall Na2 Na21 Na3 Kl Kll K2 K21 K3 Mgl Mgll Mg21
0.25 0.25 0.0482 0.0369 0.1611 0.25 0.25 0.0482 0.0369 0.1611 0.25 0.25 0.0369 0.1611 0.25 0.25 0.0482 0.0369 0.1611 0.1356 0.1363 0.0512 0.1386 0.0 0.1356 0.1363 0.0512 0.1386 0.0 0.0699 0.0664 0.1195 0.1247 0.1062
Mg3 Cal Call Ca2 Ca21 Ca3 Sil Si2 Si3 Si4 Si5 All Al2 Al3 Al4 Al5 01 011 03 031 04
?4 0.0 0.0 0.0624 0.0634 0.0 0.0 0.0 0.0624 0.0634 0.0 0.0 0.0 0.0634 0.0 0.0 0.0 0.0624 0.0634 0.0 0.3037 0.3122 0.4110 0.1846 0.2399 0.3037 0.3122 0.4110 0.1846 0.2399 0.2937 0.3136 0.2338 0.2331 0.3806
c = 17.842 ii y = 90” R, = 0.067
Crystallogr.,
z 0.0417 0.4558 0.0446 0.4792 0.2386 0.0417 0.4558 0.0446 0.4792 0.2386 0.0417 0.4558 0.4792 0.2386 0.0417 0.4558 0.0446 0.4792 0.2386 0.1245 0.3724 0.2433 0.2541 0.0 0.1245 0.3724 0.2433 0.2541 0.0 0.0495 0.4475 0.1806 0.3299 0.1677
&so 10.05 3.82 12.98 18.26 15.68 10.05 3.82 12.98 18.26 15.68 10.05 3.82 18.26 15.68 10.05 3.82 12.98 18.26 15.68 1.19 1.21 1.21 1.05 1.40 1.19 1.21 1.21 1.05 1.40 2.86 2.73 2.95 2.32 3.13
continued. 784
Zeolites
16:323-802,
1996
98, 331-340
..
occ 0.521 0.442 0.101 0.181 0.181 0.102 0.086 0.02 0.035 0.035 0.001 0.001 0.001 0.001 0.08 0.068 0.016 0.028 0.028 0.772 0.772 0.772 0.772 0.772 0.228 0.228 0.228 0.228 0.228 1.0 1.0 1.0 1.0 1.0
(1975).
STI
Barrerite . . . continued
from previous Atom
041 07 071 08 09 010 Hz01 H2011 Hz02 H2021 Hz03 &@31 Hz04
Hz041 Hz05 Hz051
Hz06 Hz061 Hz08 Hz081
page 2
Y
z
&so
occ
0.1060 0.25 0.25 0.0656 0.0546 0.25 0.1911 0.0894 0.25 0.25 0.1750 0.2177 0.0915 0.1479 0.2174 0.1966 0.1251 0.0814 0.25 0.25
0.3810 0.3104 0.3219 0.1142 0.5 0.1508 0.1160 0.0824 0.1259 0.1313 0.0 0.0 0.0 0.0 0.5 0.5 0.5 0.5 0.5 0.5
0.3188 0.0971 0.4007 0.2550 0.2435 0.2540 0.0519 0.4356 0.0557 0.4421 0.1764 0.3221 0.1217 0.3869 0.0917 0.4154 0.0607 0.4349 0.1615 0.3615
3.01 2.76 2.21 2.54 2.79 2.13 10.3 8.1 2.3 9.3 7.4 6.0 13.7 14.2 2.9 8.0 8.1 11.4 19.9 1.2
1.0 1.0 1.0 1.0 1.0 1.0 0.49 0.41 0.32 0.91 0.38 0.46 0.50 0.50 0.20 0.42 0.83 0.50 0.50 0.50
Zeolites
16:323-802,
1996
785
THO
Thomsonite
REFINED
(NaJCa 11.2Sro.8)(Si2oA120080).24H20 Death Valley, California, U.S.A.
COMPOSITION:
CRYSTAL
Pncn (No. 52) bca setting a = 13.088 A b = 13.052 A c = 13.229 A cl! = 90” p = 90” y = 90” Neutron single crystal refinement: RF2 = 0.048
DATA:
J. J. Pluth, J. V. Smith and A. Kvick, Zeolites 5, 74-80 (1985).
REFERENCE:
Atom Na Cal Ca2 Sr Sil Si2 Si3 All Al2 Al3 01 02 03 04 05 06 07 08 09 010 020 021 022 023 Hl H2 H3 H4 H5 H6
786
Zeolites
16:323-802,
1996
2
0.0582 0.0582 0.49939 0.49939 0.25 0.11291 0.3082 0.25 0.11939 0.30947 0.16863 0.15818 0.31248 0.31152 0.00216 0.1838 0.19038 0.10438 0.11829 0.35586 0.12597 0.39173 0.0 0.0 0.15914 0.15747 0.37012 0.37158 0.04695 0.05008
?I 0.50360 0.50360 0.47837 0.47837 0.25 0.69558 0.38501 0.75 0.30543 0.62405 0.31051 0.69179 0.33136 0.65725 0.63793 0.6298 0.38476 0.81313 0.18031 0.49928 0.50192 0.49760 0.64972 0.34436 0.43727 0.55922 0.43800 0.55535 0.69037 0.30291
t
I?&
OCC
0.36141 0.36141 0.49952 0.49952 0.6885 0.50065 0.37805 0.69049 0.49655 0.38045 0.61839 0.61444 0.75655 0.76318 0.50143 0.42414 0.41668 0.46106 0.45256 0.38346 0.18859 0.63937 0.75 0.75 0.66171 0.66161 0.67748 0.68126 0.71194 0.71828
1.22 1.22 1.34 1.34 0.51 0.51 0.49 0.48 0.5 0.51 0.97 0.95 0.97 0.98 0.74 1.02 1.0 0.94 1.03 0.72 2.09 2.19 2.37 2.19 2.71 2.95 3.1 3.1 3.65 4.19
0.5 0.5 0.9 0.1 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Diethylamine
REFINED
COMPOSITION: CRYSTAL
theta-l
(Silica
TON
ZSM-22)
(Si2404s).C5.1
DATA:
Cmc21 (No. 36) a = 13.859 A b = 17.420 A a = 90” B = 90” X-ray single crystal refinement,
REFERENCE:
B. Marler, Zeolites 7, 393-397
Atom Sil Si2 Si3 Si4 01 02 03 04 05 06 07 Cl c2
X 0.0000 0.0000
0.2951 0.2055 0.0923 0.0942 0.2712 0.2288 0.2705 0.0 0.0 0.5 0.5
Y 0.2737 0.3768 0.0482 0.2112 0.4268 0.2224 0.3789 0.4800 0.2584 0.3062 0.3450 0.5195 0.5124
c = 5.038 A y = 90”
R, = 0.056
(1987).
z
Biso
occ
0.25 0.7465 0.2265 0.1445 0.6977 0.2068 0.6639 0.0234 0.3535 0.5441 0.0493 0.1363 0.3458
0.67 0.58 0.80 0.58 1.47 1.90 1.88 1.05 1.48 1.60 1.45 22.11 22.11
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.575 0.7
Zeolites
16:323-802,
1996
787
VET
VPI-8 COMPOSITION:
SiiTOsd
CRYSTAL
Pa (No. 81) 4 operators a = 13.045 A b = 13.045 A CP= 90” p = 90” X-ray Rietveld refinement, R,,
DATA:
REFERENCE:
788
Zeolites
16:323-802,
c = 5.034 fr y = 9o” = 0.125, R, = 0.102
C. C. Freyhardt, J. E. Lewis, Jr., M. M. Helmkamp, S. Khodabandeh, M. Yoshikawa, M. A. Camblor, R. F. Lobo, M. Tsapatsis, M. Pan, S. I. Zones and M. E. Davis, Personal Communication (1996).
1996
Atom
n:
Sil Si2 Si3 Si4 Si5 034 032 035 024 055 012 054 045 023
0.0000 0.1991 0.8341 0.6512 0.5182 0.7159 0.8867 0.8253 0.7243 0.5000 0.0746 0.5575 0.5998 0.9048
Y 0.0000 0.0485 0.2830 0.1468 0.12278 0.2492 0.2442 0.4062 0.0464 0.0000 0.0195 0.1441 0.1581 0.2340
z
Biso
OCC
0.5000 0.7568 0.7444 0.7630 0.2656 0.7089 0.0133 0.748 0.7842 0.243 0.7489 0.5614 0.0521 0.5175
1.03 1.03 1.03 1.03 1.03 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
VFI
VPI-5 REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
(AllRP18072).42H20 P63 (No. 173) a = 18.9752 A b = 18.9752 A c = 8.1044 A a = 90” p = 90” y = 120° X-ray Rietveld refinement, Rexp = 0.108, R,, = 0.141, RF = 0.086 L. B. McCusker, Ch. Baerlocher, E. Jahn and M. Billow, Zeolites 11, 308-313 (1991).
Atom
2
All Al2 Al3 Pl P2 P3 01 02 03 04 05 06 07 08 09 010 011 012 H201 Ha02 l&t03 H204 Hz05 H2O6 Hz07
0.385 0.474 0.654 0.550 0.311 0.507 0.470 0.431 0.322 0.430 0.540 0.619 0.512 0.378 0.474 0.311 0.575 0.739 0.339 0.290 0.314 0.248 0.193 0.319 0.100
Y -0.001 -0.173 0.169 -0.001 -0.185 0.185 0.001 0.009 -0.112 0.111 -0.074 0.072 -0.231 -0.206 -0.175 -0.168 0.195 0.236 0.005 0.002 0.130 0.055 0.045 0.189 0.053
z
Biso
OCC
0.239 0.204 0.198 0.358 0.320 0.309 0.339 0.037 0.223 0.255 0.264 0.278 0.280 0.280 -0.015 0.500 0.198 0.315 0.465 0.160 -0.028 -0.288 -0.566 -0.539 -0.534
0.24 0.24 0.24 0.79 0.79 0.79 1.5 1.5 1.5 1.5 1.5 1.5 1.5 1.5 1.5 1.5 1.5 1.5 2.13 2.13 7.11 10.03 10.03 7.11 10.03
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-802.
1996
789
VNI
VPI-9 COMPOSITION: CRYSTAL
(Rb44K4)(Si96Zn240254)
DATA:
REFERENCE:
P41212 (No. 92) 8 operators c = 73.6505 A a = 9.8837 A b = 9.8837 a ck = 90” /3 = 90” y = 90” X-ray Rietveld refinement, Rexp = 0.099: R,, = 0.147, RF = 0.069 L. B. McCusker, private communication
Atom Sil Si2 Si3 Si4 Si5 Si6 Zn7 Si8 Si9 Silo Sill Zn12 Si13 Si14 Zn15 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 017 018 019
X
-0.05560 0.12355 0.34788 0.64551 0.70956 0.91831 0.76905 0.85239 0.63992 0.35908 0.13640 0.27595 0.43977 0.21756 -0.00008 0.08204 -0.08423 -0.04109 -0.17747 0.27867 0.02165 0.11120 0.50734 0.65363 0.77309 0.76847 0.59335 0.91157 0.96658 0.64151 0.85799 0.66199 0.73381 0.68028
Y 0.14097 0.36647 0.54161 0.45059 0.22908 0.59382 0.26960 0.37616 0.15641 0.14462 0.35246 0.23519 0.36294 0.29059 0.50334 0.21588 0.17140 -0.01758 0.18145 0.39943 0.47477 0.37695 0.53146 0.37488 0.55290 0.24075 0.11791 0.61905 0.72981 0.34871 0.39098 0.14092 0.27261 0.02001
(1995).
2
Biso
OCC
0.04647 0.03339 0.04577 0.04531 0.01951 0.03688 0.07855 0.11695 0.11374 0.13017 0.13429 0.16979 0.20263 0.22953 0.24691 0.03997 0.06759 0.04349 0.03360 0.04014 0.04195 0.01106 0.04608 0.02615 0.04576 -0.00018 0.01974 0.01426 0.04654 0.06225 0.09506 0.09257 0.12267 0.12391
0.32 0.32 0.32 0.32 0.32 0.32 0.79 0.32 0.32 0.32 0.32 0.79 0.32 0.32 0.79 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
continued.
790
Zeolites
16:323-802,
1996
VNI
VPI-9 . . . continued
from previous page Atom 020 021 022 023 024 025 026 027 028 029 030 Rbl Rb2 Rb3 03 Rb4 Rb5 Rb6 K6 Rb7 K7 Rb8 08 Rb9 01
X
Y
z
&SO
occ
0.48533 0.19440 0.11787 1.97 1.0 0.23709 0.24422 0.12539 1.97 1.0 0.38915 0.14632 0.15157 1.97 1.0 0.31402 -0.00248 0.12264 1.97 1.0 0.13419 0.33967 0.15616 1.97 1.0 -0.00850 0.32063 0.12528 1.97 1.0 0.36760 0.38136 0.18320 1.97 1.0 0.20338 0.09310 0.18492 1.97 1.0 0.33256 0.36743 0.21848 1.97 1.0 0.18986 0.14876 0.21931 1.97 1.0 0.08186 0.37815 0.23040 1.97 1.0 0.00301 0.00830 0.11980 2.92 0.875 0.16907 0.36207 0.08261 2.92 0.875 0.41652 0.41652 0.00000 2.92 0.75 0.41652 0.41652 0.00000 2.92 0.25 0.07877 0.07877 0.00000 2.92 1.0 0.64934 0.84320 0.03976 2.92 0.875 0.40656 0.13336 0.04950 2.92 0.75 0.32838 0.13511 0.03545 2.92 0.25 0.83939 0.69102 0.08693 2.92 0.75 0.86257 0.61323 0.07771 2.92 0.25 0.62218 0.62218 0.00000 2.92 0.25 0.62218 0.62218 0.00000 2.92 0.75 0.53776 0.56878 0.08892 2.92 0.375 0.56914 0.90441 0.07753 2.92 1.25
Zeolites
16:323-602,
1996
791
VW
VPI-7
REFINED
COMPOSITION: CRYSTAL
Nazs.4s(Si56Zn160144).49.76H20
DATA:
REFERENCE:
Fdd2 (No. 43) a = 39.88 A b = 10.326 ii c = 10.219 A cl! = 90” p = 90” y = 90” X-ray Rietveld refinement, Rexp = 0.248, R,, = 0.162, RI = 0.100 C. Riihrig, H. Gies and B. Marler, Zeolites 14, 498-503 (1994).
Atom Nal Na2 Sil Si2 Si3 Si4 Zn 01 02 03 04 05 06 07 08 09 H201 Hz02 &to3
792
Zeolites
16:323-802,
1996
X
0.1269 0.2549 0.0 0.0718 0.0868 0.0904 0.05488 0.0087 0.0319 0.0850 0.0809 0.0572 0.0610 0.0902 0.1228 0.0836 0.0889 0.25 0.2237
Y 0.201 0.069 0.0 0.4537 0.1622 0.4481 0.1640 0.1255 0.464 0.054 0.3082 0.120 0.3481 0.488 0.142 0.081 0.299 0.75 0.627
z
Biso
OCC
0.059 0.762 0.0 0.565 0.571 0.855 0.856 0.910 0.589 0.955 0.519 0.670 0.887 0.702 0.641 0.435 0.213 0.124 0.436
1.58 1.58 1.86 1.86 1.86 1.86 1.86 0.87 0.87 0.87 0.87 0.87 0.87 0.87 0.87 0.87 5.53 5.53 5.53
0.89 0.89 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.23 1.3 1.23
WEl
Wei nebeneite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
C~Be~2(POe)s(OH)s.l6Hz0 Weinebene Pass, Koralpe,
Austria.
Clcl (No. 9) unique axis b, cell choice 1 a = 11.897 A b = 9.707 A c = 9.633 ii cy = 90” /3 = 95.76” y = 90” X-ray single crystal refinement, Rw = 0.044 F. Walter, Eur. J. Mineral.
Atom Ca Be1 Be2 Be3 Pl P2 01 02 03 04 05 06 07 08 OH9 OH10 Hz01 Hz02 Hz03 Hz041 Hz042
4 1275-1283
(1992).
2
Y
z
Biso
OCC
0.1124 -0.3006 -0.1925 0.0014 0.2785 -0.2780 -0.0939 0.2150 0.2388 0.2431 0.2853 0.2573 0.0943 0.2597 0.0638 -0.0622 -0.5254 0.4918 0.4905 0.2250 0.1950
0.0853 0.8817 0.3821 0.5184 0.0985 0.0992 0.6163 0.7795 0.9725 0.9230 0.7213 0.5836 0.6210 0.4676 0.4212 0.4263 0.6453 0.3807 0.3629 0.7474 0.7323
0.3718 0.1613 0.3460 0.2517 0.1409 0.3606 0.1650 0.6971 0.2213 0.4847 0.3029 0.5177 0.3323 0.2905 0.1442 0.3603 0.1881 0.3780 0.0437 0.0035 0.0061
1.32 0.65 0.78 0.66 0.54 0.71 0.87 0.97 0.71 0.89 1.02 0.91 1.25 0.99 1.08 1.04 1.85 2.20 2.09 2.19 1.74
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.55 0.45
Zeolites
16:323-802,
1996
793
-WEN REFINED
Wen kite
COMPOSITION:
CRYSTAL
(Nae.sKe.sCa5,~Ba3.~)(SiirA1904i).(OH)r4.S3 Candoglia. Italy.
DATA:
P82m (No. 189) n = 13.511 A b = 13.511 A a = 90” p = 90” X-ray single crystal refinement,
REFERENCE:
S. Merlino, Acta Cryst.
Atom
X
Na Kl K2 Ca Bal Ba2 S Sil Si2 Si3 All Al2 A13 01 02 03 04 05 06 07 OH7 OH8 OH9 OH10 OH11
0.4988 0.0 0.3932 0.4988 0.0 0.3932 0.5200 0.2666 0.4380 0.66667 0.2666 0.4380 0.66667 0.296 0.392 0.216 0.170 0.399 0.580 0.66667 0.66667 0.421 0.492 0.599 0.591
B30. 1262-1266
Y 0.2743 0.0 0.0 0.2743 0.0 0.0 0.5200 0.1336 0.3008 0.33333 0.1336 0.3008 0.33333 0.145 0.215 0.0 0.170 0.399 0.378 0.33333 0.33333 0.402 0.606 0.553 0.499
c = 7.462 A y = 120” R = 0.10
(1974).
2 0.0
0.5 0.5 0.0 0.5 0.5 0.0 0.2178 0.5 0.3970 0.2178 0.5 0.3970 0.0 0.317 0.294 0.275 0.5 0.5 0.170 0.170 -0.049 0.074 -0.158 0.154
@so occ 2.42 2.04 1.78 2.42 2.04 1.78 1.3 0.8 0.4 0.4 0.8 0.4 0.4 0.2 1.4 0.8 1.0 2.2 1.3 3.0 3.0 0.9 2.6 1.6 2.9
0.083 0.125 0.125 0.917 0.875 0.875 1.0 0.60 0.56 0.11 0.40 0.44 0.39 1.0 1.0 1.0 1.0 1.0 1.0 0.5 0.5 0.25 0.25 0.25 0.25
Note that S13, AL3, and the attached 07 are disordered with the individual site occupancies being only 0.5.
794
Zeolites
16:323-802,
1996
over two positions,
YUG
Yugawaralite
REFINED
COMPOSITION:
CRYSTAL
Caz( Sir2A14032). (Hi5.s20s,rse) Hvalfjordur, Iceland.
DATA:
REFERENCE:
Plcl (No. 7) unique axis b, cell choice 1 a = 6.700 ii b = 13.972 A c = 10.039 A p = 111.07” Q = 90” y = 90” Neutron single crystal refinement, R, = 0.045; At T = 13K. A. Kvick, G. Artioli and J. V. Smith, Z. Kristallogr. 174, 265-281 (1986).
Atom
2
Ca Sil Si2 Si3 Si4 Si5 Si6 All Al2 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 0100 0101 Hll H12 H13 020 H21 H22 030
0.05134 0.34121 0.71051 0.40911 0.02736 0.36039 0.74211 0.0 0.39614 0.10689 0.85591 0.19153 0.50365 0.43489 0.61915 0.84451 0.33904 0.39913 0.16380 0.83032 0.17154 0.57911 0.36053 0.62998 0.93634 0.98759 0.04165 0.95821 0.03505 0.05913 0.90310 0.87936 0.81676 0.70811
Y 0.21654 0.14798 0.03650 0.12450 0.47598 0.37327 0.49757 0.00710 0.35598 0.1038 0.04834 0.07642 0.10778 0.11736 0.07317 0.06416 0.26252 0.23277 0.42664 0.48293 0.38236 0.41154 0.39320 0.40026 0.47014 0.24929 0.27602 0.19582 0.30007 0.34986 0.23331 0.18305 0.28638 0.29016
2
0.42364 0.98083 0.19124 0.69431 0.43748 0.96046 0.62097 0.0 0.65361 0.94844 0.09817 0.59056 0.13425 0.86004 0.67971 0.35574 -0.00394 0.63939 0.98834 0.49303 0.49904 0.08345 0.80583 0.64000 0.26478 0.17041 0.20621 0.10667 0.12817 0.21315 0.61844 0.67456 0.62799 0.32835 continued.
Biso 0.44 0.25 0.26 0.22 0.22 0.24 0.24 0.21 0.21 0.54 0.58 0.48 0.41 0.65 0.46 0.44 0.64 0.47 0.47 0.49 0.42 0.48 0.54 0.48 0.40 0.97 3.79 3.0 3.55 4.47 0.89 3.25 2.36 0.94
occ 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.774 0.182 0.825 0.883 0.157 1.0 1.0 1.0 0.978
.. Zeolites
16:323-602,
1996
795
YUG
Yugawaralite . . . continued
796
Zeolites
16:323-802,
from previous
page
Atom
x
H31 H32 H33 040 041 H41 H42 H43 H51 H52 050
0.59175 0.65286 0.66062 0.36920 0.33283 0.39007 0.49359 0.45146 0.90889 0.87863 0.81646
1996
Y 0.27280 0.33338 0.32229 0.15938 0.12668 0.14373 0.13517 0.15376 0.20607 0.31721 0.25961
2 0.34773 0.39098 0.23748 0.36919 0.35814 0.28329 0.44553 0.40785 0.91977 0.90312 0.92491
@so 3.00 3.38 2.31 1.23 1.35 2.50 2.88 15.99 1.42 4.90 1.42
occ 0.482 0.417 1.001 0.887 0.128 0.910 0.704 0.314 0.098 0.119 0.119
Tetramethylammonium
REFINED
COMPOSITION: CRYSTAL
ZAPO-Ml
ZolN
(A125Zn7P32012s).(NsC42.656)
Pbca (No. 61)
DATA:
a = 14.226 A b = 15.117 A Q = 90” p = 90” X-ray single crystal refinement, REFERENCE:
c = 17.557 A y = 90”
R, = 0.069
B. Marler, J. Patarin and L. Sierra, Private communication (1995).
Atom All Al2 Al3 Al4 Znl Zn2 Zn3 Zn4 Pl P2 P3 P4 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 N Cl c2 c3 c4
X
Y
z
&so
0.0532 0.5553 0.4234 0.2111 0.0532 0.5553 0.4234 0.2111 0.4499 0.5849 0.5607 0.2147 0.0432 -0.5552 0.0523 -0.0558 -0.0494 0.0279 0.1970 -0.3063 -0.4573 0.0359 0.3383 -0.0722 0.3486 0.2528 0.1399 -0.1496 0.3047 0.2179 0.3954 0.3024 0.3006
0.7242 0.9022 0.6045 0.8403 0.7242 0.9022 0.6045 0.8403 0.4048 0.1002 0.7292 0.6608 0.0001 -0.0084 -0.1605 0.3285 -0.3296 0.1831 0.1063 0.1053 0.1168 0.1174 0.1058 0.2158 0.1715 0.2463 -0.1002 0.1936 0.9264 0.9808 0.9835 0.8446 0.8984
0.3410 0.4377 0.4306 0.5378 0.3410 0.4377 0.4306 0.5378 0.4262 0.4250 0.3412 0.4506 0.3975 0.6006 0.3570 0.3629 0.3703 0.3709 0.4270 0.4351 0.5049 0.5247 0.5102 0.2574 0.3817 0.4864 0.4770 0.3819 0.2574 0.2397 0.2517 0.2023 0.3392
1.56 1.56 1.56 1.56 1.69 1.69 1.69 1.69 2.25 2.25 2.25 2.25 3.46 3.46 3.46 3.46 3.46 3.46 3.46 3.46 3.46 3.46 3.46 3.46 3.46 3.46 3.46 3.46 4.41 12.44 12.44 12.44 12.44
occ 0.639 0.794 0.814 0.877 0.361 0.206 0.186 0.123 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.333 1.333 1.333 1.333
Zeolites
16:323-602,
1996
797
Alpha
REFINED
COMPOSITION:
CRYSTAL
Si408 Ellora,
DATA:
Cristobalite
Hyderahad,
India.
P41212 (No. 92) a = 4.97 X ck = 90”
b = 4.97 H, tl = 90”
X-ray single crystal refinement, REFERENCE:
W. A. Dollase, Z. Kristallogr. 121, 369-377 (1965).
Atom Si 0
798
Zeolites
16:323-802,
c = 6.94 A y = 90” R, = 0.044
1996
z 0.30004 0.23976
Y 0.30004 0.10324
z 0.0000 0.17844
Biso 0.83 1.55
OCC
1.0 1.0
Keatite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
Sii2024 Synthetic
material.
P4s212 (No. 96) a = 7.46 A b = 7.46 A o! = 90” p = 90” X-ray single crystal refinement, J. Shropshire, Z. Kristallogr.
Atom Sil Si2 01 02 03
2 0.326 0.410 0.445 0.117 0.344
c = 8.61 A y = 90” &kc = 0.129, Rhhl = 0.098
P. P. Keat, P. A. Vaughan, 112, 409-413 (1959).
Y 0.120 0.410 0.132 0.123 0.297
z
Biso
OCC
0.248 0.000 0.400 0.296 0.143
2.34 2.34 2.34 2.34 2.34
1.0 1.0 1.0 1.0 1.0
Biso is the average of Bhks = 1.47 A2 and Bhhl = 3.22 A2.
Zeolites
16:323-802,
1996
799
Moganite
REFINED
COMPOSITION:
CRYSTAL
Si12024 Mogan formation,
DATA:
REFERENCE:
I1 2/u 1 (No. a. = 8.758 A Q = 90”
Zeolites
16:323-802,
1996
x 0.2500 0.0115 0.9686 0.1711 0.8657
Canary
Islands
15) unique axis b, cell choice 3 b = 4.876 A c = 10.715 A p = 90.08” y = 90”
G. Miehe and H. Graetsch, Eur. .J. Mineral. 4, 693-706
Atom Sil Si2 01 02 03
800
Gran Canaria,
Y 0.9908 0.2533 0.0680 0.1770 0.2148
(1992).
z
Biso
OCC
0.0000 0.1678 0.2860 0.1050 0.0739
3.2 0.5 1.9 5.0 0.4
1.0 1.0 1.0 1.0 1.0
Alpha
REFINED
COMPOSITION:
CRYSTAL
DATA:
SisOs Synthetic
Quartz
material.
P3221 (No. 154) dextro-rotatory a = 4.916 A b = 4.916 H, a = 90” p = 90” X-ray single crystal refinement,
setting c = 5.4054 A y = 120” R, = 0.016
L. Levien, C. T. Prewitt and D. J. Weidner, Am. Mineral 65, 920-930 (1980).
REFERENCE:
Atom Si 0
z 0.5303 0.5865
Y 0.0000 0.7331
2
Biso
OCC
0.6667 0.7142
0.62 1.05
1.0 1.0
Zeolites
16:323-802,
1996
801
Tridymite
REFINED
COMPOSITION:
CRYSTAL
Si4sO9s From the Steinbach
DATA:
REFERENCE:
Zeolites
16:323-802,
Harvard
Museum,
Clcl (No. 9) unique axis b, cell choice 1 a = 18.524 A b = 5.0032 A c = 23.810 A Q: = 90” ,iY = 105.82’ y = 90” X-ray single crystal refinement; R, = 0.069 W. A. Dollase, W. H. Baur, Am. Mineral. 61, 971-978 (1976).
Aton Sil Si2 Si3 Si4 Si5 Si6 Si7 Si8 Si9 Silo Sill Si12 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 017 018 019 020 021 022 023 024
802
meteorite,
1996
X
0.5507 0.7036 0.4198 0.5751 0.9247 0.7643 0.8023 0.6453 0.8531 0.9493 0.7244 0.5697 0.5749 0.5707 0.7315 0.7509 0.4155 0.4127 0.8773 0.9160 0.7741 0.7336 0.6195 0.5811 0.4966 0.3533 0.6498 0.6524 0.8636 0.8361 0.5052 0.6369 0.9927 0.5 0.7252 0.7744
:Y 0.541 0.947 0.549 0.043 0.548 0.944 0.449 0.041 0.463 0.966 0.559 0.549 0.351 0.840 0.138 0.644 0.352 0.852 0.164 0.668 0.145 0.643 0.341 0.843 0.511 0.489 0.005 0.996 0.499 0.503 0.993 0.511 0.992 0.468 0.991 0.521
0.5;42 0.7374 0.6225 0.7955 0.6971 0.5386 0.7661 0.6027 0.9016 0.9358 0.9605 0.8702 0.8182 0.8476 0.4851 0.5152 0.6741 0.6434 0.9213 0.9361 0.7538 0.7402 0.5847 0.5661 0.6062 0.5665 0.6711 0.7805 0.7328 0.8333 0.7398 0.9268 0.8868 0.5 0.5898 0.9155
Biso 0.9 1.2 0.7 1.1 0.8 0.9 0.8 0.7 1.0 1.0 0.9 1.1 1.2 1.5 1.8 1.7 2.9 1.9 1.8 2.4 1.8 2.2 1.2 1.9 2.7 1.0 1.8 2.0 1.8 2.6 1.8 2.9 1.4 2.2 2.3 1.5
OCC
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
U.S.A
NOTES
The numerical data and the simulated powder patterns presented in this Collection are To facilitate the use of these reference patterns to a great extent self-explanatory. some pertinent remarks regarding the keywords used in the data section are summarized below. The input structural data have been deposited on the worldwide web at: Europe: http://www.izc-sc.ethz.ch/IZA-SC/ http://www-izc-sc.csb.yale.edu/IZA-SC/ North America: It is planned that portions of this Collection, including updates, will be accessible at these addresses, and users may copy the information. Alternatively, a text file containing the input structural data may be obtained by sending an email message to either [email protected] or [email protected] ZEOLITE
STRUCTURE
TYPES
Three-letter structure type codes have been used to organize the entries in this publication. The powder diffraction data and simulated patterns for the reference structures are listed alphabetically according to their respective structure type code. The mnemonic codes are listed in the At/as ofZeo/ite Structure Types (Meier, Olson and Baerlocher 1996) and are in accordance with the rules set up by the IUPAC Commission on Zeolite Nomenclature (published by IUPAC in 1978). REFERENCE
MATERIALS
We refer to the materials selected for inclusion in this Collection as reference materials. In many cases the reference materials are natural zeolites providing single crystal data. For roughly a third of the structure types represented, there are no known natural counterparts. In these instances, typical as-synthesized materials were selected if a suitable structure refinement could be found. In cases where this was not possible, the best available refinement of a calcined sample, or a DLS refinement, was used. Due to significant differences in their diffraction patterns, several isostructural species have been included in this Collection. These examples illustrate the extent of the differences observed in the diffraction patterns of zeolites with identical framework topologies but which vary in composition and/or symmetry. Outstanding examples are edingtonite and K-F (EDI), gismondine, amicite, gobbinsite, and Na-Pl (GIS), and assynthesized vs calcined ZSM-5 (MFI). Patterns of the commercially significant X and Y zeolites are included to complement the natural faujasite data.
330
Zeolites
16:323-802,
1996
COMPOSITION Compositions are expressed in terms of the full unit cell content. In the Powder Pattern section, the composition listed is that provided in the original reference, usually from chemical analysis. In the Atomic Coordinates section, the refined composition is derived from the structure refinement. Because of the complexities of structure refinements, the chemical and refined compositions do not always concur. When available, refinements of hydrated zeolites were used to calculate the patterns. For synthetic zeolites refinements of as-synthesized (uncalcined) products were chosen which contained occluded organic molecules if the zeolite had been synthesized in the presence of organic material. The sample locality is given in the case of natural zeolites. CRYSTAL
DATA
Crystal data include space group information from the international Tables for Crystallography, and the cell parameters. The type of refinement with the final Rvalues is listed in the Atomic Coordinates section. REFERENCE This entry cites the literature from which the crystal data, atomic coordinates, and temperature factors were obtained. In many cases there are multiple refinements of the same zeolitic material, but because of space limitations not all refinements could be included. We would appreciate if authors and users would inform us of any errors or omissions. A listing of the references for isotypic species can be found in the Atlas of Zeolite Sfructure Types (Meier, Olson and Baerlocher, 1996). A list of references to structure analyses of zeolites with different cations, up to 1982, is given in the Compilation of Extra Framework Sites in Zeolites (Mortier, 1982). POWDER
PATTERN
IDENTIFICATION
TABLES
A table is provided to assist in the identification of powder patterns of unknown materials. The 28 (“) values of the three most pronounced low-angle reflections are listed. Usually, these reflections are simply the three strongest peaks. In some instances, a pronounced low-angle reflection will be included, even if it is not among the most intense. The data for all the materials presented in this work are listed together and sorted by increasing 28 value. To identify an unknown material, measure the 20 values of the three most pronounced reflections, and find which materials have corresponding reflections at those values. This provides a starting point for a more detailed comparison of the experimental and calculated patterns.
Zeolites
16:323-602,
1996
331
CALCULATED
POWDER
DIFFRACTION
DATA
The powder diffraction data include the 28-values for CuK, radiation, d-spacings, relative intensities, Miller indices, and multiplicities for all reflections up to 50” 20. Reflections with an integrated intensity /,, of less than 0.1 were omitted from the table. In cases where not all the reflections could be listed on a single page the data table is continued in the Extra intensity Listing section. The scattering factors used for the framework T- and O-atoms in the structure factor computations were those selected by the authors of the original work. If none had been specified, we chose atomic (neutral) scattering factors. No adsorption corrections were applied to the data and anisotropic temperature factors were converted to isotropic temperature factors Bi,, (A’). SIMULATED
POWDER
PATTERN
The powder pattern for CuK, radiation is reproduced from 0” to 50” 28. The patterns were calculated using ZeoFile_pds running under HyperCardTM on an Apple MacintoshTM computer (J. M. Newsam and M. M. J. Treaty, Zeolites, 13, 183-186, 1993). The intensity scale is kept variable to accommodate extreme situations. The full intensity I,,, is plotted as I,, = 100. If only one or a few peaks are very intense and the rest of the pattern consists of low-intensity reflections, I,,,, is set at a lower value (see ordinate) to show sufficient detail in the low-intensity region of the pattern. The scale of the ordinate is calibrated in percent relative intensity of the maximum peak height. This linear intensity may differ slightly from the integrated intensity given in the numerical diffraction data. Furthermore, overlapping of closely spaced reflections may lead to significant changes in the intensities of composite peaks. A Cauchy (Lorentz) profile was assumed for the calculation of the pattern. The full width at half maximum (FWHM) of all peaks was set to be 0.08” 20. Many real samples will, in general, give diffraction patterns with broader lines due to instrumental broadening, disorder, or small crystallite size. Recent synchrotron powder diffraction data of some zeolite materials, however, exhibit FWHM of less than 0.08 28. Because hydrated forms of natural zeolites or as-synthesized forms were used whenever refined atomic parameters were available, the plots should be easily comparable to experimental patterns. In some cases, however, only structure refinements of dehydrated or calcined forms were available, and significant differences in the peak intensities (in particular for low angles), were found when comparing the calculated pattern to experimental patterns of hydrated or assynthesized materials. As explained in the Preface, we are now also including several calculated patterns based on DLS refinements. These exceptions are indicated in the Atomic Coordinates section. Finally, a note of caution should be addressed to the user of these reference patterns. The patterns are very useful in helping to establish the structural purity of a zeolite phase, yet they may not always allow one to readily and unambiguously determine the structure type of the sample. This assignment is often not straightforward and may
332
Zeolites
16:323-602,
1996
require more sophisticated analyses. A pertinent review of factors affecting the diffraction characteristics of zeolite materials has been provided by W. J. Rohrbaugh and E. W. Wu (ACS Symposium Series 411, 279-302, 1989). POWDER
PATTERN
SIMULATIONS
FOR DISORDERED
INTERGROWTHS
A number of zeolitic materials crystallize as disordered planar intergrowths of “endmember” frameworks. Two of the better-studied series are the FAU/EMT intergrowths (such as ZSM-2, ZSM-3, ZSM-20, ECR-30, CSZ-1 and CSZ-3) and the intergrown zeolite beta and its natural analog tschernichite. Powder patterns for five of the more commonly observed coherently intergrown series were calculated using the DlFFaX computer program (M. M. J. Treaty, J. M. Newsam and M. W. Deem, Proc. R. Sot. Lond. A 433, 499-520, 1991). Random stacking faults are assumed. The five series are; the beta family; CON-l/SSZ-26; FALVEMT; MFI/MEL; and OFF/ERI. The stacking fault probability is incremented from 0 to 1 in steps of 0.1. Stacking fault probabilities of 0 and 1 represent the unfaulted end-members. ABOUT
THIS BOOK
The data in this book were generated by computer, with final editing performed by hand. The original data from the literature were entered into the ZeoFile program (J. M. Newsam and M. M. J. Treaty, Zeolites, 13, 183-186, 1993), which runs under HyperCardTM on an Apple MacintoshTM computer. An automated HyperCardTM script was written to compute the diffraction and unit cell composition data for each material, and to output the formatted results, along with the original data, as a LaTeX text file. The text and tables in the manuscript were then typeset using the TexturesTM program. The plots were composed with the lgorTM graphing package, using layout macros generated by the same HyperCardTM script.
Zeolites
16:323-802,
1996
333
POWDER PATTERN IDENTIFICATION TABLES
334
Zeolites
16:323-602,
1996
Powder Pattern Identification 20” 3.42 3.56 4.14 4.48 4.57 4.83 5.04 5.31 5.38 5.50 5.55 5.55 5.64 5.87 5.87 5.92 6.10 6.12 6.12 6.19 6.23 6.24 6.31 6.33 6.48 6.51 6.57 6.57 6.65 6.65 6.69 6.77 6.78 6.82 6.85 6.98 7.05 7.10 7.18 7.20 7.41 7.42 7.42 7.43 7.47 7.57 7.61 7.63 7.66 7.68 7.68 7.69 7.71 7.71 7.72 7.74 7.75 7.78 7.82 7.84
Material Cloverite Paulingite NaZ-21 Maricopaite Decamethonium DAF-1 Cloverite Paulingite AlP04-8 VPI-5 Perlialite Linde Type L Mazzite Chiavennite Calcined EMC-2 EMC-2 Cloverite Dehydrated Na-X Decamethonium DAF-1 Hydrated Na-X Faujasite EMC-2 Calcined EMC-2 Siliceous Na-Y Dehydrated US-Y 1-aminoadamantane Deca-Dodecasil 3R Mordenite AlPO*-8 Di-n-propylamine MAPSOCalcined EMC-2 EMC-2 Dehydrated ZK-5 NaZ-21 VPI-8 Roggianite Calcined AlP04-41 Beta, polymorph A SiOz framework NU-87 Beryllophosphate-H Hydrated Linde Type A Dehydrated Linde Type A Nz, Piperidine Dodecasil 1H SAPO-56 Gmelinite Tetrapropylammonium fluoride AlP04-5 Calcined ZSM-12 Synthetic beta/Tschernichite Tetrapropylammonium SAPO-40 Calcined ZSM-12 CIT-1 1-aminoadamantane Deca-Dodecasil3R Offretite Erionite Bellbergite Piperidine AlP04-17 Di-n-propylamine MAPSOBeta, polymorph A SiOz framework ZSM-18 SiO2 framework Ferrierite ZSM-57 SiOz framework Boggsite
Code -CL0 PAU LTN MOR DFO -CL0 PAU AET VFI LTL LTL MAZ -CHI EMT EMT -CL0 FAU DFO FAU FAU EMT EMT FAU FAU DDR MOR AET AFS EMT EMT KFI LTN VET -RON AFO *BEA NES BPH LTA LTA DOH AFX GME AFI MTW *BEA AFR MTW CON DDR OFF ERI EAB ERI AFS *BEA ME1 FER MFS BOG
28” 7.84 7.88 7.89 7.90 7.91 7.91 7.92 7.93 7.94 7.94 7.94 7.95 7.95 8.01 8.01 8.02 8.06 8.09 8.10 8.11 8.15 8.20 8.21 8.22 8.32 8.33 8.36 8.49 8.56 8.64 8.64 8.68 8.72 8.75 8.81 8.85 8.86 8.87 8.91 8.93 8.94 8.94 9.01 9.05 9.07 9.10 9.10 9.14 9.15 9.18 9.23 9.23 9.24 9.30 9.36 9.38 9.40 9.42 9.45 9.45
Table
Material CIT-1 MAPO-36 Dodecasil 3C NU-87 Decamethonium DAF-1 Losod Calcined, rehydrated, EU-1 Calcined ZSM-11 NaZ-21 Calcined ZSM-5 Ammonium fluoride ZSM-23 Tetrapropylammonium ZSM-5 2-aminopentane nonasil Di-n-propylamine CoAPO-50 Calcined ZSM-5 Calcined, partially rehydrated, AlPO4-52 Tetrapropylammonium SAPO-40 Diisopropylamine MnAPO-11 Calcined AlPOd-11 Beryllophosphate-H Diethylamine theta-l (silica ZSM-22) MAPO-36 Partheite Ammonium fluoride ZSM-23 Hydrated rho Liottite SiO2 framework NU-87 Di-n-propylamine SAPO-31 Levyne SAPO-56 RUB-13 1-aminoadamantane NU-3 RUB-17 Calcined, rehydrated, EU-1 Calcined ZSM-11 Calcined ZSM-5 Tetrapropylammonium ZSM-5 VPI-7 Calcined ZSM-12 Deuterated berylloarsenate Lovdarite Ammonium fluoride ZSM-23 1-aminoadamantane sigma-2 RUB-13 Pahasapaite CIT-1 Maricopaite Hydrated AlPOd-C RUB-3 framework Quinuclidine AlPO4-22 Ferrierite Cobalt Gallophosphate Laumontite Tetramethylammonium OH AIPO4-12
Alp&-25 Leonhardite Chabazite ZSM-57 SiO2 framework Diisopropylamine MnAPO-11 Siliceous ferrierite Zeolites
16:323-602,
Code CON ATS MTN NES DFO LOS EUO MEL LTN MFI MTT MFI NON AFY MFI AFT AFR AEL AEL BPH TON ATS -PAR MTT RHO LIO NES AT0 LEV AFX RTH LEV RSN EUO MEL MFI MFI vsv MTW RHO LOV MTT SGT RTH RHO CON MOR APC RTE AWW FER LAU LAU ATT ATV LAU CHA MFS AEL FER 1996
335
Powder Pattern Identification 28” 9.47 9.48 9.48 9.49 9.52 9.54 9.56 9.57 9.59 9.61 9.62 9.64 9.65 9.68 9.68 9.70 9.71 9.72 9.72 9.77 9.77 9.85 9.88 9.91 9.95 9.97 9.97 10.00 10.06 10.06 10.08 10.11 10.15 10.17 10.18 10.19 10.31 10.47 10.61 10.70 10.75 10.77 10.77 10.85 10.89 10.90 10.93 11.07 11.08 11.11 11.17 11.19 11.29 11.43 11.45 11.52 11.54 11.56 11.57 11.67
336
Material Dehydrated ZK-5 Calcined AlP04-18 Methylbutylamine SAPO-47 Bellbergite Calcined AlP04-18 Calcined, partially rehydrated, AlPO4-52 MAPO-39 Calcined AlPOdVPI-8 2-aminopentane nonasil Mazzite (Na, tetramethylammonium)-E Roggianite Beta, polymorph A SiOz framework Erionite Stilbite Stellarite Calcined AlP04-41 Barrerite Piperidine AlPO4-17 Mordenite Heulandite Clinoptilolite Barrerite Dachiardite Epistilbite Dehydrated Na-X Hydrated Na-X Liottite SiOz framework RUB-10 SiOn framework Tetramethylammonium ZAPO-Ml Faujasite Maricopaite Hydrated Linde Type A RUB-13 Dehydrated Linde Type A Siliceous Na-Y AlPOd-H2 Calcined AlP04-18 Paulingite Nepheline hydrate RUB-10 SiOz framework VPI-5 Levyne Harmotome Partheite Phillipsite Heulandite 1-aminoadamantane NU-3 Mazzite ZSM-18 SiOz framework Clinoptilolite Bikitaite Barium chloroaluminosilicate Quinuclidine AlP04-16 Gmelinite Losod Wenkite SAPO-56 Quinuclidinium fluoride octadecasil
Zeolites
16:323-802,
1996
Code KFI AET CHA EAB AEI AFT ATN AEL VET NON MAZ EAB -RON *BEA ERI ST1 ST1 AFO ST1 ERI MOR HEU HEU ST1 DAC EPI FAU FAU LIO RUT ZON FAU MOR LTA RTH LTA FAU AHT AEI PAU JBW RUT VFI LEV PHI -PAR PHI HEU LEV MAZ ME1 HEU BIK MER AST GME LOS -WEN AFX AST
28” 11.77 11.79 11.79 11.86 12.10 12.13 12.15 12.35 12.35 12.38 12.38 12.40 12.42 12.44 12.45 12.46 12.46 12.49 12.55 12.57 12.58 12.59 12.65 12.67 12.69 12.71 12.78 12.78 12.83 12.84 12.88 12.89 12.90 12.91 12.91 12.91 13.00 13.07 13.11 13.25 13.33 13.34 13.37 13.38 13.39 13.41 13.41 13.44 13.45 13.50 13.53 13.56 13.60 13.64 13.72 13.72 13.76 13.80 13.88 13.89
Table continued Material Linde Type L Nepheline hydrate Weinebeneite Faujasite Siliceous Na-Y Amicite Gismondine Gobbinsite Phillipsite Di-n-propylamine MAPO-43 Garronite Harmotome Tetrapropylammonium SAPO-40 Merlinoite Na-exchanged K-F Na-Pl Hydrated Linde Type A Dehydrated Linde Type A Dehydrated AlPOd-C Gobbinsite Siliceous ferrierite Goosecreekite Tetramethylammonium OH AlP04-12 Yugawaralitr Ferrierite Laumontite Dachiardite ZSM57 SiOz framework Siliceous ferrierite Epistilbite RUB-17 Methylbutylamine SAPO-47 Hydrated AlPOd-C Calcined, partially rehydrated, AlPO4-52 AlPOd-D Dodecasil 3C Leonhardite Brewsterite Wenkite Na-exchanged K-F (Na, tetramethylammonium)-E Erionite Scolecite Piperidine AlP04-17 Thomsonite Montesommaite Gonnardite Mesolite Mordenite Bellbergite MAPO-39 Natrolite Edingtonite Hydrated AlPOh-C Calcined AlP04-41 Losod Tetramethylammonium ZAPO-Ml Li-ABW RUB-17 VPI-7
Code LTL JBW WE1 FAU FAU GIS GIS GIS PHI GIS GIS PHI AFR MER ED1 GIS LTA LTA APC GIS FER GO0 ATT YUG FER LAU DAC MFS FER EPI RSN CHA APC AFT APD MTN LAU BRE -WEN ED1 EAB ERI NAT ERI THO MON NAT NAT MOR EAB ATN NAT ED1 APC AFO LOS ZON ABW RSN VW
Powder Pattern Identification 28” 13.90 14.00 14.02 14.02 14.13 14.16 14.31 14.41 14.41 14.45 14.50 14.56 14.71 14.74 14.78 14.96 14.97 14.97 15.00 15.04 15.10 15.11 15.14 15.20 15.27 15.29 15.30 15.39 15.43 15.45 15.81 15.98 15.99 16.16 16.43 16.56 16.56 16.66 16.84 17.13 17.35 17.41 17.65 17.66 17.82 17.87 17.90 18.02 18.04 18.27 18.41 18.42 18.54 18.67 18.71 18.75 18.89 19.05 19.06 19.08
Material Harmotome Dehydrated AlPOd-C Brewsterite Cancrinite RUB-3 framework Sodalite octahydrate Tugtupite RUB-10 SiOz framework Partheite Liottite SiOz framework Roggianite ZSM-18 SiOz framework Linde Type L Melanophlogite Dachiardite
AlP04-25 Gonnardite Weinebeneite Dehydrated ZK-5 Natrolite Scolecite Mesolite Dodecasil3C Chiavennite Tetramethylammonium OH AIPO4-12 Lovdarite Yugawaralite Dehydrated Na-X Hydrat,ed Na-X Weinebeneite Analcime Dehydrated US-Y Goosecreekite Melanophlogite Edingtonite Perlialite Merlinoite Di-n-propylamine MAPSONz, Piperidine Dodecasil 1H 1-aminoadamantane Deca-Dodecasil Amicite 1-aminoadamantane NU-3 Gmelinite Na-Pl Lovdarite Garronite Dehydrated AlP04-V Epistilbite Gismondine Goosecreekite Afghanite MAPO-39 Quinuclidine AlP04-22 Hydrated rho Scolecite Quinuclidine AlP04-16 Edingtonite Natrolite MAPO-36 Stellarite
3R
Code PHI APC BRE CAN RTE SOD SOD RUT -PAR LIO -RON ME1 LTL MEP DAC i\TV NAT WE1 KFI NAT NAT NAT MTN -CHI ATT LOV YUG FAU FAU WE1 ANA FAU GO0 MEP ED1 LTL MER AFS DOH DDR GIS LEV GME GIS LOV GIS APC EPI GIS GO0 AFG ATN AWW RHO NAT AST ED1 NAT ATS ST1
280 19.15 19.17 19.17 19.21 19.35 19.56 19.59 19.74 19.76 19.78 20.01 20.07 20.09 20.11 20.18 20.36 20.45 20.51 20.53 20.55 20.61 20.62 20.62 20.71 20.82 20.86 20.97 21.03 21.04 21.10 21.13 21.18 21.19 21.22 21.22 21.23 21.53 21.57 21.60 21.67 21.68 21.77 21.87 21.90 21.90 21.92 21.93 22.00 22.03 22.13 22.21 22.36 22.38 22.50 22.52 22.58 22.62 23.05 23.13 23.18
Table continued Material Cancrinite Calcined, rehydrated, EU-1 Stilbite Thomsonite (Na, tetramethylammonium)-E 1-aminoadamantane sigma-2 RUB-3 framework Keatite l-aminoadamantane sigma-2 Barium chloroaluminosilicate Moganite Sodalite octahydrate VPI-8 Nepheline hydrate Di-n-propylamine SAPO-31 Diethylamine theta-l (silica ZSM-22) Chabazite Tetramethylammonium ZAPO-Ml Montesommaite Tridymite Quinuclidine AlP04-22 Methylbutylamine SAPO-47 2-aminopentane nonasil AlPOd-D Gismondine Ly quartz Tetrapropylammonium fluoride AlP04-5 Amicite Diisopropylamine MnAPO11 Barium chloroaluminosilicate AlPOdCobalt Gallophosphate AlP04-8 Bikitaite Laumontite Calcined AlPOdDi-n-propylamine MAPO-43 Gobbinsite Cs-aluminosilicate Na-PI Tridymite Levyne AlPOd-H2 Stellarite Stilbite Barrerite VPI-5 cr cristobalite Quinuclidine AlP04-16 Quinuclidinium fluoride octadecasil Heulandite Clinoptilolite Tetrapropylammonium fluoride AlP04-5 Synthetic beta/Tschernichite Perlialite Di-n-propylamine SAPO-31 Quinuclidinium fluoride octadecasil Boggsite Calcined ZSM-11 Tetrapropylammonium ZSM-5
Zeolites
16:323-602,
Code CAN EUO ST1 THO EAB SGT RTE SGT MER SOD VET JBW AT0 TON CHA ZON MON AWW CHA NON APD GIS AFI GIS AEL MER ATV LAU AET BIK LAU AEL GIS GIS CAS GIS LEV AHT ST1 ST1 ST1 VFI AST AST HEU HEU AFI *BEA LTL AT0 AST BOG MEL MFI
1996
337
Powder Pattern IdentificaGon Material
28” 23.24
Tridymite
23.32 23.49 23.58 23.73 23.78 23.86 24.14 24.16 24.16 24.18 24.62 24.65 24.68 24.71 24.79 24.80 24.83 25.14 25.14 25.19 25.36 25.37 25.41 25.49 25.76 25.77 25.96 26.03 26.27 26.44 26.49
Tiptopite Di-n-propylamine CoAPO-50 Offretite AlPOd-H2 Deuterated berylloarsenate Keatite Dehydrated US-Y Afghanite Pahasapaite Di-n-propylamine CoAPO-50 Diethylamine theta-l (silica ZSM-22) Sodalite octahydrate Cs-aluminosilicate Bicchulite Melanophlogite Tugtupite Cs-aluminosilicate Hydrated rho Tugtupite Cobalt Gallophosphate N2, Piperidine Dodecasil 1H Leonhardite Thomsonite VPI-9 Bikitaite Wenkite Analcime Keatite Moganite Boggsite Tiptopite
338
Zeolites
16:323-802,
Code -
1996
CAN AFY OFF AHT RHO FAU AFG RHO AFY TON SOD CAS SOD MEP SOD CAS RHO SOD LAU DOH LAU THO VNI BIK -WEN ANA
BOG CAN
Table continued Material
28” 26.65 26.73
Q quartz Moganite
Code -
27.01 27.02 27.07 27.43 27.46 27.63 27.66 27.74 27.89 28.15 28.33 28.44 28.47
Montesommaite Deuterated berylloarsenate Afghanite VPI-7 Pahasapaite Merlinoite Di-n-propylamine MAP043 Cancrinite Phillipsite Li-ABW Garronite Na-exchanged K-F o cristobalite
MON RHO AFG VSV RHO MER GIS CAN PHI ABW GE ED1 -
28.72 29.05 29.29 29.50 30.19 30.40 30.50 30.54 30.98 31.01 31.30 31.44 31.88 32.07 32.38 43.51
VPI-9 VPI-9 Yugawaralite Li-ABW Tipt.0pit.e Chabazite Brewsterite Analcime Mesolite Gonnardite Offret,ite o cristobalite Beryllophosphate-H Bicchulite Chiavennite Bicchulite
VNI VNI YUG ABW CAN CHA BRE ANA NAT NAT OFF BPH SOD -<‘HI SOD
POWDER
PATTERNS
Zeolites
16:323-802,
1996
339
ABW
Li-ABW COMPOSITION:
Li4(Si4Al4016).4&0
CRYSTAL
Pm21
DATA:
(No. 33) a = 10.313 A b = 8.194 A a = 90”
REFERENCE:
E. Krogh Andersen and G. Ploug-Sorensen, Z. Kristallogr. 176, 67-73 (1986).
h
k
1
20
d
M
Ire,
h
k
1
1 2 2 0 0 2 2 3 1 2 3 1 3
1 0 1 1 2 1 2 1 2 2 1 3 2
0 0 0 1 0 1 0 0 1 1 1 0 0
13.80 17.20 20.35 20.83 21.69 27.14 27.81 28.15 29.50 33.19 33.48 33.95 34.04
6.415 5.156 4.364 4.264 4.097 3.286 3.208 3.170 3.028 2.699 2.676 2.640 2.633
4 2 4 4 2 8 4 4 8 8 8 4 4
88.5 20.6 17.5 59.3 4.3 5.9 0.1 94.6 100.0 2.7 0.5 4.1 1.1
0 4 2 0 1 3 1 4 2 4 4 2 2
0 1 3 3 3 2 1 0 0 1 2 3 1
2 35.97 0 36.53 0 37.25 1 37.53 1 38.57 1 38.65 2 38.70 1 39.33 2 40.13 1 40.90 0 41.38 1 41.56 2 41.68
340
Zeolites
16:323-802,
c = 4.993 A y = 90”
p = 90”
1996
26’
d
M
IreI
hkl
2.496 2.459 2.414 2.396 2.334 2.329 2.327 2.291 2.247 2.206 2.182 2.173 2.167
2 4 4 4 8 8 8 4 4 8 4 8 8
34.7 3.3 0.1 9.0 5.5 11.3 6.0 0.3 5.0 3.7 2.5 7.9 1.3
3 1 0 1 5 4 2 3 3 2 4 1 5
3 0 2 2 4 0 4 0 1 0 2 1 2 2 3 1 1 2 4 0 3 0 4 1 2 0
28
d
42.26 43.34 44.21 45.12 45.34 45.36 46.07 46.18 46.29 47.77 48.56 48.86 49.47
2.139 2.088 2.048 2.009 2.000 1.999 1.970 1.966 1.961 1.904 1.875 1.864 1.842
M Ire1 4 8 2 4 4 8 8 8 8 4 4 8 4
0.5 0.7 6.6 0.4 1.9 0.4 0.2 2.2 9.3 0.7 1.2 0.9 1.3
ABW
Li-ABW
Zeolites
16:323-802,
1996
341
AEI
Calcined
COMPOSITION:
kd’24096
CRYSTAL
Cl 2/c 1 (No. 15) unique axis b, cell choice 1 a = 13.7114 A b = 12.7315 A c = 18.5706 A a = 90” p = 90.01" y = 90"
DATA:
REFERENCE:
A. Simmen, L. B. McCusker, Ch. Baerlocher and W. M. Meier, Zeolites 11, 654-661 (1991). Ch. Baerlocher, private communication.
h
k
1
26’
d
M
I rel
h
k
1 0 -1 1 2 -1 112 0 0 -2 2 0 -1 1 2 0 -2 2 0 3 -3 3 -2 2 -1 1 13 -1 1 -3 -2 0 -2 2 -1 13 -3 3 -1 115 4 -1 1 -2 2
1 0 1 1 0 1
0 2 1 1 0 2 0
9.330 9.285 8.337 8.336 6.856 6.582 6.581 6.366 6.022 5.516 5.515 5.250 5.158 5.158 4.665 4.643 4.524 4.524 4.438 4.302 4.191 4.191 4.169 4.168 4.157 4.156 4.054 3.961 3.961 3.903 3.844 3.751 3.726 3.725 3.715 3.715 3.533 3.532 3.451 3.451 3.428 3.392 3.391 3.291 3.290
4 2 4 4 2 4 4 2 4 2 2 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 2 4 4 4 4
100.0
2 21 0 0 2 1 1 2 0 2 2 2 10 1 1 2 2 1 1
9.48 9.52 10.61 10.61 12.91 13.45 13.45 13.91 14.71 16.07 16.07 16.89 17.19 17.19 19.02 19.12 19.62 19.62 20.01 20.65 21.20 21.20 21.31 21.32 21.38 21.38 21.92 22.45 22.45 22.78 23.14 23.72 23.88 23.89 23.95 23.95 25.21 25.21 25.82 25.82 25.99 26.28 26.28 27.10 27.10
-4 4 0 0 -3 3 -1 1 4 0 -4 4 -3 3 -1 1 -2 2 2 -4 4 -2 2 0 2 0 -3 3 -4 4 -2 2 -1 1 -4 4 510 -5 5 -2 2 -3 3 -2 2
0 0 2 4 1 1 3 3 2 4 2 2 3 3 1 1 2 2 4 2 2 4 4 4 0 2 3 3 0 0 4 4 3 3 2 2
2 2 5 0 4 4 4 4 0 2 1 1 2 2 6 6 5 5 0 2 2 1 1 3 6 6 3 3 4 4 2 2 5 5 3 3
1 1 4 4 3 3 2 2
1 1 3 3 4 4 6 6
342
3 3 1 0 2 2 2 3
2 2 2 3 3 0 4 1 1 3 1 1 2 2 4 4 0 1 1 2 4 4 3 3 2 2 3
1 13 1
5
0 3 3 2 2
0 3 3 4 4
Zeolites
AIPOd-18
16:323-902,
1996
57.9 13.5 14.6 13.5 2.4 2.8 1.9 0.4 6.5 6.0 19.2 9.3 9.5 3.0 0.9 1.6 2.0 6.6 11.8 0.1 3.0 0.9 5.6 4.2 0.5 0.7 0.2 0.4 0.3 1.5 1.2 4.4 4.6 1.6 3.6 0.4 0.9 1.2 0.9 3.8 3.3 2.8 0.4 0.4
1
28
d
M
Ire1
27.74 27.74 27.81 28.03 28.28 28.28 29.24 29.25 29.60 29.67 29.99 30.00 30.31 30.31 30.43 30.43 30.77 30.77 30.98 31.16 31.16 31.36 31.36 31.61 31.72 32.16 32.21 32.21 32.46 32.47 32.48 32.48 32.70 32.70 33.02 33.02 33.42 33.78 33.78 34.27 34.27 34.72 34.72 34.78 34.79
3.216 3.215 3.208 3.183 3.156 3.155 3.054 3.054 3.018 3.011 2.979 2.979 2.949 2.949 2.938 2.938 2.906 2.905 2.887 2.870 2.870 2.853 2.853 2.831 2.821 2.784 2.779 2.779 2.758 2.757 2.757 2.757 2.739 2.738 2.713 2.713 2.681 2.653 2.653 2.616 2.616 2.584 2.584 2.579 2.579
2 2 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4
0.2 0.4 5.9 0.8 0.2 0.1 0.6 0.5 1.0 0.4 1.4 2.2 1.4 0.6 1.3 1.9 1.5 1.2 2.6 5.1 3.7 0.2 0.2 1.8 0.4 4.2 1.0 0.9 0.5 0.4 0.5 0.5 1.7 2.5 0.9 0.9 0.2 0.5 0.5 0.4 0.2 0.1 0.4 0.3 0.1
h
k
1
28
d
M
Ire1
5 -1 -4 -3 1 -1 1 -5 -1 5 -2 0 0 -3 3 4 0 -4 4 -2 2 5 -5 5 3 -1 -5 5 0 -3 3 0 -4 4 6 2 0 -6 6 -3 3 -1 15 0 -5
1 1 2 1 5 5 5 1 3 1 4 2 4 3 3 4 0 4 4 2 2 3 3 3 1 1 3 3 4 3 3 2 2 2 2 4 6 2 2 5 5 5
2 7 4 6 0 1 1 3 6 3 4 7 5 5 5 0 8 1 1 7 7 0 1 1 7 8 2 2 6 6 6 8 6 6 0 6 1 2 2 3 3 5 5 2 4
34.83 35.17 35.47 35.74 35.87 36.20 36.20 36.52 36.52 36.53 36.65 36.70 37.20 37.72 37.73 38.60 38.79 38.91 38.92 39.06 39.06 39.11 39.42 39.42 39.93 40.02 40.34 40.35 40.66 41.14 41.15 41.40 41.80 41.81 42.01 42.84 42.90 43.17 43.17 43.22 43.22 43.60 43.60 43.76 43.88
2.576 2.552 2.531 2.513 2.504 2.481 2.481 2.460 2.460 2.460 2.452 2.449 2.417 2.385 2.384 2.332 2.321 2.314 2.314 2.306 2.306 2.303 2.286 2.286 2.258 2.253 2.236 2.235 2.219 2.194 2.194 2.181 2.161 2.161 2.151 2.111 2.108 2.095 2.095 2.093 2.093 2.076 2.076 2.069 2.063
4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4
0.4 0.2 0.4 0.1 0.9 0.2 0.3 0.5 0.1 0.5 0.1 0.3 0.1 0.2 0.1 0.3 0.3 0.3 0.2 0.5 0.1 0.3 0.5 0.3 0.2 0.1 0.2 0.2 0.1 0.4 0.6 1.0 0.2 0.2 0.1 0.2 0.4 0.5 0.2 0.7 0.5 0.1 0.3 0.2 0.1
6 3
AEI
Calcined AlPOd -18
Zeolites
16:323-802,
1996
343
AEL
Calcined
COMPOSITION:
A120P20Q30
CRYSTAL
Ibm2
DATA:
(No. 46) bat setting
a = 13.5336 A ci = 90”
REFERENCE:
1
1
0
0 2 1 2 0 3 0 2 3 1 1 2 0 3 3 1 2 4 1 2 4 0 4 0 3 2 3
2 0 3 2 4 1 0 3 0 1 4 4 2 2 3 5 0 0 3 2 2 4 1 6 1 5 4
0 0 0 0 0 0 2 1 1 2 1 0 2
344
1
0 0 2 0 2 2 0 2 1 0 2 1 1
d
A.4
8.10 9.57 13.08 15.80 16.23 19.21 20.26 21.23 22.22 22.39 22.75 22.95 23.31 23.33 24.40 24.46 24.97 25.02 26.34 26.58 26.84 28.08 28.78 28.87 28.99 29.51 29.53 29.66
10.919 9.241 6.767 5.607 5.460 4.620 4.383 4.185 4.001 3.971 3.908 3.876 3.816 3.812 3.649 3.640 3.566 3.559 3.383 3.354 3.321 3.177 3.102 3.093 3.080 3.027 3.025 3.012
4 2 2 4 4 2 4 2 8 4 8 8 4 4 8 4 4 4 2 8 8 4 4 8 2 8 8 8
Zeolites
16:323-802,
b = 18.4821 A p = 90”
c = 8.3703 A y = 90”
J. W. Richardson, Jr., J. J. Pluth and J. V. Smith, Acta Cryst. B44, 367-373 (1988).
29
hkl
AlPOd-
1996
I rel 100.0 82.1 18.9 35.6 1.3 0.6 17.7 71.4 26.2 18.9 5.0 23.9 26.6 6.2 1.7 1.7 0.9 1.9 11.3 5.9 0.2 2.0 0.2 2.3 7.0 2.7 0.3 1.2
hkl 3 1 2 2 4 3 4 4 1 5 4 0 5 3 4 2 3 3 2 1 3 4 3 4 6 5 1 5
5 6 4 6 3 3 4 0 7 0 2 6 3 6 5 3 0 5 7 4 2 4 7 6 0 4 7 5
0 1 2 0 1 2 0 2 0 1 2 2 0 1 1 3 3 2 1 3 3 2 0 0 0 1 2 0
28
d
A4
I rel
31.28 31.65 31.73 31.92 32.02 32.60 32.81 34.07 34.61 34.83 35.47 36.21 36.25 36.93 37.61 37.81 37.92 38.12 38.13 38.26 39.20 39.41 39.55 39.56 39.97 40.08 40.96 41.34
2.859 2.827 2.820 2.804 2.795 2.746 2.730 2.631 2.591 2.575 2.531 2.481 2.478 2.434 2.392 2.379 2.373 2.361 2.360 2.352 2.298 2.286 2.279 2.278 2.256 2.250 2.203 2.184
4 8 8 4 8 8 4 4 4 4 8 4 4 8 8 8 4 8 8 8 8 8 4 4 2 8 8 4
0.5 1.2 5.6 0.9 0.6 0.2 10.6 2.6 4.6 0.1 0.8 1.8 4.3 0.7 0.1 4.8 4.5 0.1 0.9 5.7 0.4 2.8 0.6 0.8 0.2 0.2 0.3 0.3
h 6 4 3 0 1 1 0 6 4 3 4 2 3 6 1 5 5 5 5 3 7 3 6 3 7 2 7 2
k 1 1 4 0 1 6 2 4 7 7 6 0 8 0 3 0 5 2 7 1 0 6 5 9 2 7 3 4
1 1 3 3 4 4 3 4 0 1 2 2 4 1 2 4 3 2 3 0 4 1 3 1 0 1 3 0 4
20 41.76 42.27 42.84 43.23 44.06 44.31 44.39 44.71 44.87 45.31 45.33 45.36 45.42 45.69 46.31 46.76 46.93 47.84 48.14 48.19 48.31 48.42 48.51 48.72 49.37 49.39 49.41 49.69
d 2.163 2.138 2.111 2.093 2.055 2.044 2.041 2.027 2.020 2.001 2.001 1.999 1.997 1.986 1.961 1.943 1.936 1.901 1.890 1.888 1.884 1.880 1.876 1.869 1.846 1.845 1.845 1.835
M 8 8 8 2 8 8 4 4 8 8 8 4 8 4 8 4 8 8 4 8 4 8 8 4 8 8 4 8
Ire1 0.7 0.8 0.8 3.0 0.1 0.7 0.4 2.3 2.0 0.3 1.0 0.1 0.6 0.5 0.4 0.1 0.4 0.1 0.3 0.1 1.2 0.3 0.1 0.3 0.1 1.0 0.6 0.3
AEL
Calcined AlPOd -11
Zeolites
16:323-602,
1996
345
AEL
Diisopropylamine
COMPOSITION:
(Mn2AllsPzoOso).CInH32N2
CRYSTAL
Ibm2 (No. 46) bai? setting a = 13.472 fi b = 18.712 A
DATA:
Ly = 90” REFERENCE:
hkl 1 1 0 2 2 0 1 3 2 2 2 1 0 4 3 1 0 0 2 3 3 0 1 1 1 4 0 2 2 4 3 2 3 3 1 5 2 0 1 3 4 0 2 2 4 2 0 4 0 6 4 1 2 5 3 1 3 4 3 5 1 6 2 4 2 6
346
0 0 0 0 0 1 0 0 2 1 1 2 1 2 0 1 0 0 2 2 0 2 0 2 0 1 1 2 1 0 1 2 0
26'
d
A4
I rel
10.933 9.356 6.736 5.660 5.467 5.069 4.678 4.367 4.222 4.024 3.965 3.938 3.915 3.848 3.842 3.651 3.644 3.606 3.577 3.384 3.368 3.341 3.169 3.134 3.119 3.086 3.050 3.035 3.025 2.875 2.859 2.842 2.830
4 2 2 4 4 8 2 4 2 8 4 8 8 4 4 8 4 4 4 8 2 8 4 4 2 8 8 8 8 4 8 8 4
29.6 41.6 14.9 31.0 3.7 0.2 5.2 36.2 100.0 44.4 31.6 11.8 41.0 12.5 60.4 3.2 0.7 7.3 4.0 14.2 16.5 0.3 2.8 0.2 13.7 3.2 0.5 6.4 1.3 0.4 0.9 7.8 0.4
16:323-802,
c = 8.4431 A y = 90”
p = 90”
J. J. Pluth, J. V. Smith and J. W. Richardson, J Phys. Chem., 92, 2734-2738 (1988).
8.09 9.45 13.14 15.66 16.21 17.50 18.97 20.34 21.04 22.09 22.42 22.58 22.71 23.11 23.15 24.38 24.42 24.69 24.89 26.34 26.46 26.68 28.16 28.48 28.62 28.94 29.28 29.43 29.53 31.11 31.29 31.48 31.61
Zeolites
MnAPO-11
1996
hkl 4 3 3 3 4 4 5 1 4 0 1 7 5 0 4 2 0 6 5 2 5 3 3 6 4 5 2 3 3 0 2 7 1 4 2 6 0 8 3 2 3 7 4 4 4 6 5 4 6 0 1 7 1 8 2 8 5 5 6 1 4 1 2 5 3 4
1 2 0 0 2 0 1 2 2 1 0 1 1 3 3 1 3 2 0 3 0 2 0 1 0 2 1 0 0 1 3 3 3
Jr.,
28
d
A4
Id
h
k
32.01 32.45 32.76 33.60 34.05 34.20 34.95 35.42 35.80 36.29 36.32 36.66 37.47 37.51 37.72 37.74 37.90 38.29 38.49 38.97 39.22 39.27 39.37 40.07 40.16 40.50 40.58 40.84 41.29 41.91 42.12 42.36 42.55
2.796 2.759 2.733 2.667 2.633 2.622 2.567 2.534 2.508 2.475 2.474 2.451 2.400 2.397 2.385 2.384 2.374 2.351 2.339 2.311 2.297 2.294 2.288 2.250 2.245 2.227 2.223 2.210 2.187 2.155 2.145 2.133 2.125
8 8 4 4 4 4 4 8 4 8 4 8 8 8 4 8 8 8 2 8 4 8 4 8 2 8 8 4 4 8 8 8 8
0.6 0.1 17.1 1.0 2.8 6.4 0.3 1.5 2.1 0.1 6.0 1.1 0.5 9.8 6.5 2.0 8.9 0.2 0.3 0.9 0.6 2.4 0.3 0.1 0.2 0.9 0.5 0.4 0.3 1.0 0.9 0.2 0.5
0 1 1 0 0 4 4 6 3 3 2 4 6 1 2 5 5 6 2 3 5 3 3 6 7 0 4 2 2 7 7 6
0 1 6 2 8 3 7 4 7 8 0 6 0 3 8 0 5 2 9 1 7 6 9 5 0 10 5 7 4 2 3 4
1
28
4 42.84 4 43.67 3 43.85 4 43.97 2 44.27 3 44.39 1 44.58 0 44.77 2 44.92 1 45.00 4 45.01 2 45.06 2 45.77 4 45.88 2 46.38 3 46.67 2 46.79 2 46.85 1 46.99 4 47.86 0 47.94 3 48.03 0 48.23 1 48.49 I 48.51 0 48.66 3 48.68 3 48.90 4 49.25 1 49.54 0 49.57 2 49.97
d
A4
IreI
2.111 2.072 2.065 2.059 2.046 2.041 2.032 2.024 2.018 2.015 2.014 2.012 1.982 1.978 1.958 1.946 1.942 1.939 1.934 1.900 1.898 1.894 1.887 1.877 1.876 1.871 1.871 1.863 1.850 1.840 1.839 1.825
2 8 8 4 4 8 8 4 8 8 4 8 4 8 8 4 8 8 8 8 4 8 4 8 4 2 8 8 8 8 4 8
4.7 0.1 0.7 0.3 0.4 0.3 3.0 3.1 0.6 0.6 0.1 0.6 1.2 0.4 0.1 0.1 0.9 0.1 0.2 0.2 0.5 0.6 0.1 0.3 1.8 0.1 0.2 1.3 0.5 0.2 0.9 0.7
Diisopropylamine
AEL
MnAPO-11
0 rr)
Zeolites
16:323-602,
1996
347
AET
AlPOr
COMPOSITION:
A136P360144
CRYSTAL
Cmcm (No. 631 a = 33.;900 A ’ b = 14.7036 A Q = 90” p = 90”
DATA:
REFERENCE:
h
k
2 1 3 0 2 3 5 6 4 1 4 7 6 1 0 8 2 1 7 3 5 6 3 0 0 8 9 5 2 5 0 4 4 10 8 9 1 7 4 7
0 1 1 2 2 1 1 0 2 3 2 1 2 3 0 0 0 1 1 3 3 2 1 4 2 2 1 3 2 1 4 4 2 0 2 1 3 3 4 1
346
1 0 0 0 0 0 1 0 0 0 0 1 0 0 1 2 0 2 2 1 1 0 1 2 0 2 0 0 1 2 2 1 0 2 0 1 1 2 1 1 2
20 5.31 6.57 9.99 12.04 13.16 14.55 14.60 15.97 16.09 18.30 19.27 19.62 20.05 21.16 21.19 21.35 21.86 22.21 22.32 22.49 22.53 22.71 23.47 24.21 24.44 24.58 24.82 24.93 25.03 25.83 26.47 26.51 26.72 26.78 26.81 27.03 28.13 28.23 28.60 29.03
Zeolites
d 16.645 13.450 8.857 7.352 6.725 6.090 6.065 5.548 5.510 4.849 4.605 4.525 4.429 4.198 4.193 4.161 4.066 4.003 3.982 3.954 3.947 3.916 3.790 3.676 3.642 3.621 3.587 3.571 3.558 3.449 3.367 3.362 3.337 3.329 3.325 3.298 3.172 3.161 3.121 3.076
16:323-602,
c = 8.3863 A y = 90”
J. W. Richardson, Jr. and E. T. C. Vogt, Zeolites 12, 13-19 (1992).
M
I rf-21
2 4 4 2 4 8 4 2 4 4 8 4 4 8 2 2 4 8 8 8 4 8 8 2 4 4 4 8 8 8 4 4 8 2 8 8 8 8 8 8
100.0 94.7 17.1 0.2 0.1 0.1 6.9 0.5 7.6 4.7 0.3 2.9 6.0 4.3 27.9 0.5 2.6 5.0 5.7 7.3 0.2 10.1 0.9 4.4 0.2 0.8 5.9 0.2 0.1 0.7 0.2 3.7 1.2 0.4 0.4 0.3 1.1 0.7 0.2 0.8
1996
hkl 6 6 10 11 8 6 3 11 12 0 1 9 3 5 4 8 10 2 13 7 6 10 10 0 2 1 7 7 3 10 6 3 0 9 5 13 5 6 0 9
4 2 2 1 0 4 5 1 0 4 1 1 5 5 4 4 0 2 1 5 4 4 2 6 6 3 5 1 3 4 2 5 6 5 3 3 5 6 4 1
0 2 0 0 2 1 0 1 0 2 3 2 1 0 2 1 2 3 0 0 2 0 2 0 0 3 1 3 3 1 3 2 1 0 3 0 2 0 3 3
20
d
29.14 29.33 29.45 30.15 30.26 31.07 31.47 32.02 32.27 32.39 32.72 32.86 33.28 33.31 34.18 34.26 34.40 34.75 35.59 35.90 36.31 36.41 36.57 36.67 37.08 37.12 37.52 37.83 37.93 38.01 38.07 38.25 38.26 39.13 39.50 39.71 39.81 40.23 40.54 40.93
3.064 3.045 3.033 2.964 2.954 2.878 2.843 2.795 2.774 2.764 2.737 2.726 2.692 2.690 2.623 2.617 2.607 2.581 2.523 2.501 2.474 2.467 2.457 2.451 2.424 2.422 2.397 2.378 2.372 2.367 2.364 2.353 2.352 2.302 2.281 2.270 2.264 2.242 2.225 2.205
Jbf Ire1 4 8 4 4 4 8 4 8 2 4 8 8 8 4 8 8 4 8 4 4 8 4 8 2 4 8 8 8 8 8 8 8 4 4 8 4 8 4 4 8
2.5 1.3 3.0 0.2 0.4 0.3 2.1 0.2 0.8 0.8 0.1 1.4 0.2 1.0 0.6 0.3 0.6 0.2 1.5 0.2 0.7 0.4 0.8 0.6 0.7 1.2 0.2 1.6 1.9 0.2 1.6 0.3 0.2 0.1 0.6 0.3 0.2 0.2 0.2 0.7
h
k
I
20
d
M
Ire1
15 13 7 13 4 12 8 2 0 16 1 3 4 11 3 9 5 13 6 15 8 12 16 14 17 13 1 7 10 7 7 13 7 16 3 10 0 12
1 3 3 1 4 4 6 6 0 0 1 7 6 5 1 5 7 3 6 3 4 4 2 4 1 5 3 7 6 1 7 1 5 0 7 4 6 6
0 1 3 2 3 1 0 2 4 0 4 0 2 1 4 2 0 2 2 1 3 2 1 1 0 0 4 0 1 4 1 3 3 2 2 3 3 0
41.13 41.20 41.77 41.79 42.03 42.21 42.82 43.10 43.15 43.49 43.69 43.87 44.17 44.28 44.40 44.92 45.27 45.44 45.90 46.19 46.27 46.37 46.64 46.77 46.80 47.05 47.23 47.31 47.32 47.81 48.61 48.61 48.86 48.86 49.20 49.26 49.46 49.64
2.194 2.191 2.163 2.162 2.150 2.141 2.112 2.099 2.097 2.081 2.072 2.064 2.050 2.045 2.040 2.018 2.003 1.996 1.977 1.965 1.962 1.958 1.947 1.942 1.941 1.931 1.924 1.921 1.921 1.902 1.873 1.873 1.864 1.864 1.852 1.850 1.843 1.837
4 8 8 8 8 8 4 8 2 2 8 4 8 8 8 8 4 8 8 8 8 8 8 8 4 4 8 4 8 8 8 8 8 4 8 8 4 4
0.1 0.3 1.0 0.1 0.1 0.2 0.1 0.2 1.7 0.3 0.4 0.2 0.3 0.1 0.1 0.2 0.3 0.8 0.4 0.2 0.2 0.4 0.3 0.2 0.3 0.8 0.1 0.1 0.1 0.1 0.4 0.1 0.2 0.3 0.1 0.3 0.3 0.3
AET
AlPOd -8
Zeolites
l&323-802,
1996
349
AFG
Afghanite
COMPOSITION:
(Na22Cag.~)(Si24A1240~s).[(S04)5.3(C03)C12(H20)4]
Locality CRYSTAL
DATA:
P63mc
unknown. (NO.
a = 12.761 A Q = 90”
k 0 0 0
1
1 1 1 2 1 0 2 2 1 2 2 1 2 1 2 2 3 3 2 0 3 1 2 2 3 2 1 2 3 3 2 2 1
0 1 0
2 0 3
350
1 0 2
0 0 1 0 0 0 0 0 1 1 1 0 1 0 0 0 1 0 0 0 0 1 0 2 1 2 0 1 0 1 0
2 4 1 2 4 3 0 4 1 5 2 4 0 1 3 6 2 6 5 4 3 0 6 2 4 1 6 5 7
219 8.00 8.26
9.00 11.51 13.88 14.77 16.04 16.17 16.56 16.57 18.06 18.41 20.32 21.27 21.67 21.68 22.26 22.85 23.13 24.16 24.52 24.69 24.95 25.57 26.24 26.33 27.07 27.24 27.97 28.66 29.21 29.43 29.44 29.80 29.88 30.31
Zeolites
d 11.051 10.708 9.821 7.690 6.381 5.996 5.526 5.481 5.354 5.350 4.910 4.818 4.370 4.177 4.101 4.100 3.994 3.891 3.845 3.684 3.630 3.605 3.569 3.483 3.397 3.385 3.293 3.274 3.190 3.115 3.057 3.035 3.034 2.998 2.990 2.949
16:323-802,
c = 21.416 A y = 120"
E. A. Pobedemskaya, R. K. Rastsvetaeva, L. E. Terenteva and A. N. Saposhnikov, Doklady Akademee Nauk SSSR, 320, 882-886
REFERENCE:
h 1 0 1
186) h = 12.761 A p = 90”
M
Ire1
6 2 12 12 6 12 6 12 2 12 12 12 12 12 12 24 12 24 12 6 12 24 2 12 12 12 24 12 6 12 12 12 24 12 24 12
0.1 1.5 10.2 3.9 6.2 15.8 0.3 1.4 1.5 2.8 0.4 64.9 0.5 1.8 1.2 3.5 28.9 1.7 1.8 100.0 0.3 7.0 0.1 0.3 0.2 2.4 73.6 2.2 2.0 1.7 0.4 0.5 4.9 0.2 0.1 5.0
1996
h
k
3 1 3 1 3 0 4 0 2 2 4 01 2 1 0 0 2 0 4 0 3 1 10 4 0 3 0 3 2 3 2 3 1 1 1 3 2 4 0 4 10 2 0 4 1 3 2 3 0 4 1 1 0 3 1 4 0 3 2 4 1 2 18 5 0 5 01 2 0 4 0
1
28
d
2 3 5
30.33 31.77 32.05 32.40 32.67 32.68 33.01 33.47 33.48 33.50 33.69 34.47 34.82 35.00 35.40 35.66 36.03 36.39 36.42 36.60 37.29 37.32 37.53 37.65 38.24 38.25 38.71 38.72 38.78 39.32 39.44 40.00 40.83 41.05 41.31 41.32
2.947 2.817 2.793 2.763 2.741 2.740 2.714 2.677 2.677 2.675 2.660 2.602 2.577 2.563 2.535 2.518 2.493 2.468 2.467 2.455 2.412 2.409 2.397 2.389 2.354 2.353 2.326 2.325 2.322 2.291 2.285 2.254 2.210 2.199 2.185 2.185
0 4 6 8 7 2 4 8 3 6
0 1 5 8 2 4 8 1 3 7 2 9 6 5 4 3
0 9 6
iv
Ire1
24 24 12 6 12 12 24 2 12 12 24 12 12 12 12 24 24 12 24 12 12 12 24 24 12 24 12 24 12 24 24 24 6 12 12 12
0.5 5.9 3.3 8.2 3.0 7.2 0.3 30.5 0.2 0.1 10.5 2.9 9.1 0.3 0.3 0.2 7.5 0.6 0.1 27.5 6.0 1.0 0.7 0.3 0.5 0.2 1.4 0.4 5.8 0.4 1.3 0.5 0.7 1.3 0.1 0.3
hk
1
28
d
32 30 317 50
5
41.38 41.71 41.71 41.73 42.20 42.50 42.83 43.02 43.32 43.54 43.78 44.16 44.17 44.18 44.34 44.63 44.96 45.37 45.39 45.42 45.71 45.91 46.52 46.53 46.68 47.28 47.41 48.43 48.49 48.94 49.21 49.48 49.52 49.65
2.182 2.166 2.165 2.165 2.142 2.127 2.111 2.102 2.089 2.079 2.068 2.051 2.050 2.050 2.043 2.030 2.016 1.999 1.998 1.997 1.985 1.977 1.952 1.952 1.946 1.923 1.917 1.880 1.877 1.861 1.852 1.842 1.841 1.836
0 33 50 1 42 42 219 22 40 42 50 1 31 30 416 2 5 33 32 512 42 40 1 319 42 5 3 60 32 2
8 2
0 0
10 0 3 10
0 1
1
8 7 2 4 10 8
9 0 1
10 0 4 7
0
4 8 11
1 0
5 4 10
0 0
8 11
(1991).
I@ Ire1 24 12 24 12 2 6 12 12 12 24 24 12 12 24 12 12 24 12 24 12 12 12 24 24 24 12 12 24 24 24 12 6 24 12
1.3 2.8 3.1 0.1 0.4 31.1 0.4 0.3 1.1 0.1 0.2 8.3 3.7 0.3 1.2 0.6 0.5 0.2 0.2 0.3 0.6 0.4 0.3 0.6 1.6 8.5 0.9 1.5 0.4 3.1 0.4 1.3 0.4 0.1
AFG
Afghanite
/ -=j 1
3 -
+
, 4
Zeolites
16:323-802,
1996
351
AFI
Tetrapropylammonium
COMPOSITION:
(A112P12048)'(C3H7)4NF
CRYSTAL
P6cc (No. 184) a = 13.740 A b = 13.740 A p = 90” CL= 90”
DATA:
REFERENCE:
hkl 1 1 2 2 0 1 2 3 1 2 2 2 3
352
0 1 0 1 0 0 1 0 1 0 2 1 1
0 0 0 0 2 2 1 0 2 2 0 2 1
28
d
7.43 12.89 14.89 19.74 20.97 22.27 22.38 22.41 24.69 25.81 25.94 28.95 29.04
11.899 6.870 5.950 4.497 4.237 3.992 3.973 3.966 3.606 3.451 3.435 3.084 3.075
Zeolites
fluoride
16:323-802,
AIP04-5
c = 8.474 W y = 120”
S. Qiu, W. Pang, H. Kessler and J. L. Guth, Zeolites 9, 440-444 (1989).
h!l 6 6 6 12 2 12 24 6 12 12 6 24 24
1996
IreI 100.0 6.3 20.6 42.4 45.3 12.5 55.3 1.3 2.5 0.5 19.6 8.2 5.6
hlcl 4 2 3 3 4 4 4 2 5 3 4 4 3
0 2 1 2 1 1 0 1 0 3 1 2 1
0 2 2 1 0 1 2 3 0 0 2 1 3
20
d
30.04 33.59 34.45 34.52 34.54 36.18 36.92 37.60 37.80 39.34 40.75 41.55 42.11
2.975 2.668 2.604 2.598 2.597 2.483 2.435 2.392 2.380 2.290 2.214 2.173 2.146
M 6 12 24 24 12 24 12 24 6 6 24 24 24
Ire1 11.4 3.7 0.4 1.0 10.3 0.2 2.8 12.1 0.2 0.2 0.8 2.6 1.9
hkl 5 0 1 5 5 1 3 6 3 2 5 4 5
1 0 0 0 1 1 3 0 2 1 1 3 2
0 4 4 2 1 4 2 0 3 4 2 1 0
26
d
42.29 42.68 43.38 43.62 43.68 44.77 45.00 45.75 46.25 47.44 47.66 47.71 47.73
2.137 2.119 2.086 2.075 2.072 2.024 2.015 1.983 1.963 1.916 1.908 1.906 1.905
l%f Ire1 12 2 12 12 24 12 12 6 24 24 24 24 12
1.9 3.0 0.6 1.8 0.2 0.2 1.5 0.8 0.6 0.8 0.4 2.4 2.4
Tetrapropylammonium
fluoride
AFI
AlPOd -5
-=j
I
--====4
Zeolites
16:323-802,
1996
363
AFO
Calcined
COMPOSITION: CRYSTAL
-4hoP10040
DATA:
P1121 (No. 4) unique axis c a = 9.7179 A’ b - 13.7915 A ct = 90” D = 90”
REFERENCE:
h 0 1 1 0 0 1 1 1 0 1 1 2 1 1 2 2 0 2 002 1 1 2 2 0 2 2 0 1 1 2 2 0 1 1 1 1 2 2 3 1 1 2 1 1 202
354
k 1 0
1 0 0
-1 11 2 10 -2 -1 21 1 -2 -1 2 -3 0 -2 3 -1
0
21 -3 01 -2 12 1 -3 3 0 -1 1 -3 2 1 -2 3 -4 20 -4 -2 31 -4 -1 2 -3
0 0 1 1 1 0 0 0 0 0 0 1
1 1 0 0 1 2 2 1 1 2 2 2 0 0 0 0 1 2 2 2
i'eolites
d
20 6.85 9.72 9.73 12.62 13.72 13.74 13.75 14.39 17.36 17.37 17.38 18.26 19.46 19.47 19.52 19.52 20.64 21.15 21.26 22.20 22.21 22.25 22.26 22.36 22.90 22.91 23.25 23.42 23.42 25.29 25.30 25.39 25.40 25.40 25.83 25.84 27.68 27.70 27.76 27.98 27.99 28.16 28.98 28.98 29.01
12.910 9.096 9.093 7.017 6.455 6.445 6.441 6.154 5.109 5.104 5.102 4.859 4.561 4.559 4.548 4.547 4.303 4.201 4.180 4.004 4.003 3.995 3.994 3.976 3.883 3.881 3.826 3.798 3.798 3.522 3.520 3.508 3.507 3.506 3.449 3.448 3.222 3.221 3.214 3.188 3.187 3.169 3.081 3.081 3.078
16:323-802,
c = 8.3591 A y = 110.6”
R,. M. Kirchner and J. M. Bennett, Zeolites 14, 523-528 (1994).
M
I rel
2 2 2 4 2 2 2 4 4 4 4 2 2 2 2 2 2 4 2 4 4 4 4 4 2 2 4 4 4 4 4 4 4 4 2 2 2 2 2 4 4 4 4 4 4
100.0 42.8 35.6 0.6 41.9 10.1 8.6 0.2 0.6 0.3 0.4 10.6 0.1 0.5 0.8 0.9 3.1 0.3 68.3 10.5 9.7 19.5 23.0 3.3 18.0 15.9 13.5 1.6 4.7 1.7 1.8 2.8 3.0 2.1 10.7 11.5 1.6 0.7 1.7 0.6 0.3 2.1 0.9 0.7 0.3
1996
Al Pod-41
h 2 300 3 0 2 3 3 032 3 3 2 2 1 3 0 230 2 1 1 1 1 1 1 3 3 050 2 2 0 1 1 2 3 0 302 3 320 3 4 2 4 1 1 203 2
k
1
-2
2
-3 41 2 -1 -2
0 1 1 1
01 -3 1 1 2 -3 2 4 0 -4 0 1 3 -5 0 -1 3 -4 41 -5 1 -4
0 3 3 2 2 1 1 1
31 -5 2 13 -2 2 -2 5
3 2 2 1
-3
2
-5 -2 -1 -1 2 -3
0 0 3 0 3 3
-2
3
1 3
20
d
M
I I-21
h
29.02 29.46 29.47 29.67 29.71 29.78 29.78 29.80 31.38 31.39 31.45 31.45 32.54 32.64 32.88 33.32 33.33 33.64 33.64 33.69 33.70 34.31 34.32 34.39 34.40 34.74 35.05 35.07 35.08 35.09 35.09 35.17 35.23 36.42 36.61 36.62 36.92 36.94 37.00 37.20 37.67 37.84 37.84 37.87 37.87
3.077 3.032 3.031 3.011 3.007 3.000 3.000 2.998 2.850 2.850 2.845 2.844 2.752 2.744 2.724 2.689 2.688 2.664 2.664 2.660 2.660 2.614 2.613 2.608 2.607 2.582 2.560 2.559 2.558 2.558 2.557 2.552 2.548 2.467 2.454 2.454 2.434 2.433 2.430 2.417 2.388 2.378 2.378 2.376 2.376
4
0.3 11.6 5.1 0.9 0.1 1.4 1.0 1.4 0.4 0.2 2.8 4.4 0.1 0.2 0.3 1.4 4.6 0.1 0.8 4.2 0.6 0.5 0.4 0.2 1.0 2.8 0.5 0.5 0.3 0.3 0.3 0.3 0.3 0.5 1.4 2.2 1.2 1.1 2.6 0.3 0.8 0.2 2.9 6.2 2.2
033 3 4 4 4 1
4
4
4 4 4 4 4 4 4 2 2 2 4 2 4 4 4 4
4
2 2 2 2 1 1 2 0 1 0 3 043 2 2 3 3 3 004 3 3 4 0 3 3 4 4 1 1 1 242 4 4 1 1 2 1 1 3
k
1
2 -2 -1 -3 -6
1 1 1 1 0
0
0
13 -3 3 -5 51 -6 -6 52 3 6 3 2 -4 -1 22 -5 3 -6 -1 1 0 -3 11 -5 -1 5 -6 0 -4 1 -2 -7 4 -5 13
3 2 2 1 1 3 0 0 3 3 3 2 1 1 2 4 3 3 1 4 2 2 2 2 4 4 0 3 3
28 38.49 38.51 38.59 39.24 39.25 39.50 39.63 39.82 39.83 39.86 39.88 41.00 41.01 41.04 41.09 41.67 41.99 42.06 42.88 42.91 42.92 42.96 42.99 43.01 43.29 43.50 43.52 43.66 43.89 44.14 44.15 44.15 44.17 44.48 45.28 45.28 45.30 45.40 45.41 45.64 45.64 46.15 46.37 46.38 46.44
d 2.339 2.337 2.333 2.296 2.296 2.281 2.274 2.264 2.263 2.261 2.261 2.201 2.201 2.199 2.197 2.167 2.152 2.148 2.109 2.108 2.107 2.105 2.104 2.103 2.090 2.081 2.080 2.073 2.063 2.052 2.051 2.051 2.050 2.037 2.003 2.003 2.002 1.998 1.997 1.988 1.988 1.967 1.958 1.958 1.955
M
Id
4 4 4 4 4 2 2 4 4 4 4 4 4 4 4 4 2 2 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4
4.5 0.1 0.2 0.2 0.6 0.2 1.4 0.2 0.8 0.4 0.7 0.2 0.1 0.4 0.2 0.1 0.3 0.9 0.3 0.1 0.3 0.4 0.1 0.3 3.2 0.4 0.4 0.2 0.3 0.3 0.1 0.9 0.8 0.5 0.7 0.1 0.2 0.8 0.9 0.2 0.4 0.1 0.2 0.3 0.2
Calcined
AlPOd
AFO
-41
-J1
Zeolites
16:323-602,
1996
355
AFR
Tetrapropylammonium
COMPOSITION:
(Si7AhgPzsOm).4(C3H7)4NOH
CRYSTAL
Pccn (No. 56) a = 21.9443 A a = 90”
DATA:
REFERENCE:
hkl 1 1 0 2 2 0 0 1 3 0 2 1 2 4 2 2 3 0 1 4 3 2 1 1 4 4 1 5 2 4 4 3 5 3 0 1 1 5 2 4 6 2 5 5 0 0 0
356
0 1 0 2 0 1 1 0 2 2 0 1 2 0 2 2 1 1 2 3 1 0 2 3 1 1 1 2 2 1 3 3 2 3 0 2 2 0 3 1 2 0 1 4
0 1 2 0 2 0 2 2 1 0 0 2 1 2 2 2 1 2 2 0 3 2 0 1 0 3 2 1 2 1 0 2 3 2 2 3 2 0 2 2 1 4 4 0
20 7.61 8.06 12.06 12.42 12.93 13.06 13.73 14.01 14.83 14.91 15.26 16.16 16.18 16.48 17.38 17.97 18.42 18.50 18.55 19.72 19.87 20.20 20.43 20.75 20.83 21.26 21.39 21.45 21.68 21.72 22.17 22.97 23.14 23.15 23.50 23.81 24.21 24.25 24.34 24.54 24.70 24.90 25.00 25.84 26.03
Zeolites
SAPO-40
d 11.616 10.972 7.339 7.124 6.846 6.776 6.452 6.320 5.975 5.940 5.808 5.486 5.476 5.378 5.104 4.936 4.816 4.795 4.782 4.502 4.468 4.396 4.347 4.281 4.263 4.179 4.153 4.143 4.100 4.092 4.010 3.872 3.843 3.842 3.785 3.737 3.677 3.669 3.657 3.627 3.605 3.576 3.562 3.447 3.423
16:323-602,
b = 13.6911 A p = 90”
c = 14.2486 A y = 90”
L. B. McCusker and Ch. Baerlocher, Microporous Materials, in press.
A4 4 2 8 2 2 4 4 4 4 8 4 2 8 8 4 4 8 8 8 8 4 8 4 4 8 4 8 8 8 8 8 4 4 8 8 4 8 8 2 8 8 8 2 4 2
1996
I rel
h
k
100.0 72.8 0.1 52.5 0.7 3.5 46.6 48.3 0.5 0.1 3.8 0.3 1.3 0.2 11.4 0.4 17.4 0.5 22.8 5.2 37.6 0.4 13.4 3.1 1.0 2.8 1.7 11.7 1.2 13.2 1.3 13.9 5.6 2.0 4.5 18.9 0.2 9.4 0.4 2.2 14.7 0.3 1.1 2.5 19.8
4 1 3 2 2 5 2 6 6 3 6 0 4 1 3 5 0 1 2 3 4 6 4 4 3 5 7 4 3 7 0 5 8 2 1 4 1 6 7 3 7 5 8 0 6
3 1 3 0 1 2 4 0 2 0 1 2 3 2 1 3 4 4 2 3 0 2 1 4 2 3 0 4 4 1 3 0 0 3 5 4 5 3 2 3 3 2 0 5 0
1 1 4 2 4 4 2 0 2 0 4 2 4 2 4 4 1 2 2 4 3 4 2 4 0 4 2 2 1 2 2 4 4 0 4 0 2 1 2 2 4 0 4 2 2 4
28
d
26.16 26.17 26.19 26.30 27.11 27.19 27.29 27.41 27.65 27.86 28.19 28.24 28.35 28.54 28.62 28.91 28.94 29.23 29.41 29.77 29.91 30.42 30.63 30.79 30.82 30.93 31.17 31.44 31.47 31.86 31.87 32.37 32.64 32.92 32.96 33.32 33.58 33.83 33.87 34.20 34.72 34.99 35.05 35.11 35.17
3.407 3.406 3.402 3.388 3.289 3.280 3.267 3.254 3.226 3.203 3.165 3.160 3.148 3.128 3.118 3.088 3.085 3.055 3.036 3.001 2.988 2.939 2.919 2.904 2.901 2.891 2.869 2.845 2.843 2.808 2.808 2.766 2.743 2.720 2.717 2.689 2.669 2.649 2.646 2.621 2.584 2.564 2.560 2.556 2.552
Al 8 8 8 4 8 8 4 4 4 4 8 8 8 8 8 4 8 8 8 4 8 8 4 8 8 4 8 8 8 4 4 2 8 4 8 8 8 8 8 4 8 4 4 4
I rel 0.4 3.0 4.2 0.7 0.4 0.1 4.0 16.3 6.3 31.8 3.9 1.1 2.1 1.2 1.9 0.1 0.7 3.6 0.2 0.1 0.2 3.6 3.2 2.0 1.4 0.1 1.6 0.2 1.1 3.7 0.9 5.2 0.4 0.9 0.2 3.1 0.1 3.1 0.4 0.4 0.1 1.1 0.3 9.9 0.2
h k 1 8 6 4 6 2 3 7 3 2 9 6 0 5 2 6 0 3 1 5 2 2 4 9 0 9 3 5 4 8 1 7 10 9 8 0 0 1 4 5 3 8 2 4 10
5 1 1 3 4 5 2 3 5 4 1 2 0 3 3 4 1 4 1 5 0 5 5 0 6 1 0 2 4 3 2 2 0 2 0 6 5 5 1 4 2 4 5 6 0
1 2 2 4 4 0 2 5 2 2 4 0 4 6 4 5 2 6 4 6 0 6 3 2 2 0 2 6 5 4 2 6 4 0 2 4 2 4 4 6 4 6 0 4 0 2
20 35.35 35.68 35.79 35.93 35.93 36.08 36.29 37.01 37.26 37.34 37.46 37.62 37.89 38.04 38.12 38.16 38.47 38.50 38.70 38.76 38.80 38.84 38.87 39.04 39.49 39.62 39.91 39.95 40.06 40.40 40.41 40.53 41.13 41.30 41.55 41.56 41.60 41.81 41.98 42.00 42.13 42.22 42.44 42.93 43.13
d 2.539 2.516 2.509 2.500 2.499 2.489 2.476 2.429 2.413 2.408 2.401 2.391 2.375 2.365 2.361 2.358 2.340 2.339 2.327 2.323 2.321 2.319 2.317 2.307 2.282 2.275 2.259 2.256 2.251 2.233 2.232 2.225 2.194 2.186 2.173 2.173 2.171 2.160 2.152 2.151 2.145 2.141 2.130 2.107 2.097
AJ Ire1 8 8 8 8 4 8 8 8 8 8 4 8 2 8 8 8 4 8 8 4 4 8 8 4 2 8 4 8 8 8 8 8 2 8 4 4 4 8 8 8 8 4 8 4 4
0.1 0.4 2.8 2.0 3.3 1.5 0.1 0.4 0.7 0.8 1.6 1.2 1.1 0.3 0.1 5.6 2.4 2.5 0.3 0.1 0.2 0.1 0.2 0.3 1.7 0.3 1.8 0.2 0.1 1.1 1.5 0.3 0.2 3.5 0.3 0.4 0.1 0.1 0.1 0.8 0.8 0.2 1.0 1.2 0.6
Tetrapropylammonium
SAPO-40
-0
r
-J
-0
Zeolites
16:323-602,
1996
357
AFS
Di-n-propylamine
COMPOSITION:
(MgsAl22PzsSizOll2).8(C3H7)2NH.l4H20
CRYSTAL
P3cl (No. 158) a = 13.2251 A b = 13.2251 p = 90” 05= 90”
DATA:
REFERENCE:
hkl 0 0 2 1 0 0 0 1 2 1 0 1 1 1 0 1 1 1 0
0 2 1 2 1 1 1 2 1 2 1 0 3 2
0 2 1 2
0 0 1 1 1 1 0 1 1 0 2 1 2 1 0 1 2 1 2 1 1 3
0 3 2
358
7.72 10.15 10.15 13.17 13.39 13.79 14.93 15.28 15.28 16.66 18.82 19.81 20.37 20.52 20.78 20.78 21.29 21.29 21.57 21.57 22.81 22.81 23.99 24.23 24.23 24.46 25.23 25.23 26.43 26.43 26.52 26.84 26.85 26.85
0 2
0 26.97
1 2
0 2 1
0 0 1
20 6.57
2 4 0 1 2 4 4 3 4 6 4 0 1 1 6 5 2 2 3 3 6 2 2 4 6 6 5 5 8 7 4 4
0
1 3
Zeolites
MAPS0-46
d 13.446 11.453 8.719 8.719 6.723 6.613 6.421 5.934 5.798 5.798 5.321 4.714 4.482 4.360 4.329 4.274 4.274 4.174 4.173 4.121 4.121 3.898 3.898 3.710 3.673 3.673 3.640
3.529 3.529 3.372 3.372 3.361 3.322 3.320 3.320 3.306
16:323-802,
A c=
26.8922 y = 120”
A
J. M. Bennett and B. K. Marcus, In “Innovations in Zeolite Material Science (Stud. Surf. Sci. Catal. No. 37)“, Grobet, P. J., Mortier, W. J., Vansant, E. F., Schulz-Ekloff, G., Eds. Elsevier: Amsterdam; pp. 269-279 (1987). And J. M. Bennett. Private Communication.
A4
I rel
h
k
1
20
d
2 6 6 6 2 6 12 12 6 6 12 12 2 6 12 12 12 6 12 12 12 12 12 12 6 6 12 6 6 12 12 2 12 6 6 6
13.6 100.0 0.1 0.2 7.8 0.2 3.4 5.4 1.6 2.2
2 2 1 3 1 2 2 1 3 1 1 3 2 0 3
2 2 3 1 2 1 2 3 1 1 3 1 2 3
27.17
3.282 3.211 3.155 3.155 3.114 3.114 3.102 3.091 3.091
0
2
2 1 2 1 3 4 2 4 1 2
0 2 1 3 1
1 2 1 1 6 6 3 2 2 8 3 3 4 6 6 8 8 7 7 4 4
0
0
2
5 2 9 6 4 4
1996
9.2 0.1 4.4 0.5 2.5 0.1 0.6 1.0 2.0 3.6 6.7 5.3 1.4 3.2 1.4 2.1 0.6 0.5 0.2 0.5 0.3 0.5 5.7 0.7 0.3
0.9
0 4 3 2 3 3 2 4 1 1
0
0 1 2 4
0 2 3 2 1 2 1 1 2
0 1 1 6 7 0 10 9
27.79 28.29 28.29 28.67 28.67 28.78 28.88 28.88
29.82 2.997 29.84 2.994 29.84 2.994 30.12 2.967 30.76 2.906 30.76 2.906 30.84 2.899 30.84 2.899 31.12 31.12 31.14 31.14 31.24 31.77 31.96 32.89 33.68 34.03 34.03 34.12 34.29 34.29 34.61 35.83 35.93 36.05 36.54
2.873 2.873 2.872 2.872 2.863 2.817 2.800 2.723 2.661 2.634 2.634 2.628 2.615 2.615
2.592 2.506 2.499 2.491
2.459
A4 Ire,
h
k
12 12 12 12 12 12 12 12 12 12 12 12 12 6 6 6 6 12 12 12 12 6 12 6 12 12 6 6 12 12 12 12 12 12 12 12
2 2 4 1 5 2 3 4
1 0
0.2 2.2 0.6 0.5 0.6
0.9 4.4 0.3 0.1 0.6 0.3 0.8 1.0 0.3 0.2 0.5 0.5 0.7 0.7 0.6 0.3 1.1 0.8 0.1 1.8 0.2 0.2 0.3 0.2 0.6 0.7 0.1 0.4 1.7 0.1 0.5
0 4
0 3 2 1
0
0
2 3 13 2 4 1 1 4 2 2 2 3 5 1 5 3 3 1 3 3 6 1 2 1 3
2 3 4 2 1 4 1
0 2 3 2 1 5 1 3 3 1 1 3 0 2 1 1 3
1 9 10 6 3 0 6 6 5 12
9 1 9 2 2 12 7 7 12 10
8 8 0 1 1
5 6 13 11 7 0 13 13 14 8
28 36.54 36.93 37.26 37.35 39.33
39.76 39.76 39.77 40.24 40.70 41.09 41.49
42.29 42.29 42.60 43.18 43.18 43.36 43.37 43.73 43.73 44.02 44.15 44.15 44.42 45.88 45.97 46.89 47.56 47.64 48.79 48.79 49.41 49.45
d
M
Ire,
2.459
12 6 6 12 6 12 12 12 2 12 12 12 12 12 12 12 12 6 12 12 12 12 12 12 12 12 12 12 12 6 12 12 12 12
0.7 0.1 0.2 0.1 0.1 0.1 0.1 0.2 0.1
2.434 2.413 2.408 2.291 2.267 2.267 2.266 2.241 2.217 2.197 2.176 2.137 2.137 2.122
2.095 2.095 2.087 2.086 2.070 2.070 2.057 2.051 2.051 2.040 1.978 1.974 1.937 1.912 1.909 1.867 1.867 1.845 1.843
0.7 0.5 0.1 0.2 0.1 0.2 0.1 0.1 0.1 0.1 0.2 0.3 0.8 0.2 0.2 0.2 0.2 0.6 0.1 0.1 0.5 0.2 0.3 0.2 0.2
Di-n-propylamine
AFS
MAPSO-
-4
Zeolites
16:323-602,
,
1996
369
AFT
Calcined,
COMPOSITION: CRYSTAL
partially
DATA:
P3lc
(No.
163) b = 13.715 A p = 90”
a = 90” REFERENCE:
k
1
0 0 0 1 0 0 0 0 0 0 0 1 -1 1 -1 1 -1 -1 0 0 1 -1 -1 0 0 2 0 1 1 -1 0
1 1 1 1 2 2 1 2 0 2 2 3 2 3 2 3 2 1 3 2 3 3 1 2 2 3 3 3 4 1
360
1 1 2 3 0 4 1 2 5 3 6 4 1 1 2 2 3 3 6 7 0 4 4 5 8 7 0 5 1 2 2 9
28 8.02 9.54 11.64 12.91 14.07 15.21 16.07 16.70 17.42 17.93 19.14 20.00 20.00 20.67 20.67 21.74 21.74 22.16 22.26 22.46 23.16 23.16 24.87 25.15 25.82 25.99 27.07 27.24 27.74 27.74 28.08
Zeolites
d 11.027 9.273 7.601 6.858 6.292 5.823 5.514 5.309 5.092 4.946 4.636 4.439 4.439 4.297 4.297 4.088 4.088 4.011 3.993 3.959 3.841 3.841 3.580 3.541 3.451 3.429 3.294 3.274 3.216 3.216 3.177
AIP04-52
(A1&‘360144).&I20
a = 13.715 A
h
rehydrated
c = 29.676 ii y = 120”
N. K. McGuire, C. A. Bateman, C. S. Blackwell, S. T. Wilson and R. M. Kirchner, Zeolites 15, 460-469 (1995).
M
IreI
hk
12 12 12 6 12 12 12 12 12 2 12 12 12 12 12 12 12 6 12 6 12 12 12 12 12 6 12 12 12 12 12
69.6 100.0 36.5 41.0 3.3 4.8 11.2 0.2 5.8 17.7 1.2 7.2 4.9 15.5 6.9 9.7 3.1 2.1 2.5 1.6 1.9 0.1 0.3 7.2 0.1 13.6 0.1 0.4 0.9 0.3 6.9
2 3 4 3 2 3 4 4 4 2 4 1 2 3 4 2 4 4 3 5 2 3 2 1 3 5 4 4 5 5 2
16:323-902,1996
126’ 0 1 -1 0 1 -1 -1 0 0 0 -1 0 1 -1 0 2 -2 0 2 -2 1 -1 0 0 2 -2 1 1 -2 -2 1
8 3 3 6 7 7 4 1 2 9 5 10 8 8 3 6 6 4 2 2 9 9 10 11 3 3 0 1 4 5 10
28.37 28.56 28.56 28.89 28.97 28.97 29.67 30.25 30.71 31.02 31.05 31.06 31.28 31.28 31.45 31.75 31.75 32.48 33.43 33.43 33.73 33.73 33.76 34.08 34.13 34.13 34.61 34.74 35.08 36.28 36.29
d 3.146 3.126 3.126 3.091 3.082 3.082 3.011 2.955 2.912 2.883 2.880 2.879 2.860 2.860 2.844 2.818 2.818 2.757 2.680 2.680 2.658 2.658 2.655 2.631 2.627 2.627 2.592 2.582 2.558 2.476 2.476
J‘f
IreI
12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 6 6 12 12 12 12 12 12 12 12 12 12 12 12 12 12
0.9 0.5 0.9 0.2 0.5 1.2 0.5 5.3 9.5 0.7 0.1 3.1 1.4 3.3 5.5 0.3 1.0 1.2 0.5 0.2 1.9 3.2 0.6 0.4 0.4 0.4 5.4 0.1 0.2 0.1 0.8
hk 3 4 5 *5 4 3 r I 5 4 5 4 6 4 4 3 3 6 5 4 6 1 4 4 7 5 6 5 2 5 1
1 -1 0 -1 0 0 -1 0 3 0 0 0 2 -2 2 0 0 3 -3 0 0 0 0 3 3 -3 0 -2 2 0 0 0
10 7 5 2 8 11 3 0 4 9 5 4 4 5 10 12 6 6 8 11 0 15 1 2 2 9 8 0 15 10 16
28
d
A4
IreI
36.29 36.96 37.88 38.37 38.85 38.95 38.99 39.42 39.85 40.90 40.92 42.05 42.05 43.08 43.09 43.13 43.62 43.62 45.33 45.42 45.84 46.54 46.61 46.93 46.93 47.15 47.33 47.82 48.50 49.13 49.75
2.476 2.432 2.375 2.346 2.318 2.312 2.310 2.286 2.262 2.206 2.205 2.149 2.149 2.099 2.099 2.098 2.075 2.075 2.001 1.997 1.980 1.951 1.948 1.936 1.936 1.927 1.920 1.902 1.877 1.855 1.832
12 12 12 12 12 12 12 6 12 12 12 12 12 12 12 12 6 6 12 12 6 12 12 12 12 12 12 12 12 12 12
1.1 0.1 0.1 0.4 0.3 0.1 1.0 0.3 1.3 0.6 0.4 0.1 0.1 0.1 0.5 1.2 1.0 1.8 0.2 0.3 0.2 0.6 0.2 0.6 0.1 1.3 0.1 2.0 0.1 1.6 0.4
Calcined,
partially
rehydrated
AlPOd -52
Zeolites
16:323-802,
1996
361
AFX
SAP&56 COMPOSITION:
Si5A123P20096:
CRYSTAL
P%c (No. 163) a = 13.7617 A b = 13.76 1 7 A a! = 90” p = 90”
DATA:
REFERENCE:
h
k
1
29
1 1 1 1 2 1 2 2 0 1 2 2 2 3 2 3 1 3 1 2 3 2 2 3 2 4 1
0 0 0 1 0 0 0 0 0 0 1 0 1 -1 1 -1 1 0 0 1 -1 2 1 -1 0 -1 0
0 1 2 0 0 3 1 2 4 4 0 3 1 1 2 2 4 0 5 3 3 0 4 4 5 1 6
7.42 8.64 11.57 12.87 14.87 15.26 15.52 17.33 17.78 19.29 19.71 20.01 20.21 20.21 21.65 21.65 22.01 22.38 23.51 23.86 23.86 25.90 26.67 26.67 26.89 27.35 27.86
362
Zeolites
d 11.918 10.231 7.649 6.881 5.959 5.807 5.710 5.116 4.987 4.601 4.505 4.438 4.394 4.394 4.105 4.105 4.038 3.973 3.783 3.729 3.729 3.440 3.343 3.343 3.315 3.261 3.203
16:323-802,
c = 19.949 A y = 120”
N. K. McGuire, C. S. Blackwell, C. A. Bateman, and R. M. Kirchner, Private communication.
M
Ire1
hkl
6 12 12 6 6 12 12 12 2 12 12 12 12 12 12 12 6 6 12 12 12 6 12 12 12 12 12
30.0 100.0 54.0 43.2 1.4 0.2 8.0 8.7 19.1 1.5 4.4 0.8 7.3 14.8 3.8 15.7 1.5 2.5 4.7 0.1 0.3 12.6 0.8 0.4 0.3 0.7 11.9
3 4 3 3 2 4 3 4 4 2 4 2 4 1 4 2 3 3 5 4 2 3 5 4 2 3 4
1996
1 -1 0 -1 1 0 1 -1 0 0 0 2 -2 0 0 1 -1 2 -2 1 0 2 -2 1 1 -1 0
2 2 4 5 5 0 3 3 1 6 2 4 4 7 3 6 6 2 2 0 7 3 3 3 7 7 5
28
d
28.45 28.45 28.73 29.92 29.92 29.99 30.19 30.19 30.33 30.79 31.33 31.59 31.59 32.30 32.94 33.50 33.50 34.00 34.00 34.49 34.90 35.50 35.50 37.12 37.34 37.34 37.68
3.138 3.138 3.107 2.987 2.987 2.980 2.960 2.960 2.947 2.903 2.855 2.832 2.832 2.772 2.719 2.675 2.675 2.637 2.637 2.601 2.571 2.529 2.529 2.422 2.408 2.408 2.387
M 12 12 12 12 12 6 12 12 12 12 12 6 6 12 12 12 12 12 12 12 12 12 12 12 12 12 12
IreI 1.2 0.9 0.2 1.1 2.6 2.0 0.5 0.1 10.3 1.8 9.0 0.9 0.2 1.4 0.3 4.0 3.9 1.0 0.2 4.6 0.4 0.5 0.2 0.2 0.6 0.2 0.2
S. T. Wilson
h
k
5 2 5 3 5 6 4 4 6 4 5 3 6 3 6 4 4 6 1 7 5 4 7 5 5 2 5
0 -1 0 3 0 -2 0 2 -2 1 -1 0 -1 3 -3 0 -2 0 0 -3 0 3 -3 -1 2 0 0
1
28
1 38.02 8 38.39 2 38.84 0 39.28 3 40.19 1 40.30 6 40.66 2 41.08 2 41.08 5 41.44 5 41.44 8 42.82 2 43.23 4 43.42 4 43.42 7 43.96 8 44.89 0 45.67 10 46.13 1 46.58 6 46.90 2 47.28 2 47.28 7 47.32 0 47.65 10 48.10 7 49.88
d
M
Ire,
2.367 2.344 2.318 2.294 2.244 2.238 2.219 2.197 2.197 2.179 2.179 2.112 2.093 2.084 2.084 2.059 2.019 1.986 1.967 1.950 1.937 1.923 1.923 1.921 1.908 1.892 1.828
12 6 12 6 12 12 12 12 12 12 12 12 12 6 6 12 6 6 12 12 12 12 12 12 12 12 12
0.1 0.3 1.7 0.4 1.1 0.2 1.2 0.1 0.2 0.1 0.2 1.1 0.3 1.6 1.0 0.4 0.2 0.1 0.9 0.4 2.4 0.3 0.1 0.2 2.6 0.2 1.7
AFX
SAP04-56
Zeolites
16:323-602,
1996
363
AFY
Di-n-propylamine
CRYSTAL
DATA:
P3 (No. 147) a = ‘12.7468 ‘A a = 90”
REFERENCE:
hkl 0 0 0 1 0 2 1 2 1 3 3 1 2 0 0 2 0 3 3 3 1 3 0 4 0 4 4
26’ 1 0 0 1 1 1 1 0 2 0 -1 1 2 0 1 0 2 1 -2 1 -1 1 1 2 -1 2 3 0 2 2 0 2 3 1 0 1 -2 2 -1 2 3 0 1 0 0 3 -2 1 1 3 -3 1 -1 1
364
8.01 9.81 12.68 13.89 16.06 17.04 21.29 21.29 23.49 23.49 23.49 24.18 24.18 24.19 25.51 25.51 26.16 26.16 29.16 29.16 29.17 29.17 29.73 29.73 30.84 30.84 30.84
Zeolites
d 11.039 9.015 6.983 6.373 5.519 5.204 4.172 4.172 3.786 3.786 3.786 3.680 3.680 3.680 3.491 3.491 3.407 3.407 3.062 3.062 3.062 3.062 3.005 3.005 2.900 2.899 2.899
16:323-802,
CoAPO-50
b = 12.7468 A p = 90”
c = 9.0153 A y = 120”
J. M. Bennett and B. K. Marcus, In “Innovations in Zeolite Material Science (Stud. Surf. Sci. Catal. No. 37)“, Grobet, P. J., Mortier, W. J., Vansant, E. F., Schulz-Ekloff, G. Eds. Elsevier: Amsterdam; pp. 269-279 (1987). and J. M. Bennett, Private Communication.
k?
I l-4
6 2 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 2 6 6 6 6
100.0 8.8 5.1 2.8 1.2 3.1 0.2 0.5 0.3 9.5 12.5 1.3 19.4 3.6 0.5 3.1 3.0 4.4 3.6 0.4 0.7 0.4 0.3 9.2 0.2 2.1 1.5
1996
h 0 3 0 1 2 0 2 0 4 2 4 4 4 2 1 2 3 1 4 4 1 4 5 5 0 5 0
k 3 0 4 1 -1 2 0 4 0 2 -2 -3 -1 3 2 1 2 4 1 0 4 1 -4 -1 1 -2 5
1 2 2 0 3 3 3 3 1 1 2 2 2 2 0 3 3 1 0 0 2 1 1 1 1 4 2 0
28 31.38 31.38 32.44 32.95 32.95 33.97 33.97 33.97 33.97 34.47 34.47 35.44 35.44 35.44 36.86 36.86 36.86 37.33 37.33 38.24 38.69 38.69 38.69 38.69 40.86 40.87 40.87
d 2.850 2.850 2.760 2.718 2.718 2.639 2.639 2.639 2.639 2.602 2.602 2.533 2.533 2.533 2.439 2.439 2.438 2.409 2.409 2.354 2.327 2.327 2.327 2.327 2.208 2.208 2.208
M 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6
IreI
hskl
1.6 1.7 0.2 3.2 0.1 0.9 0.3 1.1 0.1 0.6 0.4 0.3 0.8 0.2 0.7 0.4 0.2 1.3 1.9 0.3 0.2 0.3 0.2 0.1 0.3 0.1 0.1
2 4 0 1 2 5 3 2 4 4 4 6 1 0 5 1 5 3 5 5 3 6 5 2 0
2 -2 5 1 -1 -4 3 0 2 0 2 -4 2 5 0 5 1 2 -3 -2 3 -3 -1 2 6
3 3 1 4 4 2 0 4 0 3 1 1 4 2 2 0 0 3 3 3 2 2 3 4 0
20
d
41.29 41.29 42.14 42.54 42.54 42.55 42.55 43.36 43.37 44.58 44.58 44.58 45.75 45.76 45.76 45.76 45.76 46.92 46.92 46.92 47.30 47.30 48.43 49.54 49.54
2.186 2.186 2.144 2.125 2.125 2.125 2.124 2.087 2.086 2.033 2.033 2.033 1.983 1.983 1.983 1.983 1.983 1.937 1.937 1.937 1.922 1.922 1.880 1.840 1.840
-bl Ire, 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6
1.7 0.2 0.3 0.5 0.2 0.3 0.5 0.3 0.5 0.1 0.2 0.5 0.5 0.2 0.3 0.4 0.3 0.2 0.8 0.5 0.6 0.5 0.4 0.8 2.2
Di-n-propylamine
AFY
CoAPO-50
Zeolites
16:323-902,
1996
365
AHT
AlPOd - H2 COMPOSITION:
(A16P60z4)
CRYSTAL
P1121 (No. 4) unique axis c b = 9.914 A a = 9.486 A p = 90” cy = 90”
DATA:
REFERENCE:
h 0 1 1 0 1 1 1 1 2 1 020 1 2 0 2 0 2 0 1 1 2 1 2 1 1 1 2 2 3 1 2 0 2 1 3 2 3 202 030 3
366
k 10 -1 0 1 -1 01 -2 10 -1 -2
0 0 1 1 0 0 1
11 -1 0 0 21 -2 12 -1 0 01 -3 -3 -2 2 1 -1 1 -1 -3 -3 2 -2 2 -2 1 -1
0 0 2 0 2 2 0 0 1 1 2 2 1 1 1 1
-3
0
1 2 0 1 2 2
28
d
hl
Id
8.454 8.452 8.089 5.859 5.858 5.733 4.957 4.738 4.737 4.232 4.227 4.093 4.092 4.063 4.045 3.750 3.749 3.662 3.662 3.631 3.621 3.238 3.238 3.142 3.134 3.084 3.084 3.076 3.076 3.008 3.008 2.929 2.929 2.924 2.924 2.877 2.877 2.866 2.818 2.817
2 2 2 4 4
77.2 100.0 0.3 15.6 6.9 1.3 16.0 7.3 3.3 6.8 0.5 18.9 13.3 70.9 8.8 28.7 18.8 25.3 20.5 7.1 0.7 15.5 19.2 14.0 0.9 9.6 12.6 25.8 20.2 2.6 10.6 2.9 3.1 1.7 2.1 3.2 5.9 7.3 8.8 11.8
Zeolites
16:323-802,
c = 8.126 A y = 121.49”
J. B. Higgins, Private Communication.
10.46 10.47 10.94 15.12 15.12 15.46 17.89 18.73 18.73 20.99 21.02 21.71 21.72 21.87 21.98 23.73 23.73 24.30 24.31 24.52 24.59 27.55 27.55 28.40 28.48 28.95 28.95 29.03 29.03 29.70 29.70 30.52 30.52 30.57 30.58 31.09 31.09 31.20 31.75 31.76
1
.4HzO
2 2 2 2 4
4 2 2 4 2 4 4 2 2 4 4 4 4
1996
h 3 0 3 0 1 1 3 1 2 1 3 2 2 3 1 2 1 4 1 2 0 3 1 4 0 2 1 3 2 4 4 2 302 1 4 3 4 2 0 4
k 00 3 -3 1 -1 0 01 -3 -3 2 -2 -4 1 -1 -2 -4 -4 -2 1 -1 3 -3 3 -3 23 -2 -4 -4 2 -2 -1 03
1 1 1 3 3 3 2 2 2 2 0 2 2 3 1 0 0 3 3 2 2 0 0 3 1 1 1 1 0
3 1 -3 1 11 -1 1 -4 2 40 -4 0
28
d
33.23 33.66 33.67 34.78 34.78 34.93 35.06 35.45 35.45 36.20 36.20 36.24 36.64 36.64 37.85 37.95 37.97 37.99 38.28 38.28 38.89 38.90 38.95 38.96 39.51 39.52 39.61 39.62 39.63 39.64 40.06 40.06 40.14 40.56 40.57 41.63 41.64 42.73 42.78 42.79
2.696 2.662 2.662 2.579 2.579 2.568 2.559 2.532 2.532 2.482 2.481 2.478 2.453 2.452 2.377 2.371 2.370 2.368 2.351 2.351 2.316 2.315 2.312 2.312 2.281 2.280 2.275 2.275 2.274 2.274 2.251 2.251 2.247 2.224 2.223 2.169 2.169 2.116 2.113 2.113
h!l
I rel
h
k
2 4 4 4 4
20.3 4.6 5.1 2.0 0.9 0.9 0.5 1.9 3.0 1.5 1.9 0.9 1.8 3.8 1.9 1.2 0.4 0.4 7.8 1.4 0.2 1.4 0.3 1.4 0.3 4.4 0.8 1.5 1.1 0.8 0.2 0.7 0.3 0.8 0.8 1.9 0.9 0.4 0.2 0.3
1 2 1 3 1 2 4
-3 -3 2 -2 -4 2 -2 4 -4 1 -1
3 3 3 3 2 2 2 1 1 3 3
3 1 -1 0 1 -1 -5 0 33 -3 -5 -5 -3 -2
2 4 4 4 2 2 0 1 3 1 1 0 4
-4 1 -1 3 -3
2 4 4 1 1
-2 -4 4 2 -4 -2
4 3 0 1 0 1
4 4 4
4 4 2 2 4 4 4 4 4 4 2 4 4 4 4 4 4 4 2 2
0 4 2 3 004 1 0 1 1 3 4 2 4 0 3 2 3 5 1 042 4 1 2 2 5 024 2 2 1 3 5 5
1
20
d
l+l
Ire1
43.56 43.56 44.19 44.20 44.24 44.26 44.27 44.28 44.29 44.57 44.57 44.60 45.11 45.94 45.94 46.07 46.10 46.10 46.12 46.26 46.50 46.51 47.53 47.54 48.04 48.42 48.55 48.56 48.77 48.77 49.40 49.42 49.80 49.80 49.87 49.98 49.98 49.99 49.99
2.078 2.078 2.049 2.049 2.047 2.046 2.046 2.045 2.045 2.033 2.033 2.032 2.010 1.975 1.975 1.970 1.969 1.969 1.968 1.962 1.953 1.953 1.913 1.913 1.894 1.880 1.875 1.875 1.867 1.867 1.845 1.844 1.831 1.831 1.829 1.825 1.825 1.825 1.825
4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 2 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 2 4 2 4
1.1 0.5 0.7 0.2 0.2 0.9 0.8 0.6 0.4 0.2 0.2 5.9 0.8 1.4 0.7 1.3 0.3 1.0 0.2 0.2 0.8 0.3 1.5 1.3 0.6 2.8 0.5 1.4 2.2 2.1 4.7 1.0 3.3 2.0 0.3 4.0 3.0 1.9 1.4
AHT
AlPOd -H2
----:I Zeolites
16:323-902,
1996
367
ANA
Analcime
COMPOSITION:
Na16(Si32A116096).16H20 Cyclopean Islands, Greece.
CRYSTAL
Ia3d (No. 230) a = 13.73 A h = 13.73 A cy = 90” p = 90”
DATA:
REFERENCE:
2 2 3 4 3 4 4
368
1 2 2 0 3 2 3
1 0 1 0 2 2 1
G. Ferraris: D. W. Jones and J. Yerkess: Z. Kristallogr., 135, 240-252 (1972).
20
d
Al
IreI
hkl
15.81 18.28 24.25 25.96 30.54 31.93 33.27
5.605 4.854 3.670 3.432 2.927 2.803 2.693
24 12 48 6 24 24 48
60.2 14.1 5.4 100.0 51.3 5.5 14.8
5 4 5 6 6 5 6
hkl
Zeolites
16:323-802,
c = 13.73 A y = 90”
1996
28 2 4 3 1 2 4 3
1 0 2 1 0 1 1
35.82 37.04 40.50 40.50 41.60 42.68 44.77
d 2.507 2.427 2.227 2.227 2.171 2.119 2.024
i-M
IreI
hkl
48 12 48 24 24 48 48
11.9 7.7 5.5 2.8 1.0 0.9 1.3
4 5 6 5 6 7 6
26’ 4 4 4 5 3 2 4
4 3 0 2 3 1 2
45.78 46.78 47.77 48.74 48.74 48.74 49.69
d
Aff
Ire1
1.982 1.942 1.904 1.868 1.868 1.868 1.835
8 48 24 24 24 48 48
0.4 0.7 14.9 0.2 6.9 2.3 0.4
ANA
Analcime
/I --=-A
Zeolites
16:323-802,
1996
369
APC
Hydrated
COMPOSITION:
(~h&6064)~~~~20
CRYSTAL
Pbca (No. 61) a = 19.3525 ii cl! = 90”
DATA:
REFERENCE:
hkl 2 2 1 2 0 0 4 1 3 2 0 2 4 1 1 2 4 3 3 0 4 4 1 5 2 4 6 2 6 1 1 5 2 2 6 5 5 3 3 0 4 6 6 1
370
0 1 1 1 0 2 0 0 1 0 2 2 1 1 2 1 1 1 2 2 0 2 2 1 2 1 0 3 1 1 3 0 1 3 1 1 2 1 3 2 3 0 2 2
0 0 1 1 2 0 0 2 1 2 1 0 0 2 1 2 1 2 1 2 2 0 2 1 2 2 0 0 0 3 1 2 3 1 1 2 1 3 1 3 0 2 0 3
20
d
M
I El
9.676 6.860 6.491 5.613 4.881 4.864 4.838 4.733 4.709 4.358 4.353 4.346 4.332 4.256 4.247 3.977 3.960 3.614 3.609 3.445 3.436 3.430 3.392 3.375 3.246 3.240 3.225 3.074 3.061 3.047 3.039 3.033 2.940 2.932 2.921 2.895 2.892 2.784 2.777 2.704 2.693 2.691 2.688 2.679
2 4 8 8 2 2 2 4 8 4 4 4 4 8 8 8 8 8 8 4 4 4 8 8 8 8 2 4 4 8 8 4 8 8 8 8 8 8 8 4 4 4 4 8
45.5 100.0 79.8 7.1 30.8 0.1 42.4 0.2 0.7 0.7 0.2 0.8 3.3 21.0 54.6 1.9 2.0 3.5 6.4 5.4 1.3 0.2 34.8 5.9 0.4 0.2 0.3 10.2 59.8 24.1 1.1 0.6 0.8 11.8 5.7 2.3 12.7 1.6 10.2 0.1 0.6 0.2 1.0 35.8
16:323-802,
b = 9.7272 A p = 90”
J. J. Pluth and J. V. Smith, Acta Cryst. C42, 1118-1120
9.14 12.90 13.64 15.79 18.17 18.24 18.34 18.75 18.84 20.38 20.40 20.44 20.50 20.87 20.92 22.35 22.45 24.63 24.67 25.86 25.93 25.98 26.27 26.41 27.48 27.53 27.66 29.04 29.17 29.31 29.39 29.45 30.40 30.48 30.60 30.88 30.91 32.15 32.23 33.12 33.26 33.29 33.33 33.45
Zeolites
AlPOd-C
1996
h k 2 4 2 4 6 5 7 3 3 0 0 1 8 5 5 7 2 4 0 2 4 6 1 8 1 7 2 2 6 3 8 1 2 6 6 3 5 3 5 0 4 0 4 1
2 1 3 3 1 2 1 2 3 0 4 0 0 1 3 0 0 2 4 4 3 2 1 1 4 2 1 4 3 0 1 3 3 1 3 1 2 4 3 2 0 4 4 2
c = 9.7621 A y = 90”
(1986).
1
20
d
M
IreI
3 3 2 1 2 2 1 3 2 4 0 4 0 3 1 2 4 3 1 0 2 2 4 0 1 1 4 1 0 4 1 3 3 3 1 4 3 1 2 4 4 2 0 4
34.43 34.47 34.48 34.54 34.58 34.86 34.97 36.01 36.05 36.83 36.96 37.13 37.17 37.26 37.33 37.38 38.02 38.12 38.14 38.16 38.16 38.22 38.31 38.34 38.43 38.58 39.18 39.30 39.40 39.48 39.48 39.51 40.36 40.45 40.52 40.60 40.70 40.71 40.74 41.39 41.44 41.49 41.56 41.67
2.605 2.602 2.601 2.597 2.594 2.573 2.566 2.494 2.491 2.441 2.432 2.421 2.419 2.413 2.409 2.406 2.366 2.361 2.360 2.359 2.358 2.355 2.350 2.348 2.342 2.334 2.299 2.293 2.287 2.283 2.283 2.281 2.235 2.230 2.226 2.222 2.217 2.216 2.215 2.181 2.179 2.177 2.173 2.168
8 8 8 8 8 8 8 8 8 2 2 4 2 8 8 4 4 8 4 4 8 8 8 4 8 8 8 8 4 4 8 8 8 8 8 8 8 8 8 4 4 4 4 8
0.4 1.8 1.1 0.1 0.5 1.9 4.9 0.8 0.8 1.9 0.9 3.4 0.5 3.4 0.6 2.5 0.1 0.1 2.5 2.7 0.7 0.4 1.8 0.4 0.7 0.2 0.1 1.9 3.5 0.8 0.2 0.4 0.2 0.2 0.9 1.7 0.7 2.0 0.5 1.4 1.6 0.8 0.4 1.3
hkl 8 8 3 1 7 2 4 2 8 4 3 7 7 9 5 4 4 8 5 0 6 1 1 7 7 9 9 2 2 6 1 6 8 8 5 1 10 5 2 6 3 3 3
20 0 2 2 0 3 3 4 2 2 2 2 4 1 4 4 2 2 1 3 3 2 4 1 3 3 1 1 1 1 4 2 4 4 2 2 2 3 3 3 3 4 0 3 4 4 3 2 3 3 2 1 2 2 1 3 4 4 3 1 4 1 5 4 1 1 3 3 1 2 4 5 1 1 0 4 2 5 1 3 3 4 3 1 5 5 1
41.67 41.70 41.74 41.76 41.90 42.48 42.51 42.57 42.76 43.62 43.81 43.97 44.03 44.12 44.88 45.62 45.71 45.83 45.94 46.63 46.78 46.83 46.88 47.00 47.04 47.12 47.14 47.57 47.62 47.65 47.74 47.76 47.77 47.83 47.87 47.91 47.93 47.95 48.64 48.67 48.84 49.68 49.84
d 2.168 2.166 2.164 2.163 2.156 2.128 2.126 2.124 2.114 2.075 2.066 2.059 2.057 2.053 2.019 1.988 1.985 1.980 1.975 1.948 1.942 1.940 1.938 1.933 1.932 1.929 1.928 1.912 1.910 1.908 1.905 1.904 1.904 1.902 1.900 1.899 1.898 1.897 1.872 1.871 1.865 1.835 1.830
4 4 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 8 8 8 8 8 8
1.8 4.6 1.5 0.9 3.8 1.3 1.6 0.6 1.0 0.8 1.2 1.5 1.0 0.4 0.3 0.5 1.0 0.1 0.7 1.9 0.4 0.7 1.2 0.3 3.1 0.7 1.0 0.8 0.3 0.5 3.4 0.8 0.2 0.4 0.7 0.2 4.8 0.1 0.3 1.0 3.2 0.1 0.3
Hydrated
AlPOd -C
Zeolites
16:323-802,
1996
371
APC
Dehydrated
COMPOSITION:
A116P16064
CRYSTAL
Pbca (No. 61) a = 19.816 A cy = 90”
DATA:
REFERENCE:
h
k
2 1 2 0 4 3 0 1 1 2 1 4 2 3 5 0 4 1 4 2 2 4 6 1 2 5 6 5 5 1 4
1 1 1 2 0 1 0 0 2 2 1 1 1 1 1 2 0 2 2 3 2 1 1 3 3 0 1 2 1 1 2
372
1 0 1 1 0 0 1 2 2 1 1 2 1 2 2 1 2 2 2 1 0 2 2 0 1 1 2 1 1 2 3 2
AlPOd-C
b = 10.047 A p = 90”
c = 8.935 8, y = 90”
E. B. Keller, W. M. Meier and R. M Solid State Ionics 43, 93-102 (1990).
20
d
M
I rel
h
k
1
20
d
M
Ire1
12.55 14.00 16.01 17.65 17.90 18.90 19.87 20.38 20.77 22.19 22.23 22.35 23.57 25.65 26.15 26.70 26.87 27.09 27.18 28.13 28.21 28.33 28.45 28.82 29.88 30.14 30.19 30.42 31.46 31.66 32.34
7.055 6.327 5.537 5.024 4.954 4.696 4.468 4.358 4.276 4.005 3.998 3.978 3.774 3.473 3.408 3.338 3.318 3.292 3.281 3.173 3.164 3.150 3.138 3.097 2.990 2.965 2.960 2.938 2.843 2.826 2.768
4 8 8 2 2 8 2 4 8 8 8 8 8 8 8 4 4 8 8 4 8 8 4 8 8 4 8 8 8 8 8
100.0 37.6 8.8 3.0 40.4 0.8 39.2 4.0 27.4 4.2 8.0 1.9 5.9 0.1 4.9 4.2 2.9 6.3 0.2 8.1 1.6 0.3 26.1 3.3 5.2 0.4 2.8 5.5 2.3 5.1 0.2
2 1 6 3 7 2 6 0 5 1 0 3 5 0 7 3 7 4 6 7 5 6 3 4 0 8 5 1 0 2 1
1 3 2 1 1 3 1 2 2 2 4 3 3 4 0 2 2 3 3 1 1 3 4 4 0 2 3 0 4 0 4
3 2 1 3 1 2 2 3 2 3 0 2 1 1 2 3 1 2 0 2 3 1 1 0 4 0 2 4 2 4 2
32.63 33.75 34.00 34.21 34.41 34.68 34.94 35.02 35.15 35.33 35.75 36.17 36.54 37.18 37.61 37.66 37.84 38.18 38.27 38.71 38.87 39.63 39.69 40.26 40.38 40.61 40.64 40.64 41.23 41.44 41.49
2.744 2.655 2.637 2.621 2.606 2.587 2.568 2.562 2.553 2.541 2.512 2.483 2.459 2.418 2.391 2.389 2.377 2.357 2.351 2.326 2.317 2.274 2.271 2.240 2.234 2.222 2.220 2.220 2.189 2.179 2.176
8 8 8 8 8 8 8 4 8 8 2 8 8 4 4 8 8 8 4 8 8 8 8 4 2 4 8 4 4 4 8
2.0 0.8 0.1 0.8 2.3 1.9 1.4 0.5 2.3 3.8 3.6 0.1 0.9 0.8 0.1 0.4 2.1 0.2 2.9 0.6 0.5 0.2 0.2 0.5 0.3 0.3 0.5 0.2 0.1 0.1 0.7
Zeolites
16:323-802.
1996
Kirchner,
h
k
4 1 8 6 7 8 3 7 0 4 1 7 4 2 4 8 2 1 7 10 9 1 5 10 7 4 3 1 6 1
4 1 0 1 2 2 3 3 2 0 2 1 4 2 1 2 5 5 3 1 1 4 1 1 2 2 5 3 3 5
1 1 4 2 3 2 1 3 1 4 4 4 3 2 4 4 2 0 1 2 0 2 3 3 1 3 4 1 4 3 2
28
d
41.56 41.67 41.69 41.82 41.84 41.90 42.88 43.04 44.38 44.49 44.63 45.10 45.28 45.37 45.45 45.60 46.09 46.55 46.67 46.72 46.88 47.58 47.60 47.88 47.89 48.22 48.43 49.25 49.38 49.98
2.173 2.167 2.166 2.160 2.159 2.156 2.109 2.101 2.041 2.036 2.030 2.010 2.003 1.999 1.996 1.989 1.969 1.951 1.946 1.944 1.938 1.911 1.910 1.900 1.899 1.887 1.879 1.850 1.846 1.825
8 8 4 8 8 8 8 8 4 4 8 8 8 8 8 8 4 8 8 4 8 8 8 8 8 8 8 8 8 8
0.8 1.5 0.2 1.2 0.8 0.6 0.7 0.9 1.7 0.3 2.2 0.6 0.6 0.2 0.1 0.1 0.2 0.2 0.3 3.2 0.2 0.1 0.7 0.1 1.0 0.6 0.1 0.3 0.4 1.6
Dehydrated
APC
AlPOd -C
Zeolites
16:323-802,
1996
373
APD
AlPOd--D
COMPOSITION:
A116P16064
CRYSTAL
Pcu~~ (No. 29) a = 19.187 A b = 8.576 A o! = 90” p = 90”
DATA:
E. B. Keller, W. M. Meier and R. M Kirchner, Solid State Ionics 43, 93-102 (1990).
REFERENCE:
h k 1 2 0 0 1 1 0 2 1 2 3 0 4 3 2 4 0 0 4 1 1 2 4 1 2 3 3 5 4 3 5 0 6 4 4 1 2 2 6 4 1 2 3 6 5
374
0 1 1 1 0 0 1 0 0 2 1 1 2 1 1 1 2 2 2 1 1 0 2 1 2 0 2 1 2 0 2 0 2 1 1 2 1 1
1 1 1 0 2 0 1 2 1 0 2 0 0 2 2 1 1 1 0 2 0 2 1 1 2 0 0 2 2 3 2 1 1 3 3 2 1 2
20
d
M
I rel
9.22 11.30 12.91 14.48 16.55 17.30 18.10 18.50 19.54 20.34 20.61 20.71 20.87 21.22 21.23 21.39 22.86 23.10 23.11 24.48 25.00 25.13 25.43 25.99 26.63 27.03 27.64 27.90 27.91 28.03 28.03 28.86 29.19 29.38 29.39 29.62 30.72 31.04 31.21 31.39
9.593 7.829 6.857 6.118 5.356 5.127 4.902 4.797 4.543 4.365 4.309 4.288 4.256 4.186 4.185 4.155 3.890 3.850 3.849 3.636 3.562 3.543 3.503 3.428 3.348 3.298 3.227 3.198 3.197 3.183 3.183 3.093 3.059 3.040 3.039 3.016 2.910 2.881 2.866 2.850
2 4 4 8 8 4 2 2 8 4 4 2 4 4
0.4 0.4 100.0 3.7 1.0 4.9 7.4 18.8 17.0 13.9 20.9 89.1 2.6 2.8 0.3 15.0 3.8 3.7 1.4 12.1 0.2 10.4 2.1 11.3 0.5 7.3 2.0 0.2 3.7 0.4 0.6 13.7 4.2 13.7 3.4 1.8 0.8 0.2 0.3 1.7
Zeolites
16:323-802,
c = 9.804 A y = 90”
8 8 8 8 8 4 8 4 4 8 8 4 2 4 8 8 4 8 4 8 8 8 8 8 8
1996
hkl 3 1 4 6 4 7 3 4 1 6 3 2 6 5 0 4 0 1 3 8 2 4 2 0 1 8 3 5 6 4 6 5 6 4 4 8 5 0 1 1
28 1 3 0 0 2 1 3 1 2 1 3 2 2 2 3 3 0 3 2 0 3 3 0 1 1 1 3 3 0 2 2 3 1 3 0 0 2 4 3 4
3 1 3 2 2 0 0 3 3 2 1 3 1 2 2 0 4 2 3 0 2 1 4 4 4 0 2 0 3 3 2 1 3 2 4 2 3 0 3 0
32.49 32.97 33.17 33.46 33.46 34.35 34.36 34.83 34.83 35.10 35.60 35.79 36.22 36.37 36.38 36.59 36.66 36.69 37.34 37.50 37.61 37.76 37.89 38.19 38.49 38.99 39.10 39.30 39.42 39.43 39.68 40.41 40.86 41.11 41.37 41.93 41.98 42.15 42.27 42.42
d 2.756 2.717 2.701 2.678 2.678 2.611 2.610 2.576 2.576 2.557 2.522 2.509 2.480 2.470 2.469 2.456 2.451 2.449 2.408 2.398 2.391 2.382 2.375 2.357 2.339 2.310 2.304 2.293 2.286 2.285 2.272 2.232 2.209 2.196 2.183 2.154 2.152 2.144 2.138 2.131
M
Ire1
h
k
1
28
d
M
8 8 4 4 8 4 4 8 8 8 8 8 8 8 4 4 2 8 8 2 8 8 4 4 8 4 8 4 4 8 8 8 8 8 4 4 8 2 8 4
1.7 0.2 4.0 5.0 3.4 0.1 1.0 0.3 0.3 0.1 4.7 3.4 3.0 0.2 0.3 0.3 3.3 3.8 0.2 1.2 0.9 0.8 1.1 0.5 0.2 0.2 1.3 0.5 0.2 0.7 0.1 2.4 0.4 0.2 1.0 2.1 0.1 5.2 0.8 0.4
0 8 8 7 6 1 2 5 9 8 2 7 3 3 9 6 5 3 7 0 4 1 6 4 7 8 8 2 2 4 9 1 6 8 10 2 0 1 3
2 2 1 2 3 4 2 3 1 2 4 1 3 4 1 2 1 4 3 4 4 4 0 2 3 0 2 4 0 4 1 1 1 1 0 1 3 3 1
4 0 2 2 1 1 4 2 0 1 1 3 3 0 1 3 4 1 0 2 0 2 4 4 1 3 2 2 5 1 2 5 4 3 1 5 4 4 5
42.48 43.22 43.30 43.31 43.45 43.46 43.57 43.58 43.75 44.24 44.26 44.41 44.42 44.57 44.77 44.94 45.15 45.57 45.86 46.21 46.39 46.47 46.69 46.70 46.84 46.99 47.21 47.23 47.32 47.36 47.71 47.82 47.95 48.25 48.33 48.56 48.95 49.20 49.79
2.128 2.093 2.089 2.089 2.083 2.082 2.077 2.077 2.069 2.047 2.046 2.040 2.039 2.033 2.024 2.017 2.008 1.991 1.978 1.964 1.957 1.954 1.945 1.945 1.939 1.934 1.925 1.924 1.921 1.919 1.906 1.902 1.897 1.886 1.883 1.875 1.861 1.852 1.831
4 4 8 8 8 8 8 8 4 8 8 8 8 4 8 8 8 8 4 4 4 8 4 8 8 4 8 8 4 8 8 8 8 8 4 8 4 8 8
Ire1 1.2 0.3 0.1 0.1 0.1 0.8 0.4 1.2 1.6 1.2 0.8 1.0 0.4 0.1 0.6 1.3 0.9 0.2 0.1 0.5 0.3 0.3 0.5 0.2 0.6 0.8 0.6 0.6 0.5 0.3 0.5 1.1 0.1 0.2 1.1 0.1 0.1 0.3 0.1
APD
AlPOd -D
Zeolites
16:323-802,
1996
375
AST
Quinuclidinium
fluoride
COMPOSITION:
(SizoO4,).2(Q+F-);
CRYSTAL
14/m (No. 87) a = 9.194 A cz = 90”
DATA:
REFERENCE:
octadecasil
Q = quinuclidine.
b = 9.194 &i p = 90”
c = 13.396 A y = 90”
P. Caullet, J. L. Guth, J. Hazm, J. M. Lamblin and H. Gies, Eur. J. Solid State Inorg. Chem. 28, 345-361 (1991).
h
k
1
20
d
M
IreI
h
k
1
26’
d
M
IreI
h
k
1
28
d
M
Ire1
1 0 1 1 2 1 1 2 2 0 2 1 2 3
0 0 1 1 0 0 2 1 0 0 2 2 1 0
1 2 0 2 0 3 1 1 2 4 0 3 3 1
11.67 13.22 13.62 19.02 19.31 22.13 22.62 22.62 23.47 26.62 27.44 29.53 29.53 29.91
7.580 6.698 6.501 4.665 4.597 4.017 3.931 3.931 3.790 3.349 3.251 3.025 3.025 2.987
8 2 4 8 4 8 8 8 8 2 4 8 8 8
100.0 2.9 5.1 12.0 2.7 14.9 35.4 3.6 4.3 7.5 8.2 5.0 0.3 0.4
1 2 1 2 1 3 1 3 2 3 2 4 2 0
1 2 3 0 3 1 0 0 3 2 2 0 1 0
4 2 0 4 2 2 5 3 1 1 4 0 5 6
30.01 30.57 30.75 33.09 33.60 33.60 34.88 35.53 35.85 35.85 38.60 39.19 40.17 40.40
2.977 2.924 2.907 2.707 2.667 2.667 2.572 2.527 2.505 2.505 2.332 2.298 2.245 2.233
8 8 4 8 8 8 8 8 8 8 8 4 8 2
6.3 5.5 8.5 1.8 0.1 2.6 1.8 0.5 0.4 1.2 6.6 0.5 0.7 0.3
2 3 1 4 1 4 3 2 3 2 1 2 1 2
3 2 4 1 3 0 3 4 0 0 4 4 0 3
3 3 1 1 4 2 2 0 5 6 3 2 7 5
40.75 40.75 41.03 41.03 41.11 41.54 43.91 44.05 44.94 45.14 45.46 46.19 48.59 49.34
2.214 2.214 2.200 2.200 2.195 2.174 2.062 2.056 2.017 2.008 1.995 1.965 1.874 1.847
8 8 8 8 8 8 8 4 8 8 8 8 8 8
0.7 1.8 0.3 2.4 0.7 0.4 0.1 1.7 0.6 0.2 0.8 0.4 1.2 4.6
376
Zeolites
16:323-902,
1996
Quinuclidinium
fluoride
octadecasil
I”“I”“I”“I”“I”“T”“I”“I”“I”“I””
Zeolites
16:323-602,
1996
377
AST
Quinuclidine
COMPOSITION:
(AlaoPaoOso).4Q.l6HzO;
CRYSTAL
F23 (No. 196) a = 13.3832 A a! = 90”
DATA:
REFERENCE:
hkl 1 2 2 3 2 4 3 4
378
1 0 2 1 2 0 3 0
1 0 0 1 2 0 1 2
28
d
11.45 13.23 18.75 22.03 23.02 26.64 29.08 29.86
7.727 6.692 4.732 4.035 3.863 3.346 3.070 2.993
Zeolites
16:323-802,
AIPO4-16
Q = quinuclidine.
h = 13.3832 A p = 90”
c = 13.3832 A “i = 90”
J. M. Bennett and R. M. Kirchner, Zeolites 11, 502-506 (1991).
iv 8 6 12 24 8 6 24 12
1996
Ire1 61.9 0.3 52.0 100.0 9.2 24.4 8.4 18.6
hkl 4 4 3 5 4 5 4 6
2 2 3 1 4 3 4 0
0 2 3 1 0 1 2 0
26’
d
29.86 32.78 34.83 34.83 38.03 39.85 40.44 40.44
2.993 2.732 2.576 2.576 2.366 2.262 2.231 2.231
Al
Ire1
h
k
1
20
d
ibi‘
Ire1
12 24 8 24 12 24 24 6
9.2 5.0 0.3 5.1 10.3 2.1 0.3 0.5
6 6 5 6 4 5 7 6
0 2 3 2 4 5 1 0
2 0 3 2 4 1 1 4
42.73 42.73 44.39 44.93 47.04 48.58 48.58 49.09
2.116 2.116 2.041 2.018 1.932 1.874 1.874 1.856
12 12 24 24 8 24 24 12
0.2 0.2 4.6 0.6 0.2 3.7 4.8 1.1
Quinuclidine
AST
AlPOd -16
Zeolites
16:323-802,
1996
379
ATN
MAPO-39
COMPOSITION:
&P8032
CRYSTAL
12 (No. 82) a = 13.09 A Q = 90”
DATA:
REFERENCE:
h 110 2 1 2 1 3 1 2 3 4 3 2 3 2 4
380
k 0 0 2 3 1 2 1 0 0 3 3 2 4 2
28
d
M
IreI
hkl
0 1 0 0 0 1 1 1 0 0 1 1 0 0
9.56 13.53 18.42 19.18 21.47 21.47 22.92 22.92 26.71 27.25 28.94 30.06 30.06 30.54 30.54
9.256 6.545 4.817 4.628 4.139 4.139 3.879 3.879 3.337 3.273 3.085 2.973 2.973 2.927 2.927
4 4 8 4 4 4 8 8 8 4 4 8 8 4 4
47.2 100.0 39.6 2.6 6.1 32.2 39.0 20.1 0.4 5.6 7.9 5.0 7.9 12.0 4.5
1 4 0 1 5 2 3 4 5 2 3 5 5 1 6
16:323-802,
c = 5.18 A y = 90”
L. B. McCusker, G. 0. Brunner and A. F. Ojo, Acta Cryst. A46, C-59 (1990) (15th. Congress of IUCr, Bordeaux).
1
Zeolites
b = 13.09 A p = 90”
1996
4 1 1 1 0 2 5 0 1 0 0 2 3 1 3 1 0 1 2 2 5 0 3 0 2 1 3 2 0 0
20
d
33.09 33.09 34.63 34.95 34.95 37.34 38.53 38.53 38.53 39.89 40.17 40.17 41.01 41.11 41.39
2.707 2.707 2.590 2.567 2.567 2.408 2.337 2.337 2.337 2.260 2.245 2.245 2.201 2.196 2.182
M 8 8 2 4 4 8 8 8 8 8 4 4 8 8 4
Irei 4.4 7.5 7.2 0.4 0.8 4.1 0.9 3.0 5.5 1.4 0.6 0.4 0.2 0.2 1.9
hkl 2 6 4 1 6 3 2 4 4 5 1 5 3 6
26 6 2 0 6 1 3 4 2 5 4 7 5 6 3
0 43.74 0 43.74 2 44.62 1 45.65 1 45.65 2 45.74 2 46.84 2 46.84 1 47.83 1 47.83 0 49.22 0 49.22 1 49.94 1 49.94
d 2.070 2.070 2.031 1.987 1.987 1.984 1.940 1.940 1.902 1.902 1.851 1.851 1.826 1.826
M 4 4 8 8 8 8 8 8 8 8 4 4 8 8
IreI 1.7 0.6 1.8 0.5 0.5 1.1 0.8 1.9 0.5 1.0 0.3 3.4 1.2 0.5
ATN
MAPO-39
J --I -==+
Zeolites
16:323-802.
1996
381
AT0
Di-n-propylamine
COMPOSITION:
(A11sP17Si072).2(C3H7)2NH
CRYSTAL
R3 (No. 148) hexagonal setting a = 20.839 A b = 20.839 A a! = 90” p = 90”
DATA:
REFERENCE:
h
k
1 0 2
1 3 2 1 0 0 2 2 1 3 -1 1 4 4 1 1 3 4 -3 3 3 3 2 5 -2 0 6 5 2 2 4 6 -4 5 1 6 -1 4 4 4 3
382
1
28
8.49 0 0 14.73 0 17.02 1 18.27 1 20.18 1 21.92 1 21.92 0 22.58 0 22.58 1 25.07 1 25.07 0 25.65 1 27.88 1 27.88 0 29.70 0 30.94 1 31.67 1 31.67 1 32.85 1 32.85 0 34.43 1 35.09
Zeolites
SAPO-31
W. H. Baur, W. Joswig, D. Kassner Acta Cryst. B50, 290-294 (1994).
d
M
I Id
hkl
10.419 6.016 5.210 4.855 4.401 4.054 4.054 3.938 3.938 3.552 3.552 3.473 3.200 3.200 3.008 2.890 2.825 2.825 2.726 2.726 2.605 2.557
6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6
100.0 2.8 7.2 5.0 91.6 8.8 46.8 53.5 99.9 0.4 7.7 5.2 21.1 1.9 9.7 1.0 32.5 5.7 0.1 0.3 0.4 5.4
7 0 2 7 1 7 1 3 3 7 8 3 6 3 4 6 2 5 5 9 5 5
16:323-802,
c = 5.041 A y = 120”
1996
20 -3 1 0 -6 7 1 2 -2 5 0 -5 6 3 1 -1 2 3 -3 4 -4 5 0
1 35.09 2 35.98 2 37.03 1 37.22 0 37.63 0 37.63 2 38.06 2 38.06 1 39.25 1 39.25 1 39.25 0 39.64 0 39.64 2 40.05 2 40.05 1 40.23 2 41.96 2 41.96 1 43.06 1 43.06 0 43.42 2 43.81
and J. Kornatowski,
d
iVl
I rel
2.557 2.496 2.428 2.416 2.390 2.390 2.364 2.364 2.295 2.295 2.295 2.274 2.274 2.251 2.251 2.242 2.153 2.153 2.100 2.100 2.084 2.067
6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6
11.6 5.8 4.5 0.8 2.0 0.7 2.4 2.9 0.3 3.3 2.6 2.0 1.0 3.8 0.6 1.4 0.4 0.2 0.4 0.8 0.6 1.9
h
k
1
0 8 1 4 2 2 6 -2 2 2 7 1 9 -7 1 0 9 0 1 5 2 2 8 0 8 2 0 8 1 1 9 -1 1 3 4 2 4 6 1 10 -6 1 7 3 1 10 -3 1 4 7 0 7 4 0 6 1 2 7 -1 2
28
d
M
IreI
43.97 44.71 44.71 44.87 44.87 45.22 45.59 46.10 46.10 46.62 46.62 47.32 47.48 47.48 48.32 48.32 48.65 48.65 49.01 49.01
2.059 2.027 2.027 2.020 2.020 2.005 1.990 1.969 1.969 1.948 1.948 1.921 1.915 1.915 1.883 1.883 1.871 1.871 1.859 1.859
6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6
0.9 1.1 0.5 1.0 0.3 3.0 0.4 0.8 1.0 6.5 0.2 2.3 1.8 0.1 0.2 1.4 2.6 1.5 0.2 2.5
Di-n-propylamine
SAPO-31
Zeolites
16:323-602,
1996
383
ATS
MAPO-36 COMPOSITION:
[(Aho.&k)Pn2048].
CRYSTAL
Cl 2/c 1 (No. 15) unique axis b, cell choice 1 a = 13.1483 A b = 21.5771 A c = 5.1639 A cy = 90” ,d = 91.84” y = 90”
DATA:
J. V. Smith, J. J. Pluth and K. J. Andries. Zeolites 13, 166-169 (1993).
REFERENCE:
hkl 1 1 0 0 2 1 2 0 -1 0 1 3 2 1 -1 1 -2 2 3 0 4 -2 3 -1 2 1 2 4 3
2 0 3 2 4 1 2 1 1 4 5 3 3 2 2 3 6 0 4 1 5 4 5 6 2 5
384
0 0 0 0 0 1 1 1 0 0 0 1 1 1 1 0 0 0 1 1 1 1 1 0 0 0
28
d
M
I rel
7.88 8.20 13.48 14.04 15.79 16.43 18.72 19.06 19.12 20.69 21.31 21.67 22.08 22.42 23.09 23.74 23.78 24.76 27.14 27.22 27.44 27.65 27.78 27.93 28.29 28.40 29.05
11.224 10.789 6.571 6.309 5.612 5.394 4.739 4.6.56 4.641 4.293 4.169 4.100 4.025 3.965 3.852 3.748 3.741 3.596 3.285 3.276 3.251 3.226 3.211 3.195 3.155 3.143 3.074
4 2 2 4 4 2 4 4 4 4 4 4 4 4 4 4 4 2 2 4 4 4 4 4 4 4 4
100.0 25.3 4.9 0.3 1.3 12.2 0.6 19.8 1.0 10.7 2.2 3.7 8.8 9.8 2.2 1.7 1.1 0.2 6.2 2.2 0.7 0.2 0.7 0.6 1.8 0.3 2.3
Zeolites
16:323-802.
1.2NCgJh
1996
h, k -3 1 3 0 4 -2 0 -3 -1 1 0 -1 0 1 2 -4 5 0 2 1 -5 2 5 -3 5 2 -2
3 7 3 6 4 6 8 5 7 7 0 1 2 1 8 4 3 8 0 3 1 2 1 7 5 8 4
1
28
d
M
1 0 1 1 0 1 0 1 1 1 2 2 2 2 0 1 0 1 2 2 1 2 1 1 0 1 2
29.09 29.77 29.88 30.29 31.89 33.05 33.22 33.59 34.46 34.69 34.76 35.48 35.78 35.92 35.99 36.01 36.39 37.63 37.86 37.87 38.15 38.81 39.18 39.49 40.17 40.34 40.74
3.069 3.001 2.990 2.951 2.806 2.710 2.697 2.668 2.603 2.586 2.581 2.530 2.510 2.500 2.495 2.494 2.469 2.390 2.376 2.376 2.359 2.321 2.299 2.282 2.245 2.236 2.215
4 4 4 4 4 4 2 4 4 4 2 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4
-Ire1
h
k
1
28
2.4 0.2 0.6 2.8 3.4 0.2 0.3 0.6 1.1 3.6 3.6 0.6 0.5 0.2 0.4 1.0 0.2 0.4 0.3 0.3 0.5 0.3 0.3 0.2 1.0 0.2 0.4
-1 6 3 4 2 1 1 3 0 -5 2 -6 5 -3 2 -1 6 -4 4 -2 -6 -5 6 7 6 0 5
5 0 1 6 4 5 9 3 6 5 10 2 7 5 6 7 2 8 8 10 4 7 6 1 4 8 7
2 0 2 1 2 2 1 2 2 1 0 1 0 2 2 2 1 1 1 1 1 1 0 0 1 2 1
41.14 41.22 41.39 41.51 41.53 41.53 42.22 43.13 43.15 43.52 44.18 45.24 45.34 45.37 45.77 46.23 46.32 46.66 47.36 47.56 47.66 48.41 48.67 48.68 48.70 48.84 49.26
d 2.194 2.190 2.182 2.175 2.175 2.174 2.141 2.098 2.097 2.079 2.050 2.004 2.000 1.999 1.982 1.964 1.960 1.947 1.919 1.912 1.908 1.880 1.871 1.870 1.870 1.865 1.850
M
IreI
4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4
0.1 1.0 0.1 0.2 0.6 0.3 0.1 0.2 0.4 0.4 0.7 0.3 0.4 0.6 0.2 0.1 0.4 0.3 0.3 0.8 0.1 0.1 0.3 0.3 0.2 0.1 0.5
ATS
MAPO-36
J
Zeolites
16:323-602,
1996
365
ATT
Tetramethylammonium
(A112P12048).4(CH&NOH
CRYSTAL
P21212 (No. 18) a = 10.3325 A b = 14.6405 A /j zr 90” Q = 90”
110 0 0 1 1 1 0 2 121 0 2 0 13 0 211 10 2 112 1 0 2 1 0 2 2 0 0 2 2 141 3 13 0 2 0 10 2 1 0 0 2 2
386
20
1
1 2 0 1 2 21 0
1 0 1 1 0
0 01 1
2
0
2 0
31
2 3 2 2 2 4 3 0 4 3 1 31
2 0 1 2 1 2 0 0 2 1 2 2
01 0 2 1 4 1 2 4 41 3
2 3 2 3 3 0 3 3 2 2
Zeolites
AlPOd-12-TAMU
COMPOSITION: DATA:
REFERENCE:
hkl 0 0
hydroxide
9.30 10.48 11.09 12.09 12.65 14.03 14.83 15.27 17.16 17.53 18.66 19.55 19.63 20.12 20.45 20.48 20.56 21.05 21.45 22.21 22.29 23.05 23.92 24.32 25.10 25.46 26.09 26.16 26.19 26.82 27.50 27.54 27.58 28.15 28.27 28.81 29.47 29.92 30.11 30.73 30.83 31.39 31.46
d 9.511 8.442 7.976 7.320 6.998 6.314 5.973 5.801 5.166 5.058 4.756 4.540 4.523 4.413 4.342 4.336 4.320 4.221 4.143 4.003 3.988 3.858 3.720 3.660 3.548 3.499 3.416 3.406 3.403 3.324 3.243 3.238 3.235 3.170 3.157 3.099 3.031 2.987 2.968 2.909 2.901 2.849 2.844
16:323-802.
c = 9.5112 A y = 90”
P. R. Rudolf, C. Saldarriaga-Molina and A. Clearfield, J. Phys. Chem. 90, 6122-6125 (1986).
n!!
I El
2 4 4 2
24.3 0.3 0.5 0.9 100.0 0.9 0.4 26.6 7.8 21.7 0.5 2.7 0.5 1.3 2.8 0.7 19.7 5.8 1.3 4.3 0.3 6.9 30.9 1.0 1.3 0.2 44.4 0.1 0.5 1.4 5.3 51.5 0.5 0.4 0.5 0.1 9.7 1.6 0.2 7.6 0.2 1.0 1.0
4 4 4 8 4 4 8 8 4 8 8 2 4 4 4 4 8 8 8 4 8 2 8 4 4
1996
h
k
1
1 12 1 3 3 151 3 0 3 4 2 2 4 2 4 0 3 1 3 0 2 4 0 1 3 1 1 3 1 4 2 4 3 3 4 3 1 2 3 0 4 2 0
5
0 3 2 2
4 0 12 3 3 2 0 2 4 01 51 1 6 4 5 3 0 3 2 1 4 0 0 6 1 1 0 5 1 5 2 3 4 2 4 5 6 2 0 5
1 3 2 0 3 2
1 0 1 2 2 4 3 1 4 3 3 4 1 3 4 2 2 2 0 3 1 2 4 3 1 2 2 4 3
20
d
31.76 31.96 32.05 32.09 32.68 33.17 33.20 33.71 34.40 34.73 35.41 35.49 36.03 36.52 36.56 36.83 37.07 37.09 37.12 37.84 38.06 38.14 38.35 38.57 38.60 38.86 39.09 39.10 39.37 39.71 40.16 40.20 40.43 40.59 40.64 40.67 40.85 41.54 41.58 41.60 41.66 41.82 42.00
2.817 2.800 2.793 2.789 2.740 2.701 2.698 2.659 2.607 2.583 2.535 2.529 2.493 2.461 2.457 2.440 2.425 2.424 2.422 2.378 2.364 2.360 2.347 2.334 2.333 2.317 2.304 2.304 2.289 2.270 2.245 2.243 2.231 2.223 2.220 2.219 2.209 2.174 2.172 2.171 2.168 2.160 2.151
M
I rel
h
k
1
20
d
2 0 2 1 4 1 3 1 2 4 1 5 0 5 1 4 2 5 1 3 3 5 3 4 4 0 5 0 1 2 3 5 1 2 1 0 0 3 5 0 3
6 3 1 6 4 5 3 3 2 3 7 1 7 0 7 0 6 1 4 0 6 2 14 2 4 7 3 0 6 7 2 1 0 4 1 5 2 6 2 8 5
1 4 4 2 0 3 3 4 4 2 0 0 1 1 1 3 2 1 4 4 1 1
4 8 4 4 8 8 8 4 8 8 4 8 8 8 8 8 8 4 8 4 4
0.5 0.5 11.1 1.4 0.1 0.3 1.2 0.5 9.2 0.9 0.8 1.0 0.3 1.2 0.2 1.1 0.9 1.3 0.1 1.8 0.2 0.6 0.4 0.3 0.1 0.5 0.9 0.8 0.3 1.7 0.7 0.6 0.4 0.7 0.3 3.1 0.2 0.5 0.1 0.2 2.4 0.3 1.3
42.04 42.28 42.29 42.55 42.85 42.95 42.98 43.22 43.69 43.99 44.18 44.26 44.34 44.88 45.25 45.28 45.31 45.33 46.38 46.40 46.60 46.66 46.84 47.04 47.11 47.49 47.80 47.81 47.86 47.89 48.13 48.43 48.67 48.96 49.09 49.37 49.51 49.64 49.69 49.83 49.99
2.149 2.138 2.137 2.125 2.110 2.106 2.105 2.093 2.072 2.058 2.050 2.046 2.043 2.019 2.004 2.003 2.001 2.000 1.958 1.957 1.949 1.947 1.940 1.932 1.929 1.914 1.903 1.902 1.901 1.900 1.890 1.880 1.871 1.860 1.856 1.846 1.841 1.837 1.835 1.830 1.825
3 2 2 0 5 3 1 4 2 5 4 5 4 5 2 2 0 3
Ad Ire1 8 4 8 8 4 8 8 8 8 8 4 4 4 4 8 4 8 8 8 4 8 8 8 8 8 4 4 2 8 8 8 8 4 8 8 4 4 8 8 2 8
0.1 0.3 1.0 0.1 0.1 0.3 0.3 0.2 0.5 0.7 0.2 0.3 0.2 0.5 0.5 0.7 0.3 0.6 0.2 0.2 0.6 0.3 0.2 2.1 0.1 0.8 0.3 0.9 1.9 0.2 0.6 0.4 0.3 0.2 0.1 0.2 0.1 0.2 0.2 2.3 0.2
Tetramethylammonium
hydroxide
ATT
AlPOd -12JAMU
h e
Zeolites
16:323-802,
1996
387
ATV
AIP04-25
COMPOSITION: CRYSTAL
Ah2Pl2048
DATA:
Acmm (No. 67) i?ba setting a = 9.4489 A b = 15.2028 A c? = 90” p = 90”
REFERENCE:
h k 1 1 0 0 0 1 1 2 0 2 2 1 1 0 0 1 1 2 3 2 2 3
388
2 2 1 0 0 2 1 3 0 4 2 4 2 3 0 0 4 2
0 0 1 0 2 0 1 1 2 0 2 0 2 1 0 2 0 0
J. W. Richardson, Jr., J. V. Smith and J. J. Pluth, J. Phys. Chem. 94, 3365.-3367 (1990).
26’
d
M
Ire1
hkl
9.36 11.64 14.96 15.26 18.78 21.13 22.15 22.36 22.54 23.16 23.41 24.19 25.26 25.99 27.91 28.34 28.42 30.18 30.73
9.449 7.601 5.923 5.805 4.724 4.204 4.013 3.975 3.944 3.841 3.801 3.679 3.526 3.428 3.196 3.150 3.141 2.961 2.910
2 2 4 8 2 2 4 8 8 4 2 4 4 8 8 2 4 4 4
48.0 12.6 95.2 0.3 29.7 100.0 0.5 33.4 44.0 6.7 5.3 1.1 47.2 11.4 1.9 3.0 7.0 0.2 21.5
3 0 1 1 1 3 0 2 3 2 3 2 1 4 4 4 2 2 3
Zeolites
16:323-602,
c = 8.4084 A y = 90”
1996
28 1 4 5 4 1 3 6 5 4 4 2 1 3 0 2 1 6 3 5
1 2 1 2 3 1 0 1 0 2 2 3 3 0 0 1 0 3 1
30.88 31.74 32.72 33.16 33.88 35.21 35.43 36.74 37.07 37.13 37.59 37.79 37.90 38.09 39.97 40.09 40.39 41.48 42.71
d 2.895 2.819 2.737 2.702 2.646 2.549 2.534 2.446 2.425 2.421 2.393 2.381 2.374 2.362 2.256 2.249 2.233 2.177 2.117
M
I rel
h
k
1
8 4 8 8 8 8 2 8 4 8 8 8 8 2 4 8 4 8 8
0.3 1.8 1.2 11.3 0.2 1.3 4.9 2.2 4.4 0.5 6.8 6.9 8.3 0.7 0.1 1.4 0.8 0.4 0.2
0 4 3 4 1 1 1 4 1 3 2 3 2 2 0 2 2 0 5
0 3 1 0 7 0 5 2 2 6 6 3 7 0 8 5 2 4 2
4 1 3 2 1 4 3 2 4 0 2 3 1 4 0 3 4 4 0
28 43.03 43.62 43.64 43.97 44.12 44.13 45.02 45.64 45.80 45.97 46.02 46.95 47.32 47.33 47.87 48.17 48.91 49.55 49.71
d
M
2.102 2.075 2.074 2.059 2.053 2.052 2.014 1.988 1.981 1.974 1.972 1.935 1.921 1.921 1.900 1.889 1.862 1.840 1.834
2 8 8 4 8 4 8 8 8 4 8 8 8 4 2 8 8 4 4
Ire, 9.0 0.8 0.3 0.3 0.3 0.7 1.0 0.8 1.4 1.1 3.0 0.7 4.4 0.9 3.6 1.1 0.3 0.7 0.9
ATV
AlPOd -25
Zeolites
16:323-802,
1996
389
AWW
Quinuclidine
COMPOSITION:
(A124P24096).2P030H.4C7H14N
CRYSTAL
P4/ncc (No. 130) origin at i a = 13.628 A b = 13.628 a
DATA:
ff = 90”
h
k
1
28
1 0 2 1 1 2 2 2 2 3 3 2 2 3 0 3 1 3 1 4 3 2 3 2 4 3 4 3 4 4 2
1 0 0 0 1 1 0 2 1 1 1 2 1 0 0 1 0 2 1 0 2 0 1 1 1 3 0 2 2 1 2
0 2 0 2 2 1 2 0 2 0 1 2 3 2 4 2 4 1 4 0 2 4 3 4 1 0 2 3 0 2 4
9.18 11.44 12.99 13.17 14.69 15.63 17.35 18.41 18.54 20.61 21.40 21.73 22.59 22.70 23.01 23.63 23.93 24.24 24.82 26.16 26.24 26.51 26.97 27.32 27.60 27.77 28.63 29.30 29.31 29.39 29.63
Zeolites
d 9.636 7.732 6.814 6.725 6.031 5.670 5.112 4.818 4.786 4.310 4.151 4.089 3.936 3.917 3.866 3.764 3.719 3.672 3.588 3.407 3.396 3.362 3.306 3.265 3.232 3.212 3.118 3.048 3.047 3.039 3.015
16:323-602,
c = 15.463 A y = 90”
I!3 = 90”
J. W. Richardson, Jr., J. J. Pluth and J. V. Smith, Naturwiss. 76, 467-469 (1989). And J. J. Pluth, private communication (1990).
REFERENCE:
390
AIPOd-22
hf
Ire1
h
k
4 2 4 8 8 16 8 4 16 8 16 8 16 8 2 16 8 16 8 4 16 8 16 16 16 4 8 16 8 16 8
92.8 2.8 6.3 21.1 3.6 0.2 31.3 1.6 100.0 63.9 1.9 2.8 3.1 5.0 3.2 16.5 18.0 3.0 10.7 9.5 6.4 9.1 0.2 25.7 0.1 5.9 8.3 1.0 18.8 10.1 0.9
4 3 3 4 4 2 3 5 5 0 4 5 4 1 5 3 4 5 1 5 3 4 2 4 2 6 3 5 4 5 6
2 3 1 2 1 1 2 1 1 0 3 0 0 0 1 1 1 2 1 2 2 2 1 4 2 0 0 3 3 1 2
1996
1 1 2 4 2 3 5 4 0 1 6 2 2 4 6 2 5 4 1 6 2 5 4 6 2 6 0 6 2 4 4 0
28 29.88 30.13 31.08 31.56 32.17 32.46 33.15 33.53 34.04 34.81 34.90 34.90 35.11 35.45 35.54 35.73 35.74 35.96 36.08 37.39 37.58 37.58 37.90 39.17 39.66 39.68 40.23 40.31 40.49 41.06 41.93
d 2.990 2.966 2.878 2.835 2.782 2.758 2.703 2.673 2.634 2.577 2.570 2.570 2.556 2.532 2.526 2.513 2.512 2.497 2.490 2.405 2.393 2.393 2.374 2.300 2.273 2.271 2.242 2.237 2.228 2.198 2.155
M
Ire1
h
k
1
20
d
16 8 16 16 16 16 16 8 16 2 16 8 8 8 16 16 16 16 8 16 16 16 16 8 8 4 8 16 16 16 8
0.2 0.6 2.3 14.1 0.4 0.2 3.3 0.4 1.2 9.7 4.4 8.3 3.2 0.4 6.3 0.3 0.7 0.2 0.6 1.5 0.5 1.6 1.1 1.5 1.7 1.7 0.8 0.6 0.1 3.5 1.9
6 5 6 6 5 4 4 5 3 5 4 6 6 6 0 5 1 7 1 6 7 6 5 5 7 5 2 7 5 2 6
1 2 2 1 4 4 1 1 3 3 2 3 0 1 0 5 0 1 1 4 0 2 0 5 1 4 0 2 1 1 4
2 4 2 3 2 4 6 5 6 4 6 2 4 4 8 0 8 1 8 0 2 4 6 2 2 4 8 1 6 8 2
41.98 42.70 43.60 44.07 44.13 44.30 44.58 44.82 45.10 45.34 46.13 46.20 46.36 46.87 47.01 47.16 47.51 47.54 48.01 48.15 48.20 48.36 48.62 48.69 48.69 48.85 48.98 49.02 49.11 49.47 49.66
2.152 2.117 2.076 2.055 2.052 2.045 2.032 2.022 2.010 2.000 1.968 1.965 1.958 1.938 1.933 1.927 1.914 1.913 1.895 1.890 1.888 1.882 1.873 1.870 1.870 1.864 1.860 1.858 1.855 1.842 1.836
M Ire1 16 16 16 16 16 8 16 16 8 16 16 16 8 16 2 4 8 16 8 8 8 16 8 8 16 16 8 16 16 16 16
0.4 0.4 0.5 0.2 1.1 4.1 1.1 0.4 4.6 0.3 0.3 1.9 0.3 1.6 1.3 1.0 0.1 0.1 0.4 0.2 5.2 0.2 0.4 2.6 2.1 0.3 2.0 0.1 2.8 0.3 0.2
Quinuclidine
AWW
AlPOd -22
r
Zeolites
16:323-602,
1996
391
*BEA
Beta,
polymorph
COMPOSITION:
Sk40128
CRYSTAL
P4r22
DATA:
A SiOz framework
(No.91)
a = 12.66139 A b = 12.66139 A c = 26.40612 A /3 = 9o”
a = 90” REFERENCE:
h k 1 1 0 0 1 1 1 1 1 0 2 2 1 2 2 2 1 2 2 1 2 2 2 3 1 2 3 3 2 3 1 2 3 3 1 2 3 3 3 2 3
0 0 1 1 0 0 0 0 0 0 1 1 0 1 0 1 2 1 2 0 0 0 0 1 2 1 1 1 1 1 0 0 0 2 2 1 1
1 2 1 2 3 4 0 1 4 2 1 2 5 3 4 5 1 4 2 0 6 5 2 0 3 1 6 5 2 3 7 6 4 0 1 6 4
20 6.98 7.74 9.68 10.43 11.94 12.25 13.41 13.99 14.39 15.14 15.52 16.01 17.04 18.20 18.63 19.43 19.51 20.12 20.67 20.95 21.05 21.37 21.92 22.11 22.20 22.28 22.46 22.51 23.03 23.21 24.42 24.62 24.64 25.04 25.36 25.59 25.64 26.03
d 12.661 11.417 9.138 8.479 7.410 7.227 6.601 6.331 6.156 5.854 5.708 5.536 5.204 4.874 4.762 4.569 4.549 4.413 4.298 4.239 4.220 4.157 4.055 4.020 4.004 3.990 3.959 3.950 3.862 3.832 3.644 3.615 3.614 3.556 3.512 3.481 3.475 3.423
y = 90”
J. M. Newsam, M. M. J. Treaty, W. T. Koetsier and C. B. deGruyter, Proc. Roy. Sot. (London) A420, 375-405 (1988).
M
I rel
4 8 8 8 8 8 2 4 8 8 8 16 16 8 16 8 8 8 16 8 4 8 8 8 8 8 16 8 16 16 16 8 8 8 8 16 16 16
22.8 100.0 14.7 0.3 0.3 6.3 2.8 0.3 3.8 0.3 1.0 0.2 0.1 4.2 0.5 1.1 0.1 0.5 1.6 1.4 2.8 1.0 6.8 18.9 0.7 0.3 3.6 0.3 0.7 0.7 1.3 1.0 0.3 2.3 0.1 0.8 1.5 0.3
hk
1
22 32 00 20 10 40 40 217 22 32 40 30 33 20 32 413 22 10 414 42 317 33 40 20 415 42 30 1 0 32 31 50 43 50 43 51 512 43 50
5 2 8 7 8 0 1 6 4 2 6 0 8 5 7 9 2 4 5 9 4 8 10 7 8 0 1 1 2 1 3 3
20 26.09 26.26 27.01 27.52 27.93 28.19 28.40 28.43 28.44 28.80 29.01 29.32 29.94 30.54 30.57 30.84 31.00 31.29 32.15 32.34 32.61 32.94 32.99 33.67 33.76 34.47 34.49 34.70 34.91 35.24 35.45 35.62 35.62 36.12 36.34 36.83 36.94 36.94
d 3.415 3.394 3.301 3.241 3.194 3.165 3.143 3.139 3.138 3.100 3.078 3.046 2.984 2.927 2.924 2.899 2.885 2.858 2.784 2.768 2.746 2.719 2.715 2.662 2.655 2.602 2.600 2.585 2.570 2.547 2.532 2.521 2.521 2.487 2.472 2.440 2.434 2.434
Jvf IreI
h. k
8 16 2 8 8 4 8 16 8 16 8 8 4 8 16 16 8 8 16 16 16 8 8 8 16 16 8 8 16 16 4 16 8 16 16 16 16 8
40 2 513 42 50 1 5 40 2 52 2 52 2 53 51 40 52 3 60 53 50 61 52 2 1 52 51 3 2 50 52 60 54 53 62 63 52 5
0.2 0.1 2.3 1.8 0.2 0.8 2.9 0.5 0.6 0.4 0.2 2.0 0.5 0.9 1.9 0.1 0.1 0.7 0.5 0.1 1.1 1.1 0.2 0.8 0.1 0.1 0.2 0.2 0.2 0.3 0.2 0.7 0.4 0.3 0.2 0.3 0.7 0.5
1
0 1 2 0 1
2
1 0
2 0
0
I
20
d
M
IA
7 10
37.07 37.58 37.64 37.78 38.06 38.16 38.74 39.44 39.63 39.68 40.17 40.74 40.83 41.74 41.77 41.99 42.07 42.85 42.85 42.90 43.02 43.62 43.65 44.15 45.21 45.46 45.72 45.78 46.98 47.42 47.48 47.80 48.03 48.36 48.64 48.73 49.69 49.90
2.425 2.393 2.390 2.381 2.364 2.359 2.324 2.285 2.274 2.272 2.245 2.215 2.210 2.164 2.163 2.152 2.148 2.110 2.110 2.108 2.102 2.075 2.074 2.051 2.006 1.995 1.984 1.982 1.934 1.917 1.915 1.903 1.894 1.882 1.872 1.868 1.835 1.828
8 16 16 16 8 8 16 8 8 16 8 16 16 16 16 8 16 16 4 16 8 16 16 16 8 16 16 16 8 8 16 8 16 16 16 16 16 8
0.3 0.1 0.1 0.2 0.1 0.1 0.2 0.3 0.1 0.2 0.3 0.6 0.1 0.1 0.2 0.4 0.2 0.3 2.0 0.2 0.3 0.2 0.4 0.3 0.1 0.2 0.2 1.0 0.2 0.8 0.2 0.3 0.2 0.3 0.2 0.4 0.2 0.3
6 4 11 4 8 10 3 11 4 11 1 6 9 5 10 0 3 7 1 6 12 13 7 8 11 13 9 8 6 4 7 5 2 9 10
Zeolite beta and its mineral analog tschernichite are intergrown materials and *BEA represents the framework of a hypothetical end member. Simulated powder patterns for intergrown variants are presented later in this book.
39’2
Zeolites
16:323-802,
1996
Beta, polymorph
*BEA
A SiO, framework
Zeolites
16:323-802,
1996
393
BIK
Bi kitaite
COMPOSITION:
Liz(Si4A12012).2HzO Bikita, Zimbabwe.
CRYSTAL
Pl (No. 1) a = 8.6071 A a! = 89.900”
DATA:
0 -1 1 -2 1 1 0 0 -1 -1 2 -1 0 -2 1 1 -2 -2 2 2 -1 -1 2 -3 0 0 -2 -2 1
394
k 1 0 0 0 0 0 0 1 -1 1 -1 1 -1 0 0 02 0 1 -1 1 -1 1 -1 1 -1 0 0 1 -1 1 -1 0
1 1 1 1 0 0 1 1 1 1 0 2 2 1 1 1 1 0 0 2 2 1 1 2 2 2 2 2
20 11.29 12.80 13.11 20.34 20.93 21.21 21.23 22.05 22.09 22.24 22.27 22.69 23.43 25.76 26.39 27.20 27.25 27.67 27.68 29.04 29.07 29.62 29.67 30.52 31.20 31.52 31.58 32.06 32.09 32.33
Zeolites
d 7.836 6.917 6.754 4.366 4.244 4.189 4.185 4.031 4.024 3.997 3.993 3.918 3.797 3.458 3.377 3.279 3.273 3.223 3.223 3.075 3.072 3.016 3.011 2.929 2.867 2.838 2.833 2.792 2.789 2.769
16:323-802,
c = 7.5972 A y = 89.988”
K. Stbhl. A. Kvick and S. Ghose, Zeolites 9, 303-311 (1989).
REFERENCE:
h 1
b = 4.9540 a p = 114.437”
M 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
1996
IreI 45.2 30.6 16.1 31.3 9.7 69.7 68.2 0.6 0.5 5.4 4.6 2.4 9.3 100.0 78.4 25.4 23.3 20.0 20.4 13.5 14.9 0.6 1.0 5.9 8.7 0.7 0.7 2.7 3.0 0.1
h 2 2 -1 -3 -3 0 1 1 1 -3 1 -3 0 0 -1 -1 3 3 0 -1 -1 -2 -2 3 1 1 -2 -2 -4 2
k 1 -1 0 -1 1 2 1 -1 2 1 -2 -1 2 -2 2 -2 1 -1 03 1 -1 1 -1 0 2 -2 2 -2 0 2
1 1 1 3 1 1 0 2 2 0 2 0 2 1 1 1 1 0 0 3 3 3 3 1 1 1 1 1 1 0
20 35.58 35.64 35.76 36.20 36.21 36.27 37.17 37.23 38.09 38.10 38.11 38.12 38.58 38.63 38.71 38.73 38.96 39.00 39.07 40.24 40.30 40.56 40.61 41.71 41.90 41.97 42.24 42.25 42.44 43.19
d
M
2.523 2.519 2.511 2.482 2.481 2.477 2.419 2.415 2.362 2.362 2.361 2.361 2.334 2.330 2.326 2.325 2.311 2.310 2.306 2.241 2.238 2.224 2.221 2.165 2.156 2.153 2.139 2.139 2.130 2.095
2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
Id
h
k
8.8 9.3 0.3 18.6 18.4 43.5 1.9 2.5 0.5 3.9 0.5 4.5 1.5 1.3 1.5 1.7 1.1 1.7 1.0 1.9 2.0 0.4 0.6 0.1 0.9 1.0 1.0 1.3 0.1 0.6
2 0 0 -3 -3 0 0 1 -2 2 -2 3 3 4 -4 -4 -4 -4 -4 -2 2 2 -3 -3 -1 1 1 1 -3
-2 1 -1 1 -1 22 -2 0 2 -1 -2 1 -1 0 -1 1 1 -1 0 0 2 -2 -2 2 0 1 -1 -2 0
1 0 3 3 3 3 2 3 2 2 2 1 1 0 1 1 2 2 3 4 1 1 1 1 4 3 3 2 4
20
d
M
I IX1
43.23 43.25 43.32 44.17 44.21 44.97 45.06 45.36 45.38 45.43 45.43 45.70 45.75 46.35 46.39 46.41 46.55 46.56 46.81 47.92 48.07 48.15 48.57 48.58 49.03 49.11 49.18 49.42 49.76
2.093 2.092 2.089 2.050 2.049 2.016 2.012 1.999 1.998 1.996 1.996 1.985 1.983 1.959 1.957 1.956 1.951 1.951 1.941 1.898 1.893 1.890 1.874 1.874 1.858 1.855 1.853 1.844 1.832
2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
0.6 0.4 0.7 4.0 4.1 4.5 3.6 7.5 4.9 0.4 4.3 4.3 4.4 7.0 0.9 0.8 0.7 0.6 2.2 15.0 1.8 1.7 2.7 2.6 0.5 6.9 6.0 0.1 0.4
BIK
Bi kitaite
_;I Zeolites
16:323-802,
1996
395
BOG
Boggsite
COMPOSITION:
Na2.9Ca7.s(Si77.5A118.30192).7OHzO Goble area, Oregon, U.S.A.
CRYSTAL
Imma (No. 74) a = 20.236 A b = 23.798 A Q = 9o” p = 90”
DATA:
REFERENCE:
h
k
0 0 1 2 1 2 2 0 0 3 0 1 0 2 2 3 1 2 4 2 1 4 3 0 0 3 0 1 2 4 3 2 0 1 2 5 4 0 1 1 2 5 3 2 3
2 1 0 0 2 2 1 3 0 0 4 1 2 3 0 2 4 4 0 2 3 1 1 5 4 4 1 0 5 3 3 4 6 2 1 0 4 3 5 6 6 2 0 3 2
396
1 0 1 1 0 1 0 1 1 2 1 0 2 2 1 2 1 1 0 0 2 2 1 2 1 2 1 3 3 1 1 2 2 0 3 3 1 0 3 2 1 0 1 3 3 3
20 7.43 7.84 8.17 8.74 11.05 11.48 11.75 13.13 13.84 14.85 14.89 14.99 15.72 15.79 16.39 16.62 17.01 17.29 17.53 18.02 18.34 19.23 19.48 19.90 20.38 21.09 21.16 21.28 21.77 21.96 22.19 22.21 22.41 22.57 22.93 23.05 23.08 23.68 23.71 23.90 24.10 24.25 24.69 25.29 25.82
Zeolites
d 11.899 11.272 10.816 10.118 8.004 7.708 7.529 6.742 6.399 5.967 5.949 5.910 5.636 5.611 5.408 5.334 5.213 5.129 5.059 4.924 4.836 4.615 4.556 4.461 4.357 4.213 4.199 4.174 4.082 4.047 4.007 4.002 3.966 3.939 3.878 3.859 3.854 3.757 3.753 3.724 3.693 3.671 3.606 3.522 3.451
16:323-902,
c = 12.798 A y = 90”
3. J. Pluth and J. V. Smith, Am. Mineral. 75, 501-507 (1990).
M
I Rl
2 4 4 2 8 4 8 4 2 4 2 8 4 8 4 8 8 4 2 8 8 8 8 4 4 8 4 4 8 8 8 8 2 8 8 4 4 4 8 8 4 8 4 8 8
23.6 85.7 19.7 21.4 5.6 2.2 2.1 15.1 0.2 9.4 1.3 3.2 8.2 1.5 2.4 0.1 1.2 0.2 5.5 5.7 0.2 0.3 5.8 38.4 34.0 3.9 1.1 1.9 0.2 0.3 12.3 2.0 3.1 0.3 1.9 100.0 0.2 14.5 2.4 0.7 7.2 15.5 35.5 8.1 1.3
1996
hkl 1 5 6 0 4 3 3 4 6 6 0 2 0 5 0 3 2 6 4 0 1 2 5 1 1 3 1 2 5 7 0 4 5 5 7 3 3 2 4 0 6 3 6 3 5
4 1 0 6 5 5 6 4 2 1 0 6 5 3 2 4 0 3 3 8 7 2 0 3 6 1 8 8 2 0 4 6 5 6 2 7 3 4 0 8 5 6 4 8 4
3 2 0 2 1 2 1 2 0 1 4 2 3 2 4 3 4 1 3 0 2 4 3 4 3 4 1 0 3 1 4 2 2 1 1 2 4 4 4 2 1 3 2 1 3
20
d
M
I rel
hkl
26.08 26.32 26.43 26.44 26.64 26.83 26.99 27.01 27.49 27.61 27.88 27.89 28.09 28.42 28.90 28.96 29.28 29.62 29.62 30.04 30.09 30.24 30.44 30.45 31.10 31.17 31.18 31.34 31.38 31.73 31.75 31.90 32.23 32.37 32.63 32.65 32.98 33.00 33.13 33.21 33.30 33.59 33.60 33.66 34.05
3.417 3.386 3.373 3.371 3.346 3.323 3.303 3.301 3.245 3.231 3.200 3.198 3.177 3.141 3.090 3.083 3.051 3.016 3.016 2.975 2.970 2.955 2.936 2.936 2.875 2.870 2.868 2.854 2.851 2.820 2.818 2.805 2.778 2.766 2.744 2.743 2.716 2.715 2.704 2.697 2.690 2.668 2.667 2.662 2.633
8 8 2 4 8 8 8 8 4 8 2 8 4 8 4 8 4 8 8 2 8 8 4 8 8 8 8 4 8 4 4 8 8 8 8 8 8 8 4 4 8 8 8 8 8
5.5 36.4 2.8 71.1 0.7 7.8 9.9 1.2 0.7 1.5 3.2 10.4 3.7 2.0 0.1 6.1 3.8 0.3 0.1 10.2 0.3 0.4 6.1 3.5 7.0 3.7 0.6 0.9 0.2 1.1 5.3 0.3 5.7 1.5 0.6 0.1 0.6 1.4 0.4 0.1 0.2 4.1 0.6 0.2 17.3
1 2 0 7 1 8 6 7 0 3 8 2 4 0 1 2 5 7 3 5 6 0 8 2 5 5 7 1 8 6 7 7 3 3 0 0 6 3 9 3 4 0 2 8 5
5 8 9 4 0 0 3 3 6 5 1 1 4 3 9 6 7 0 0 3 6 10 3 3 6 8 2 4 4 5 5 6 9 8 5 9 8 4 0 10 3 8 10 1 0
4 2 1 1 5 0 3 2 4 4 1 5 4 5 2 4 2 3 5 4 2 0 1 5 3 1 3 5 0 3 2 1 2 3 5 3 0 5 1 1 5 4 2 3 5
28
d
M
I rel
34.05 34.41 34.64 35.22 35.35 35.49 35.78 35.92 36.07 36.36 36.40 36.40 36.50 36.90 37.05 37.18 37.29 37.58 37.58 37.59 37.73 37.80 37.99 37.99 38.13 38.20 38.37 38.55 38.68 38.95 39.08 39.20 39.21 39.26 39.99 40.12 40.43 40.63 40.74 40.82 41.13 41.45 41.45 41.68 41.75
2.633 2.607 2.589 2.548 2.539 2.529 2.510 2.500 2.490 2.471 2.468 2.468 2.462 2.436 2.426 2.418 2.411 2.393 2.393 2.393 2.384 2.380 2.368 2.368 2.360 2.356 2.346 2.336 2.328 2.312 2.305 2.298 2.298 2.295 2.254 2.247 2.231 2.220 2.214 2.211 2.195 2.179 2.178 2.167 2.163
8 8 4 8 4 2 8 8 4 8 8 8 8 4 8 8 8 4 4 8 8 2 8 8 8 8 8 8 4 8 8 8 8 8 4 4 4 8 4 8 8 4 8 8 4
0.2 0.2 13.3 2.4 0.3 3.0 0.4 1.9 0.9 2.1 0.8 0.7 0.3 6.4 0.2 0.5 0.9 2.0 0.7 2.8 0.6 0.3 0.9 2.2 4.6 1.4 0.3 0.1 1.3 0.4 0.4 2.8 0.4 1.2 0.4 2.7 0.2 0.5 0.8 0.4 0.1 0.3 0.1 0.5 1.1
BOG
Boggsite
3
7
Zeolites
16:323-602,
1996
397
BPH
Beryllophosphate-H
COMPOSITION:
Na7K7(Be14P14056).20H20
CRYSTAL
P321 (No. 150) a = la.5815 A’ b = 12.5815 A o! = 90” p = 90”
DATA:
REFERENCE
h
k
0 1 0 101 1 0 1 2 0 10 2 1 0 210 0 2 121 2 0 10 3 113 12 2 0 2 2 0 3 2 3 014 1 1 3 12 2 2 1 0
0 0 1
398
1 1 0 1
1 0 0 2 1 1 0 0 12 2 01 1 2 0 3 2 0
2 2
1 1
1 3 3
01 2 12 2 0 2 3 0 2 1 0 3 1
3 3 0 2 2 1 0 4 1 1 3
13 2 2 1 4 3 3
20 7.10 8.11 10.79 10.79 14.08 14.23 15.78 16.27 16.40 16.40 17.77 20.07 21.41 21.58 21.68 21.68 22.74 22.74 22.93 22.93 25.55 25.72 25.94 25.94 27.01 27.01 28.37 28.45 28.45 29.29 29.56 29.85 29.85 30.44 30.44 30.58 30.58 31.88 32.08 32.77
Zeolites
d 12.451 10.896 8.200 8.200 6.291 6.225 5.615 5.448 5.405 5.405 4.991 4.425 4.150 4.118 4.100 4.100 3.910 3.910 3.878 3.878 3.487 3.464 3.435 3.435 3.301 3.301 3.145 3.137 3.137 3.050 3.022 2.993 2.993 2.937 2.937 2.923 2.923 2.807 2.790 2.733
16:323-802,
c = 12.4508 A y = 120”
G. Harvey, Ch. Baerlocher and T. Wroblewski, Z. Kristallogr. 201, 113-123 (1992).
M
I rel
2 6 6 6 6 2 12 6 6 6 6 12 2 12 6 6 12 12 6 6 6 12 12 12 6 6 6 6 6 12 12 6 6 12 12 12 12 12 12 6
68.8 100.0 1.3 0.1 2.6 2.4 7.5 1.1 0.5 1.5 1.3 1.8 2.9 9.1 3.8 2.6 24.3 15.5 0.9 14.3 4.3 11.2 6.1 12.6 0.1 0.4 6.3 9.4 2.1 20.4 5.9 0.1 0.2 1.4 16.1 5.9 10.8 27.3 47.5 5.6
1996
h
k
1
3 4 13 312 0 2 0 4 2 3 4 0 12 2 2 3 13 3 0 4 0 141 4 2 3 1 0 0 2 14 2 5 13 3 0 5 2 3 12 2
0 0
3 0 2
2 4 0 4 41 01 2 3 2 0 0 2 0 5 4 1 4 31 21 3 13 15 1 0 3 4 1 3 2 1 4 2 0 2 0 1 51 01 3 2 15
1 2 2 5 3 5 5 2 4 0 4 4
3 3 5
28
d
M
Ire1
h
k
32.77 32.88 32.95 32.95 33.15 33.15 33.68 33.68 35.82 35.93 35.99 36.07 36.17 36.17 36.67 36.67 36.79 36.79 37.03 37.84 38.07 38.55 38.55 38.82 38.82 38.90 39.57 39.80 39.80 40.62 40.78 41.43 41.65 41.65 42.09 42.09 42.20 42.20 42.42 42.42
2.733 2.724 2.719 2.719 2.703 2.703 2.661 2.661 2.507 2.500 2.495 2.490 2.483 2.483 2.451 2.451 2.443 2.443 2.428 2.378 2.363 2.336 2.336 2.320 2.320 2.315 2.277 2.265 2.265 2.221 2.213 2.179 2.168 2.168 2.147 2.147 2.141 2.141 2.131 2.131
6 6 12 12 6 6 6 6 12 12 6 2 12 12 12 12 12 12 6 12 6 12 12 12 12 12 6 6 6 12 12 6 12 12 6 6 12 12 12 12
3.4 10.1 4.4 4.3 0.2 1.4 1.9 0.4 4.3 4.4 0.2 1.6 9.1 5.2 0.8 1.9 0.4 1.5 2.9 1.8 0.1 0.4 0.6 0.3 1.5 1.8 0.6 0.7 0.5 0.6 2.1 9.2 6.6 3.7 0.6 1.3 2.1 1.5 0.5 1.0
3 0 3 14 413 0 5 0 0 4 10 2 4 3 116 510 2 4 2 2 3 0 2 151 511 0 5 13 3 414 3 15 5 1 2 2 4 0 4
3 0 0 6 31 3 5 0 3 4 0
1
2 2 5 4 4 6
41 21 3 2
4 2 2 3 2 2 0
2 2 5 4 4 6 6
5 0
3 3 5
15 3 1 2 1 4 2 4 0
3 2 2 6 6 3 3 5 5
28 43.14 43.62 43.78 43.88 43.88 44.02 44.02 44.09 44.18 44.18 44.44 44.60 44.60 45.65 46.06 46.40 46.45 46.45 46.51 46.60 46.60 46.85 46.85 47.00 47.00 47.10 47.10 47.30 47.30 48.16 48.65 48.78 48.78 49.16 49.16 49.41 49.41 49.60 49.60
d
M
Ire1
2.097
6 2 12 12 12 6 6 6 6 6 6 12 12 12 12 12 12 12 12 12 12 6 6 12 12 6 6 12 12 12 12 12 12 12 12 12 12 6 6
4.5 3.0 2.7 1.4 4.7 0.7 1.6 0.1 0.2 0.3 0.3 0.2 1.5 0.7 0.8 4.1 0.3 1.4 0.4 0.2 0.2 0.2 1.1 1.7 0.6 1.7 0.4 1.8 1.8 0.5 0.2 0.3 0.2 0.9 0.6 0.2 1.0 0.2 0.1
2.075 2.068 2.063 2.063 2.057 2.057 2.054 2.050 2.050 2.038 2.032 2.032 1.987 1.971 1.957 1.955 1.955 1.952 1.949 1.949 1.939 1.939 1.933 1.933 1.929 1.929 1.922 1.922 1.889 1.872 1.867 1.867 1.853 1.853 1.845 1.845 1.838 1.838
BPH
Beryllophosphate-H
J 3
Zeolites
16:323-602,
1996
399
BRE
Brewsterite
COMPOSITION:
(K~.~~B~.~~Sr~.~~)(Si~~Al~0~~)~1OH~O Strontian, Argyll, Scotland.
CRYSTAL
P121/m 1 (No. 11) unique axis b a = 6.793 A b = 17.573 A c = 7.759 A p = 94.54” a = 9o” y = 90”
DATA:
J. L. Schlenker, J. J. Pluth and J. V. Smith, Acta Cryst. B33, 2907-2910 (1977).
REFERENCE:
h
k
1
20
d
0 0 0 1 1 0 1 -1 -1 1 1 0 -1 1 0 1 -1 0 0 0 1 1 0 -1 -1 2 -1 2 1 1 -1 0 0 -2 1 2 -2 1 1 2 -2 -1 2 2 -1
2 0 1 0 1 2 2 0 1 0 1 3 2 3 4 2 3 0 4 1 3 4 2 0 1 0 4 1 4 0 2 3 5 0 1 2 1 5 2 0 2 3 1 3 5
0 1 1 0 0 1 0 1 1 1 1 1 1 0 0 1 1 2 1 2 1 0 2 2 2 0 1 0 1 2 2 2
10.07 11.44 12.50 13.07 14.02 15.26 16.53 16.70 17.45 18.08 18.78 19.00 19.54 20.04 20.21 20.74 22.61 23.00 23.28 23.55 23.65 24.15 25.16 25.60 26.11 26.32 26.33 26.81 27.25 27.45 27.58 27.64 27.88 27.92 27.92 28.25 28.38 28.61 29.30 29.63 29.74 29.87 30.07 30.49 30.51
8.787 7.735 7.079 6.772 6.319 5.806 5.364 5.307 5.081 4.906 4.725 4.670 4.543 4.430 4.393 4.284 3.933 3.867 3.820 3.777 3.761 3.686 3.540 3.479 3.413 3.386 3.384 3.325 3.273 3.249 3.235 3.227 3.200 3.196 3.195 3.159 3.144 3.120 3.048 3.015 3.004 2.991 2.972 2.931 2.930
1 1 2
0 1 0 2 1 1 2 1
0 1
400 Zeolites
16:323-802,
M 2 4 2 4 4 4 2 4 2 4 4
I rel 5.3 5.4 18.8 43.0 100.0 2.9 0.5 18.6 58.5 22.5 31.1
79.8 75.6 1.1 1.0 5.0 35.6
18.9 10.0 30.4 0.7 13.2 4 2 4 2 4 4 4 2 4 4 4 2 4 4 4 4 4 2 4 4 4 4 4
25.9 1.9 28.6 0.6 3.2 2.7
69.2 1.3 0.6 0.3 5.7 10.0 23.0 2.1 3.0 28.6 41.2 10.4
9.3 5.9 18.0 56.5 41.1
1996
h k 0 6 0 4 1 2 1 -2 0 -1 1 2 2 -2 -2 1 0 -2 0 -1 0 -2 1 2 -1 0 -1 2 -1 2 2 -2
0 1 -1 -2 2
0 1 0 1 2 -1 -2 -1 1 2
5 2 3 3 6 4 6 4 3
0 1 4 5 4 0 6 1 2 6 4 0 2 5
0 1 5 1 3 7 5 2 5 2 3 7 6 1 5 3 4 7 2 3
1 0 2 1 1 2 1 1 2 0
0 1 2 2 2 2 1 3 1 3 2 1 1 3 3 2 2 3
0 2 2 1 2 3 1 2 3 0 2 3 1 3 2 1 3 2
28 30.52 30.80 31.31 31.36 31.48 31.90 32.69 32.84 33.33 33.41 33.42 33.78 34.17 34.33 34.48 34.71 34.80
34.99 35.18 35.33 35.70 36.13
36.29 36.31 36.33 36.63 36.66 36.86 37.00 37.20 37.67 37.70 37.75 38.06
38.09 38.14 38.23 38.56 38.68
d 2.929 2.903 2.857 2.852 2.841 2.806
2.739 2.727 2.688 2.682 2.681 2.654 2.624 2.612 2.601 2.585 2.578 2.564 2.551 2.540 2.515 2.486 2.475 2.474 2.473 2.453 2.451 2.438 2.430 2.417 2.388 2.386 2.383 2.364 2.363 2.360 2.354 2.335 2.328 2.288 2.280 2.272
39.37 39.52 39.68 39.72 2.269 39.73 2.269 39.84 2.263
M
1x1
2 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 2 4 4 4 4 4 2 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4
13.8 7.1 7.9 0.4 6.4 18.3 13.7 23.8 1.1 9.9 10.1 0.6 14.1 2.8 3.5 0.2 22.0 0.8 0.1 5.0 13.5 8.6 1.4 4.9 3.4 5.0 5.5 0.6 0.2 11.2 1.4 3.1 4.9 7.0 1.8 0.1 16.8 3.4 3.5 0.5 1.6 9.5 1.4 1.9 8.6
h lc 1 20 3 0 0 39.94 -1 3 1 0 2 -3 0 3 1 1 -2 -1 -3 2 -2 3 -2 -2 3 3
0 1 0 -2 -3 1 3 -1 -1 -1 -3 2 2 3 -3 -2 1 3 1 -3 2 -2 -3 -2
6 1 7 4 6 1 8 2 3 6 6 4 2 4
0 01 1 5 1 3 7 8 5 2 3 4 2 7 8 5
0 7 5 4 1 3 8 3 7 4
2 0 1 3
0 1
0 0 3 2 1 3 1 2 3 3 2 1
40.25 40.28 40.36 40.57 40.73 41.08 41.09 41.29 41.42 41.51 41.83 41.89 42.08 42.19 42.35 42.60 42.67
42.69 42.93 0 42.94 2 42.95 0 3 3 1 3 1 2 1 3 2
43.30 43.53 43.64 43.70 43.70
43.89 44.50 44.64 44.78 44.86
0 44.95 2
0
0
2 3 1 1 2 1 3
7 2 6
2 2
45.07 45.16 45.17 45.22 45.23 45.46 45.67
45.89 45.90 1 45.97 46.10 46.16
d
M
IreI
2.257 2.241 2.239 2.235 2.224 2.215 2.197 2.197 2.186 2.180 2.175 2.159 2.157 2.147 2.142 2.134 2.122 2.119 2.118 2.107 2.106 2.106 2.089 2.079 2.074 2.071 2.071 2.063 2.036 2.030 2.024 2.020 2.017 2.012 2.008 2.007 2.005 2.005 1.995 1.987 1.977 1.977 1.974 1.969 1.966
2 4 4 4 4 4 4 2 4 4 4 4 4 4 4 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 2 4 4 4
0.7 0.7 3.8 3.1 7.6 8.6 0.8 8.5 1.4 3.0 1.1 1.2 2.0 6.5 11.7 1.6 7.7 2.3 4.6 0.2 10.3 0.5 0.2 1.7 0.2 1.9 7.7 5.9 2.0 4.4 20.8 7.3 0.3 0.1 0.3 0.2 0.2 1.1 0.8 2.6 10.6 1.5 1.6 1.7 0.1
Brewsterite
Zeolites
16:323-602,
1996
401
CAN
Cancrinite
COMPOSITION:
Na~C~,~(Si~Als0~4)~1.4C03~2.lH20 Synthetic crystal.
CRYSTAL
P63 (NO. 173) a = 12.635 A cy = 90”
DATA:
Y. I. Smolin, Kristallografiya
REFERENCE:
hkl 1 1 2 1 1 2 1 2 3 1 2 2 1 3 3 4 1
402
28 0 1
0 0
0 0 0 2 1 1 0
0 2 1 2 3 1 0 0 3
1 0 0 1 1 0 1 1 0 0 0 1 0 1
8.08 14.02 16.20 19.15 21.49 21.49 22.36 23.81 24.40 27.74 27.74 28.25 29.43 29.43 30.09 32.74 34.36
Zeolites
d 10.942 6.318 5.471 4.634 4.136 4.136 3.975 3.736 3.647 3.216 3.216 3.159 3.035 3.035 2.970 2.736 2.610
16:323-802,
c = 5.115 A y = 120”
Y. F. Shepelev, I. K. Butikova 26? 63-66 (1981).
A4
Ire1
h
k
1
6 6 6 12 6 6 12 12 6 12 12 6 6 6 12 6 12
2.0 63.7 1.6 100.0 1.0 6.8 0.7 3.8 61.5 58.4 54.7 0.4 2.0 1.6 5.9 43.5 17.7
3 0 2 3 1 4 1 4 1 2 2 3 5 1 2 1 4
1 0 3 2 0 0 4 1 1 0 3 2 0 2 1 4 1
1 2
1996
b = 12.635 A p = 90”
0 0 2 1 0 0 2 2 1 1 0 2 2 1 1
and I. B. Kobyakov,
28
d
M
IreI
hkl
34.36
2.610 2.557 2.510 2.510 2.490 2.412 2.388 2.388 2.371 2.317 2.254 2.254 2.188 2.175 2.175 2.164 2.164
12 2 6 6 12 12 6 6 12 12 12 12 6 12 12 12 12
13.7 42.6 1.4 0.9 1.1 35.0 1.8 1.1 1.2 1.8 9.1 10.6 2.0 1.6 2.0 6.8 6.4
3 3 2 4 5 2 1 5
35.09 35.77 35.77 36.06 37.27 37.67 37.67 37.95 38.87 40.01 40.01 41.25 41.51 41.51 41.75 41.75
1 3 2 4 4 1 5
3
28 0 42.95
2.106
0
2
2.094
4 2 0 2 5 1 3 1 4 2
0 0
0 5 1
1 2 0 0 2 2 1 1 2 1 1
43.20 43.78 43.78 45.06 45.64 46.19 46.19 46.43 46.43 47.42 47.42 48.74 49.70 49.70
d
2.068 2.068 2.012 1.988 1.965 1.965 1.956 1.956 1.917 1.917 1.868 1.835 1.835
M
Ire1
6 12 6 6 12 12 6 6 12 12 12 12 12 12 12
23.5 12.9 0.4 0.2 5.9 0.5 0.3 0.4 0.4 0.5 1.1 0.5 13.4 0.5 0.3
Cancrinite
J i
Zeolites
16:323-802,
1996
403
CAN
Tiptopite
COMPOSITION:
K~(Li2.gNa~,7C~.~~o.~)[BesPsO~~(OH)~]~1.3H~O; Tip Top Mine, Custer, S. Dakota, U.S.A.
CRYSTAL
P63 (NO. 173) a = 11.655 A ck = 90”
DATA:
REFERENCE:
hkl
28
1
0
0
1 2 1 1 2 1 2 3 1 2 1 3
1 0 0 2 1 1 0 0 2 1 3 1
0 0 1 0 0 1 1 0 1 1 0 0
404
8.76 15.20 17.57 20.88 23.32 23.32 24.35 25.93 26.49 30.19 30.19 31.97 31.97
Zeolites
d 10.093 5.827 5.047 4.255 3.815 3.815 3.655 3.436 3.364 2.960 2.960 2.799 2.799
16:323-802,
b = 11.655 A /3 = 90”
00.7
= cation
vacancy.
c = 4.692 A y = 120”
D. R. Peacor, R. C. Rouse and J. H. Ahn, Am. Mineral. 72, 816-820 (1987).
M
Ire1
h
k
1
28
d
M
IreI
h
k
6 6 6 12 6 6 12 12 6 12 12 6 6
0.8 9.0 5.5 13.4 38.8 2.0 31.9 20.2 44.1 34.2 100.0 0.7 0.8
3 4 1 3 0 2 3 1 4 1 4 1 2
0 0 3 1 0 3 2 0 0 4 1 1 3
1 0 1 1 2 0 0 2 1 0 0 2 1
32.75 35.58 37.41 37.41 38.37 38.89 38.89 39.43 40.59 40.97 40.97 41.49 43.59
2.734 2.523 2.404 2.404 2.346 2.316 2.316 2.285 2.222 2.203 2.203 2.176 2.077
12 6 12 12 2 6 6 12 12 6 6 12 12
3.5 43.2 1.7 3.1 31.8 1.3 3.7 1.2 20.6 2.4 2.7 7.7 10.5
3 1
2 2 1 4 1 3 0 4 2 0 2
1996
2 1 4 3 3 2 4 5 2
1 1 2 2 1 1 0 2 0 0 1 2
28
d
M
Ire,
43.59 45.38 45.38 45.49 45.49 46.76 47.23 47.67 47.67 49.13 49.91
2.077 1.998 1.998 1.994 1.994 1.942 1.924 1.908 1.908 1.854 1.827
12 12 12 12 12 6 12 6 6 12 12
4.2
3.2 4.1 0.9 1.7 11.7 1.0 0.3 0.1 0.6 2.0
Tiptopite
Zeolites
16:323-802,
1996
405
Cs-Aluminosilicate
COMPOSITION:
Cs4(Si24048)
CRYSTAL
Ama (no. 40) a = 16.776 A Q = 90”
DATA:
REFERENCE:
T. Araki, Z. Kristallogr.
h
k
1
28
d
M
I~J
2
0 2 2 1 1 2 0 1 1 2 4 3 4 3 4 3 1 2 4 3 0 1
0 0 0 1 1 0 0 1 1 0 0 1 0 1 0 1 1 0 0 1 0 1
10.55 12.80 16.62 18.80 19.54 20.43 21.18 21.60 24.68 24.83 25.77 26.25 26.32 26.79 27.91 28.36 28.47 29.59 30.40 30.81 32.01 32.75
8.388 6.914 5.335 4.719 4.543 4.348 4.194 4.113 3.607 3.586 3.457 3.395 3.386 3.328 3.196 3.147 3.135 3.018 2.941 2.902 2.796 2.735
2 2 4 4 8 4 2 8 8 4 2 4 4 8 4 8 8 4 4 8 2 8
0.2 1.7 0.9 2.0 2.9 1.1 0.7 48.3 100.0 53.4 20.8 17.8 22.3 39.4 5.7 6.1 1.9 12.8 8.6 14.1 5.1 10.4
0 2 0 1 3 4 2 3 4 0 0 1 1 2 2 4 5 3 3 6 5
406
Zeolites
16:323-802,
1996
152, 207-213
hkl 4 4 6 0 0 5 6 2 1 5 0 1 2 1 2 7 3 2 3 6 6 4
4 3 2 0 5 4 1 0 5 3 2 2 5 6 2 2 5 6 2 4 3 0
b = 13.828 h; p = 90”
0 1 0 2 1 0 1 2 1 1 2 2 1 0 2 0 1 0 2 0 1 2
c = 5.021 A y = 90”
(1980).
28
d
M
I rel
hkl
33.59 33.97 34.60 35.77 37.11 37.35 37.38 37.39 37.51 37.69 38.14 38.53 38.69 39.47 39.68 39.81 40.58 40.59 41.54 41.54 41.85 41.94
2.668 2.639 2.592 2.511 2.422 2.408 2.405 2.405 2.398 2.387 2.360 2.337 2.327 2.283 2.272 2.264 2.223 2.222 2.174 2.174 2.158 2.154
4 8 4 2 4 4 8 4 8 8 4 8 8 4 8 4 8 4 8 4 8 4
2.1 3.9 4.5 12.5 3.4 1.8 6.7 1.7 1.8 0.1 8.4 1.8 7.8 2.2 1.3 1.6 1.0 0.2 1.7 0.4 7.2 0.2
7 3 4 8 4 0 4 1 2 7 5 7 5 8 3 5 6 0 6 4 1
1 6 5 0 2 4 6 4 4 4 5 3 2 1 4 6 0 7 5 4 7
1 0 1 0 2 2 0 2 2 0 1 1 2 1 2 0 2 1 1 2 1
28
d
M
42.29 42.42 43.12 43.14 44.03 44.61 44.87 44.95 45.97 46.08 46.22 46.37 47.08 47.44 47.63 47.88 48.75 49.59 49.80 49.88 49.91
2.137 2.131 2.098 2.097 2.057 2.031 2.020 2.017 1.974 1.970 1.964 1.958 1.930 1.916 1.909 1.900 1.868 1.838 1.831 1.828 1.827
8 4 8 2 8 4 4 8 8 4 8 8 8 8 8 4 4 4 8 8 8
Ire1 4.5 1.8 4.3 2.4 3.4 0.3 1.0 3.7 1.0 0.2 1.5 2.6 4.0 0.6 4.1 4.8 3.4 5.7 1.8 1.9 0.7
CAS
Cs-Aiuminosilicate
3 >
0
8
Zeolites
16:323-602,
1996
407
CHA
Chabazite
COMPOSITION:
(K3.2Nao.75)(Sis.zAl3.sO~~).8.4H20 North East Azerbaijan, Iran.
CRYSTAL
R3m (No. 166) rhombohedral a = 9.459 A b = 9.459 A a = 94.07” p = 94.07”
DATA:
REFERENCE:
hkl 1 0 1 0 1 1 1 1 1 1 2 0 2 0 2 -1 2 1 2 1 2 0 2 1 2 2 2 2 3 0 3 0 2 2
408
0 -1 0 -1 1 0 -1 -1 -1 1 -2 -2 0 -1 0 -1 1
M. Calligaris, G. Nardin and L. Randaccio, Zeolites 3, 205-208 (1983).
20
d
Ad
Lel
hkl
9.40 12.79 13.81 15.90 17.53 18.87 20.45 22.24 22.86 24.61 25.74 27.46 27.83 28.46 28.46 29.32 30.38
9.408 6.922 6.412 5.575 5.059 4.704 4.342 3.996 3.891 3.617 3.461 3.248 3.206 3.136 3.136 3.046 2.942
6 6 6 6 2 6 12 6 12 6 6 12 6 6 6 12 6
100.0 15.3 1.4 6.9 12.6 7.3 40.6 3.8 26.7 23.3 4.0 3.0 7.2 0.5 2.4 1.2 4.3
3 3 3 2 3 3 3 3 3 3 2 4 3 4 3 4 3
Zeolites
16:323-802,
setting c = 9.459 A y = 94.07”
1996
-1 -1 1 0 1 -1 2 -2 1 1 0 -2 -1 -2 1 -2 2 0 1 2 2 -3 0 0 2 -2 0 -1 0 -3 0 -2 3 0
28
d
30.40 30.73 31.31 32.11 33.08 33.10 34.27 34.69 35.60 37.87 37.99 38.27 38.75 38.75 39.04 41.60 42.29
2.940 2.909 2.856 2.788 2.708 2.706 2.616 2.586 2.522 2.376 2.368 2.352 2.324 2.324 2.307 2.171 2.137
b!l
Ire1
6 12 12 6 6 12 12 12 12 12 6 6 12 12 6 12 6
63.6 38.2 0.9 3.2 5.0 1.7 10.4 4.3 14.4 0.9 0.6 0.7 4.6 0.1 6.9 1.5 0.1
h 4 3 4 3 4 3 4 4 4 4 4 5 3 5 3
k
1
20
d
M
Ire,
1 2 1 2 2 3 2 2 0 -1 1 0 3 0 3
1 2 -2 -3 0 1 -1 1 -3 -3 -3 0 2 -1 -3
42.29 42.37 43.09 43.70 44.36 44.43 44.45 46.43 46.46 47.35 47.67 48.37 48.59 48.62 49.01
2.137 2.133 2.099 2.071 2.042 2.039 2.038 1.956 1.955 1.920 1.908 1.882 1.874 1.873 1.858
6 6 12 12 12 6 12 12 12 12 12 6 6 12 6
0.6 0.2 5.9 2.7 0.1 1.3 1.0 1.7 0.5 1.6 0.4 5.4 3.1 0.3 0.3
CHA
Cha bazite
Zeolites
16:323-602.
1996
409
CHA
Methylbutylamine
SAPO-47
COMPOSITION:
(Als.&~.4P4.s0~~)~1.4C~H~~NH2~2.5H20
CRYSTAL
148) rhombohedral setting b = 9.3834 A c = 9.3834 A LY = 94.085” 0 = 94.085” “i = 94.085”
DATA:
R5 (No.
a = 9.3834 A
J. J. Pluth and J. V. Smith, J. Phys. Chem. 93, 6516-6520
REFERENCE:
hk I
0
1 1 1 1 2 2 2 2 2 2 1 2 2 2 1 2 2 3 3 2 3 3 3
0 0 -1 1 0 -1 0 0 1 -1 -1 -1 1 0 -2 -2 0 -1 0 1 -1 0 1
410
128 0 -1 1 1 1 0 0 -1 1 0 -1 2 1 1 -2 2 1 2 0 -1 2 -1 1 0
9.48 12.89 13.93 16.02 17.68 19.02 20.62 20.62 21.94 21.94 22.42 23.04 23.04 24.82 25.95 27.68 27.68 28.06 29.56 29.56 30.64 30.65 30.99 30.99
Zeolites
d 9.332 6.867 6.359 5.531 5.017 4.666 4.308 4.308 4.051 4.051 3.965 3.859 3.859 3.587 3.434 3.223 3.223 3.180 3.021 3.021 2.918 2.917 2.885 2.885
16:323-802,
Ad
I rel
h
k
1
20
6 6 6 6 2 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6
100.0 34.9 2.4 14.6 8.9 0.3 45.3 23.7 0.4 3.7 3.0 0.4 7.0 26.9 9.7 0.8 1.7 3.1 0.6 1.7 7.9 24.9 4.6 5.3
3 3 2 3 3 3 3 3 1 3 2 3 3 3 2 4 2 3 4 3 4 4 4 4
-1 1 -2
1 -1 2 1 0 -2 -1 -2 3 1 3 2 2 1 2 0 3 2 -1 -3 -1 1 -1 0
31.57 31.57 32.37 33.36 33.37 33.37 34.56 34.56 34.98 34.98 35.90 35.90 38.20 38.20 38.30 38.59 39.07 39.07 39.07 39.36 39.74 40.85 40.85 41.95
1996
1 -2 0 -2 -1 -2 -2 0 0 1 2 -3 0 -2 -2 0 0 -1 -1 1 -2
d 2.834 2.834 2.766 2.686 2.685 2.685 2.596 2.596 2.565 2.565 2.501 2.501 2.356 2.356 2.350 2.333 2.305 2.305 2.305 2.289 2.268 2.209 2.209 2.154
(1989)
A4 Ire] 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6
0.8 1.5 1.6 2.9 0.4 0.8 2.1 3.3 0.9 0.3 1.8 2.5 0.1 0.2 0.4 1.0 0.2 0.2 0.2 0.7 2.7 0.1 0.2 0.2
h
k
1
26
d
M
Ire,
4 3 4 3 3 4 4 4 4 2 3 4 3 3 4 4 4 4 2 4 4 1 5 3
0 0 1 2 -1 -2 -1 -2 1 -3 -3 0 1 -2 -2 1 -3 0 -2 -3 -1 -3 0 2
-2 3 1 2 3 -1 -2 1 -2 3 2 2 3 3 -2 2 0 -3 4 -1 -3 4 0 3
41.95 42.65 42.65 42.74 42.74 42.75 42.75 43.45 43.45 44.06 44.06 44.74 44.82 45.09 45.77 46.84 46.85 46.85 47.09 47.75 47.75 48.07 48.79 49.02
2.154 2.120 2.120 2.116 2.115 2.115 2.115 2.083 2.083 2.055 2.055 2.026 2.022 2.011 1.982 1.940 1.939 1.939 1.930 1.905 1.905 1.893 1.866 1.858
6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6
0.1 1.1 0.9 0.3 0.9 0.3 0.1 1.0 1.5 0.1 0.3 0.2 0.1 0.6 0.2 0.2 0.6 0.3 0.1 1.2 2.2 0.1 3.8 1.5
Methylbutylamine
co
0
z
z
v)
0
u 0
CHA
SAPO-47
cr) 0
N 0
r
0
Zeolites
0
16:323-802,
1996
411
-CHI
Chiavennite
COMPOSITION:
CRYSTAL
Ca4Mn4(SizoBe8Os2(OH)8).8HzO Val di San Giacomo, Chiavenna, P2lab
DATA:
(No.
a = 8.729
A
cr = 90” REFERENCE:
hkl
20
0 0
2 4 2 4 6 0 2 6 3
1
1 0 0
0 1 0 2 1 2
0 1 1
0 0 2 1
0 1 1 2 1
0 2 2 2 0 2 1 0 2 1 2 2 1 3
0 0 0 0 0 1 1 0 1
0
0
1 2 4 2 3 8 5 4 4 6 8 5 6 6 7 0 1 2 10 3 7 8 4 10 8 5 8 2
1
412
0 1 1 1
0 1
0 1 1
0 1
0 1 1 1 1 1 0 1 1 1 1 0
0 1 1
0
5.64 11.30 11.61 15.20 16.98 18.09 18.97 19.81 20.01 20.35 20.97 21.13 21.38 21.55 22.47 22.71 23.03 23.33 23.71 24.91 24.92 25.22 26.62 26.96 26.97 27.36 27.51 27.95 28.49 28.69 28.88 29.19 29.68 30.31 30.67 30.92 30.97 31.27
Zeolites
d 15.663 7.831 7.625
5.829 5.221 4.903 4.679 4.481 4.438 4.365 4.236 4.204 4.156 4.124 3.956 3.916 3.861 3.812 3.752 3.574 3.573 3.531
3.349 3.308 3.305 3.260 3.243 3.192 3.133 3.112 3.091 3.060 3.010 2.949 2.915 2.892 2.888 2.861
16:323-802,
29) cab setting b = 31.326 A p = 90”
Italy,
c = 4.903 A y = 90”
V. Tazzoli, M. C. Domeneghetti, F. Mazzi and E. Cannillo Eur. J. Mineral. 1995 (in press)
M
I rel
hkl
2 2
100.0 11.2 4.6 17.7 0.5 15.0 1.3
2 3 1 0 2 0 2 3 1 2 1 3 3 0 0
4 4 2 2 4 4 4 2
2.9
4 4 8 8 2 4 4 8 4 4 8 4 8 4 4
6.1 17.0 12.4 0.7 3.1 3.7 7.7 17.5 1.6 10.5 3.3 5.2 2.0 1.1 1.0 0.9 0.9 2.5
8
0.1
8 2 8 8 4 8 4 4 8
7.3 0.2
0 1 2 2
2.9
0
2.8 2.0 18.2 4.2 1.1 2.8 0.4 0.6
1 3 4 1 0 4 1
8
8 4
1996
0 3 0
0 2 1 0 3 1
0
0
6 4 9 10 7 12 10 6 10 8 12 1 2 11 0 1 3 2 3 9 11 4 8 2 12 5 4 10 12 14 12 7
1
0 1 1 1 0 0
0 1 1 0 1 1 1 2 2 1 2 2 1 1 2
0 2 1 2 2 1
0 0 1 1
0
0
14 13 2 6 7
0 1 0 2 2
28
d
M
I rel
h
k
1
32.38 32.84 33.19 33.96 34.02 34.35 35.27 35.31 35.53 35.84 35.91 36.01 36.36 36.49 36.66 36.77 36.94 37.12
2.765 2.727 2.699 2.640 2.635 2.610 2.545 2.542 2.527 2.505 2.501 2.494 2.471 2.463 2.452 2.444 2.433 2.422 2.387 2.379 2.370 2.340 2.336 2.334 2.304 2.283 2.260 2.259 2.240 2.238 2.228 2.184 2.182 2.168 2.163 2.161 2.151 2.150
8 4 8 4 8 2 4 4 8 8 4 8 8 4 2 4 8 4 4 8 8 4
23.7 0.1 0.2 1.3 1.8 2.0 1.3 0.6 1.3 7.5
2 2 2 3 2 3 4 2
11
1 2 2 0 2 1
37.69 37.81 37.96 38.48 38.55 38.58 39.09
39.47 39.89 39.91 40.25 40.31 40.49 41.34 41.37 41.67 41.77 41.79 42.01 42.02
4 8 4
4 8 8 4 2 8 8 2 4 4 4 8 4
0.9 0.4 1.8 2.3 1.0 0.5 1.0 1.2 0.1 1.0 0.2 2.4 0.8 0.4 3.1 1.4 0.7 1.1 0.2 0.5 0.1 1.8 2.2 1.1 0.1 3.0 0.5 0.1
0
2 2 3 2 1 4
1 10 2 8 4 3 8 4 12 9 5 8 6
0
9
4 4 1 2 4 4 0 3 1 3 2 4 0 2 4 4 1 3 1 2 4 2
0 1 14 6 2 3 16 10 9 12 13 4 10 7 8 5 10 11 15 8 6 14
0
28
d
M
Ire1
42.13 42.28 42.39 42.40
2.145 2.137 2.132 2.132 2.118 2.109 2.102
8 4 8 4 8 8 4
1.3 2.3 0.5 0.2 0.3 0.7 0.8 0.3 2.0 2.5 0.8 0.1 1.3 0.7 0.4 0.4 1.2 0.2 0.4 3.9 1.0 0.2 0.5 0.2 0.3 0.4 0.2 0.4 2.4 0.4 0.8 0.6 0.5 0.2 0.5 0.2 0.3 3.1
42.69
1 2 1 1 2 1
42.89 43.03 43.20 43.56 43.91 44.46 44.60 44.80 44.84 45.02 45.24 45.49 45.59 45.77 45.87 45.88 46.36 46.38 46.45 46.49 46.75 46.88 47.03 47.07 47.12 47.71 47.88 48.28 48.42 48.51 48.52 48.90
1
49.40
0 2 2 2 1 1 2 2
0 2 1 1 1 2 1 1 0 1 2
0 1 1 2 2
0
2.094
8
2.078 2.062 2.038 2.032 2.023 2.021 2.013 2.004 1.994 1.990 1.982 1.978 1.978 1.958 1.958 1.955 1.953 1.943 1.938 1.932 1.931 1.929 1.906 1.900 1.885 1.880 1.876 1.876 1.862 1.845
4 8 8 8 8 8 4 4 4 8 8 8 8 8 2 8 8 4 8 8 4 8 4 8 8 8 8 8 8 8
-CHI
Chiavennite
Zeolites
16:323-802,
1996
413
-CL0
Cloverite
COMPOSITION:
(Ga7ssP7ss031ss)
CRYSTAL
FmSc (No. 226) a = 51.7120 A b = 51.7120 A cy= 90” /I?= 90”
DATA:
REFERENCE:
k
1
20
d
M
2 2 2 4 4 4 4 6 6 6 4 6 6 8 6 8 6 8 8 8 8 6 10 10 8 8 8 12 12 10 9 11 12 8 10 10 11
0 2 2 0 2 2 4 0 2 2 4 4 4 0 4 2 6 2 4 6 6 6 4 4 8 8 8 0 2 6 7 5 4 8 8 8 7
0 0 2 0 0 2 0 0 0 2 4 0 2 0 4 0 0 2 4 0 2 6 0 2 0 2 4 0 0 4 5 3 0 6 0 2 1
3.42 4.83 5.92 6.84 7.65 8.38 9.68 10.26 10.82 11.35 11.86 12.34 12.81 13.70 14.12 14.12 14.53 14.53 16.80 17.15 17.49 17.82 18.48 18.80 19.42 19.72 20.61 20.61 20.90 21.18 21.39 21.39 21.74 22.01 22.01 22.28 22.48
25.856 18.283 14.928 12.928 11.563 10.556 9.141 8.619 8.176 7.796 7.464 7.171 6.910 6.464 6.271 6.271 6.094 6.094 5.278 5.171 5.071 4.976 4.801 4.721 4.571 4.501 4.309 4.309 4.251 4.194 4.154 4.154 4.088 4.038 4.038 3.990 3.954
6 12 8 6 24 24 12 6 24 24 8 24 48 6 24 24 12 24 24 24 48 8 24 48 12 24 24 6 24 48 48 48 24 24 24 48 48
Zeolites
16:323-602,
QF = quinuclidinium
M. Estermann, L. B. McCusker, Nature 352, 320-322 (1991).
h
414
4192QF;
I rel 100.0 15.7 11.8 8.6 1.2 5.2 18.4 15.3 0.4 1.2 13.7 3.0 1.4 1.0 1.5 2.9 0.4 0.6 0.2 0.3 0.7 0.4 1.3 0.1 0.6 0.4 3.7 0.2 0.1 1.2 0.1 0.5 0.4 0.7 1.3 0.3 0.3
1996
h
k
1
20
d
12 11 13 10 12 12 12 14 10 14 10 12 12 14 12 12 13 10 14 10 14 12 14 10 14 12 16 14 16 12 12 12 16 14 14 17 15
4 7 3 8 6 6 6 0 10 2 10 8 8 4 6 8 7 8 4 10 6 10 8 10 8 8 4 8 4 10 12 12 6 8 10 3 9
4 3 1 4 0 2 4 0 0 0 2 0 2 0 6 4 3 8 4 6 2 2 0 8 2 8 0 4 2 6 0 2 0 6 0 1 1
22.81 23.01 23.01 23.07 23.07 23.33 24.09 24.09 24.34 24.34 24.59 24.83 25.07 25.07 25.31 25.78 25.96 26.02 26.02 26.48 26.48 27.16 27.82 28.04 28.04 28.47 28.47 28.68 28.68 28.89 29.31 29.52 29.52 29.72 29.72 29.88 30.28
3.898 3.865 3.865 3.854 3.854 3.812 3.694 3.694 3.657 3.657 3.621 3.586 3.552 3.552 3.519 3.455 3.432 3.425 3.425 3.366 3.366 3.284 3.207 3.183 3.183 3.136 3.136 3.113 3.113 3.090 3.047 3.026 3.026 3.006 3.006 2.991 2.951
c = 51.7120 y = 90” Ch. Baerlocher,
M Ire1 24 48 48 48 24 48 48 6 12 24 24 24 48 24 24 48 48 24 24 24 48 48 24 24 48 24 24 48 48 48 12 24 24 48 24 48 48
0.2 0.4 0.3 0.1 0.2 0.2 0.1 0.6 0.4 0.1 0.7 0.8 0.2 0.3 1.7 0.1 0.1 0.3 0.8 0.2 0.4 0.2 0.3 0.5 0.2 0.9 0.4 2.5 0.2 0.2 0.4 0.1 0.3 0.2 0.3 0.2 0.1
fluoride
A A. Merrouche
h
k
16 14 15 17 12 16 18 14 12 15 12 15 15 16 16 16 13 15 16 14 16 15 15 15 14 16 14 16 16 14 16 16 14 14 16 16
6 10 9 5 12 8 0 12 10 11 12 9 11 8 10 10 11 11 10 14 10 11 13 13 12 12 14 12 10 12 10 14 12 14 16 16
1 4 4 3 3 6 2 0 0 10 1 8 7 3 6 0 2 9 5 4 0 6 7 1 3 8 2 4 4 8 10 10 2 12 12 12 14
and H. Kessler,
28
d
30.33 30.53 30.68 31.08 31.13 31.13 31.13 31.91 32.10 32.25 32.48 32.63 32.63 32.67 32.67 32.86 33.37 33.37 33.42 34.33 34.33 34.47 34.47 34.83 34.87 34.87 35.05 35.40 35.58 36.44 37.12 37.12 38.29 40.38 44.89 46.74
2.947 2.928 2.914 2.877 2.873 2.873 2.873 2.805 2.788 2.776 2.756 2.745 2.745 2.741 2.741 2.725 2.685 2.685 2.681 2.612 2.612 2.602 2.602 2.576 2.573 2.573 2.560 2.535 2.523 2.465 2.422 2.422 2.350 2.234 2.019 1.944
48 48 48 48 24 48 6 24 24 48 24 48 48 48 24 48 48 48 48 12 48 48 48 48 48 48 24 48 48 48 24 48 24 24 24 24
0.2 0.3 0.1 0.5 0.2 0.6 0.1 0.2 0.1 0.4 0.4 0.1 0.4 0.1 0.1 1.0 0.1 0.2 0.4 0.3 0.1 0.6 0.1 0.2 1.6 0.1 0.2 0.4 0.6 0.2 0.2 0.3 0.2 0.3 0.1 0.1
Cloverite
Zeolites
16:323-602,
1996
415
CON
UT-1
COMPOSITION:
si560112
CRYSTAL
Cl 2/m 1 (No. 12) unique axis b, cell choice 1 a = 22.6242 A b = 13.3503 A c = 12.3642 A ck = 90” ,8 = 68.913” y = 90”
DATA:
REFERENCE:
h
k
0 1 2 2 1 -1 -2 0 3 3 2 0 0 2 4 4 -3 4 -2 2 -2 0 1 4 5 4 2 5 5 4 1 3 0 4 3 -2 -3 6 -4 6 2 3 -5 5 -1
0 1
416
1 1 0
0 0 01 1 1 0 2 1 1 0 2 0 2 0 0 1 0 2 2 0 2 3 2 1 2 0 1 1 2 1 1 0 0 3 2 1 0 2 0 2 3 1 1 3
1 1 1 0 1 0 2 1 2 0 1 0 1 2 1 2 2 2 0 1 1 0 3 0 2 2 3 3 3 3 0 2 2 2 1 0 3 2 1 3 2
28 7.66 7.84 8.38 9.10 9.85 11.98 13.25 13.26 13.85 14.23 14.61 15.34 15.36 15.71 15.75 16.80 18.22 18.25 18.79 19.78 20.02 20.35 20.39 20.65 20.73 21.46 21.56 22.08 22.17 22.63 22.95 22.99 23.13 23.21 23.66 24.09 24.14 24.44 24.82 25.31 25.40 25.67 25.82 25.98 26.55
Zeolites
d 11.536 11.283 10.555 9.722 8.975 7.387 6.681 6.675 6.394 6.225 6.062 5.778 5.768 5.642 5.625 5.277 4.869 4.861 4.722 4.488 4.434 4.364 4.354 4.302 4.285 4.140 4.121 4.025 4.009 3.929 3.874 3.868 3.845 3.833 3.761 3.694 3.686 3.642 3.588 3.518 3.507 3.471 3.450 3.430 3.358
16:323-802,
R. F. Lobo and M. E. Davis, J. Am. Chem. Sot. 117, 3766-3779 M
I rel
h
k
1
20
d
M
IreI
2 4 2 2 4 4 2 2 4 4 2
40.5 100.0 3.3 23.4 0.8 1.3 8.0 2.9 0.7 2.2 1.8 1.0 1.4 0.2 1.7 1.7 0.3 0.7 0.2 1.4 0.1 0.4 10.8 0.2 0.2 2.7 0.6 8.1 0.9 0.1 2.0 3.5 5.0 7.2 0.2 0.3 1.7 2.0 0.6 0.9 1.2 0.3 0.9 0.2 0.4
-4 0 6 0 6 2 7 6 2 5 5 4 -4 -2 7 -2 2 6 -3 -3 4 5 4 8 -5 -1 5 4 -4 -1 8 -2 8 -7 -4 -1 7 0 4 7 3 4 8 6 3
0 4 0 4 2 4 1 2 0 3 3 0 2 4 1 2 4 2 3 1 4 1 4 0 3 3 3 4 0 1 0 4 0 1 4 5 1 4 4 3 5 0 2 4 5
2 0 3 1 2 1 1 0 4 0 2 4 2 1 0 3 2 3 2 3 1 4 0 2 1 3 3 2 3 4 3 2 0 1 1 1 4 3 3 0 0 5 0 0 2
26.68 26.71 27.52 27.83 27.91 28.27 28.56 28.68 29.01 29.16 29.23 29.47 29.91 29.93 30.39 30.55 30.58 30.67 30.78 30.98 31.16 31.35 31.72 31.81 32.13 32.18 32.26 32.54 33.41 33.52 33.57 33.61 33.97 33.99 34.14 35.10 35.11 35.62 35.67 35.97 35.97 36.46 36.62 37.13 37.38
3.341 3.338 3.241 3.206 3.197 3.157 3.125 3.112 3.078 3.063 3.056 3.031 2.987 2.986 2.942 2.926 2.924 2.915 2.905 2.886 2.870 2.853 2.821 2.813 2.785 2.782 2.775 2.751 2.682 2.674 2.669 2.667 2.639 2.637 2.626 2.557 2.556 2.521 2.517 2.496 2.496 2.464 2.454 2.421 2.406
2 2 2 4 4 4 4 4 2 4 4 2 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 2 4 2 4 2 4 4 4 4 4 4 4 4 2 4 4 4
2.0 6.6 0.2 0.5 1.1 0.9 0.6 1.4 1.7 0.9 1.1 0.3 0.3 1.2 0.1 0.9 0.2 0.5 1.1 0.2 0.7 0.3 0.7 0.2 0.4 0.4 0.4 0.4 1.0 0.3 0.8 0.1 0.3 0.3 0.3 0.1 0.6 0.8 0.7 0.1 0.5 0.3 0.4 1.3 0.3
2
4 4 4 2 2 4 4 4 2 4 2 4 4 4 4 4
1996
(1994). h
k
-5 9 5 -1 -4 1 -3 -1 9 2 -6 7 1 0 6 -3 10 -8 4 8 4 7 11 9 -2 3 5 7 10 7 -1 -5 -3 7 10 -9 11 1 -7 -8 -10 10 11 9 -4
1 1 1 5 4 1 1 3 1 4 4 3 5 6 2 5 2 0 0 2 6 5 1 1 4 1 1 3 2 5 3 5 1 1 0 1 1 7 5 0 2 2 3 3 6
1 3 3 5 2 2 5 4 4 0 4 1 4 3 0 5 2 2 2 6 5 0 2 2 5 4 6 6 5 0 0 5 2 5 6 5 2 0 0 1 3 1 5 2 5 2
28
d
M
Ire1
37.48 37.65 37.70 38.01 38.11 38.28 38.35 38.71 38.99 39.84 39.89 40.12 40.47 40.54 40.59 41.19 42.17 42.49 43.94 43.96 44.17 44.27 44.59 44.60 44.63 44.68 44.72 44.85 45.04 45.37 45.85 45.91 46.10 46.48 46.72 47.29 47.89 47.89 48.01 48.35 48.51 48.78 48.79 48.80 49.20
2.400 2.389 2.386 2.367 2.361 2.351 2.347 2.326 2.310 2.263 2.260 2.248 2.229 2.225 2.223 2.191 2.143 2.127 2.061 2.060 2.050 2.046 2.032 2.032 2.030 2.028 2.026 2.021 2.013 1.999 1.979 1.977 1.969 1.954 1.944 1.922 1.899 1.899 1.895 1.883 1.877 1.867 1.866 1.866 1.852
4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 2 4 4 4 4 4
0.2 0.4 0.2 0.2 0.3 0.1 0.2 0.1 0.2 0.2 0.2 0.1 0.2 0.7 0.2 0.1 0.1 0.3 1.3 0.1 0.6 0.2 0.1 0.2 0.1 0.1 0.2 0.1 0.2 0.3 0.1 0.1 0.3 0.1 0.2 0.4 0.2 0.4 0.1 0.1 0.2 0.2 0.2 0.2 0.1
CON
CIT-1
Zeolites
16:323-602,
1996
417
DAC
Dachiardite
COMPOSITION:
(Nao.42Ko.92Cso.llCal.54Sro.lzBao.ol) Elba, Italy.
CRYSTAL
Cl 2/m 1 (No. a = 18.676 A a = 90”
DATA:
REFERENCE:
hkl 0 2 1 -1 1 -2
0 -3 3 -4 4 -1 -4 -3 3 2 1 0 4 0 2 -2 -2 -5 0 5 -4 -5 -1 -3 3 -2 0 -6 6 -4 4 4
0
1
0 0 1 1 1
0 1 1 2 2
20
d
M
9.07
9.752 8.887 6.924 5.994 5.352
2 2 4 4 4 2 2 4 4 2 2 4 2 4 4 2 4 2 2 4 4 2 4
9.95 12.78 14.78 16.56 17.86 18.19
0 4.965 0 4.876 1 1 19.05 4.659 1 0 0 1
0 1 1
0 1 2 0 2 2
0 2 1 0 1
0 1 1 1
1 2 2
0 1 0 2 2 2 1 2 2
0 1 1
0 3 1 1 3 0 3 2 3 3 2 2 2 2
0 0 0 2 1 0 2 2
418
0
G. Vezzalini, Z. Kristallogr.
19.07 19.24 19.98 20.99 22.56 23.02 23.08 23.35 23.54 23.67 24.43 25.39 25.73 26.14 26.27 26.69 27.44 27.76 28.62 28.72
28.91 29.48
29.56 29.81 30.02 30.11 30.17 30.68 31.11 31.16
Zeolites
4.654 4.613 4.444 4.232
3.941 3.863 3.854 3.810 3.780
3.759 3.644 3.507 3.462
3.409 3.393 3.340 3.251 3.214 3.119 3.109 3.088 3.029 3.022 2.997
16:323-602,
3.8
69.6 50.3
25.9 9.0 29.9 45.5 2.0 2.3 5.1 2.6 3.4 32.1 8.7 1.7 38.7 12.6 7.8 8.6
9.0 100.0 22.2
9.2 16.1 3.8 53.5 4.6 1.5 6.7 4.5 2.5 1.3
2.977 2.968 2.963 2.914 2.874 2.870
I El
1.8
4
24.3 1.5 0.2 10.7 20.4
1996
(Sil8.96A14.8sFeo.oz048).12.56H20
12) unique axis b, cell choice I b = 7.518 A c = 10.246 ii /l? = 107.87” y = 90”
166, 63-71 (1984).
hkl
I El
hkl
5
0.3 1.3 0.2 11.6 13.4
5
26 d M 1 1 31.64 2.828 4 1 1 3 31.78 2.816 4 2 0 3 32.09 2.789 2 -4 2 2 32.93 2.720 4 2 2 2 33.49 2.676 4 -6 0 3 34.12 2.628 2 4 -2 -2 -7 -4 1 -7
0 0 -1 -3 3 -4 5 -1 1 -6 6 4 -7 -5 -6
2
0 2 1
0 3
1 2
0 3 1 1 2 1 1 3 2 2
1 4 3 1 4 0 2 3 4 1 4 3 3 2 4 1 2
0
0 3 1 3 1 4 0 4 1 1 4
7 -3 3 2 1 -8 6 -2 -4
1 3 3
0 3
0 2 2 2
1 2 1 4 2 3 1 4 4
34.27 35.05 35.55 35.75 36.18 36.20 36.53 36.54 36.87 37.00 37.28 37.37 37.47 37.55 37.62 37.79 38.65 38.70
2.616 2.560 2.525 2.512 2.483 2.482 2.460
2.459 2.438 2.430 2.412 2.406 2.400 2.395 2.391 2.381
2.329 2.327 2.308 2.276
39.03 39.60 39.73 2.269 40.04 40.68 41.18 41.22 41.26 41.30 41.53 41.60 42.04 42.73
43.69
2.252 2.218 2.192 2.190 2.188 2.186 2.174 2.171 2.149 2.116 2.072
4 2 4 4 2 4 4 4 2 4 4 4 4 4 4 4 4 4 2 4 4 2 4 4 4 4 2 4 2 4 4 4
1.8 1.0 11.0 4.9 1.4 2.7 1.2 0.6 6.8 0.6 1.3 1.4 0.8 4.8 3.8 1.2 0.5 0.2 0.7 4.7 3.8 0.3 0.6 0.7 0.7
0.8 0.3 1.7
1.1 0.3 0.5 0.2 1.4
0
3 2
0
-2 8 -7 -4 5 -5 -1 -3 3
1 3 3 3 3
-9
1
-9 -3 3 -8 -8 7 -1 5 1 -6 6 -6 -5 -9 8 9 4 -5 2
1 1 1 0 2 1 1 3 3 2 2
0 -10 -10 0 2 -2 -7
0 1
0
0 4 5 1 4 5 3 2 3 3 2 2 1 5 4 4 2 2 5 1 3
4 2
0 5 1 5 1 2 1
0 3 2 4 0 0 4 4 4 3
3
0 0 4 3 4
0 2 1
28
d
M
44.22 44.28
2.048 2.045 2.041 2.035 2.033 2.030 2.022 2.020 2.015
4 4 2 2 4 2 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 2 4 4 4 4 2 4 4
44.39 44.51 44.56 44.64 44.82 44.86 45.00
45.39 45.44 45.57 45.60 45.91 46.00 46.06 46.17 46.71 46.86 46.91 47.01 47.04 47.16 47.29 47.34 47.52 47.54 47.60 47.74 48.14 48.15 48.43 48.85 49.20
1 49.38 0 1 1
49.57 49.88 49.96
1.998 1.996 1.991 1.989 1.977 1.973 1.971 1.966 1.945 1.939 1.937
1.933 1.932 1.927 1.922 1.920 1.914 1.913
1.910 1.905 1.890 1.890 1.879 1.864 1.852 1.846 1.839 1.828 1.826
2 2 2 4 4 4 4
I El 0.8 1.2 4.6 0.2 0.2 0.1 0.8 3.8 0.4 0.4 3.4
1.0 1.3 0.2 1.5 1.6 2.6 1.5
0.8 1.1 0.3 1.9 1.9 0.5
0.1 0.7 0.4
1.1 1.5 0.2 2.5 11.9 1.0 1.8 0.4 0.4 0.2 2.8
DAC
Dachiardite -0
m
-s
-z
m b s
cv
-s
-0
r
-0
Zeolites
16:323-802,
1996
419
Na, 1-aminoadamantane
00 101 012 10 11 00 015 11 02 20 10 02 11 20 018 00 21 12 02 2 30 12 20 1 03 30 11 217 22 03 30 0 12 0 22 13 312 13 2 315 1 1 2 30 40
420
1 3
4 0 6 3 1 2 7 4 6 5 9 1 2 7 14
0
0 2
0 1 0 1
0 5 8 10 3 3 9 0 6 6 12 8 10 3 1 4 11 12 13 10 9 1
Zeolites
3R
COMPOSITION:
(Si1200240).9N2.6C10H17N
CRYSTAL
RSm (No. 166) hexagonal setting a = 13.860 A h = 13.860 A c = 40.891 A p = 90” y = 120° cy = 90”
DATA:
REFERENCE:
hk
Deca-Dodecasil
d
26 6.48 7.68 8.54 11.37 12.77 12.99 13.10 14.34 14.92 15.39 16.88 17.13 18.26 18.34 18.87 19.54 19.69 20.05 21.22 21.43 22.22 22.41 22.85 22.98 23.17 23.17 23.41 24.85 25.71 25.82 25.82 26.15 26.26 26.37 26.54 26.87 27.14 28.19 28.24 28.96 29.20 29.35 29.41 29.75 29.85
13.630 11.517 10.351 7.783 6.930 6.815 6.759 6.177 5.938 5.759 5.253 5.176 4.859 4.839 4.703 4.543 4.509 4.429 4.186 4.147 4.001 3.967 3.891 3.871 3.839 3.839 3.800 3.583 3.465 3.450 3.450 3.408 3.393 3.379 3.358 3.318 3.286 3.165 3.160 3.083 3.058 3.043 3.037 3.003 2.993
16:323-802,
H. Gies, Z Kristallogr.
Al
I i-d
hk
2 6 6 6 6 2 6 12 6 6 6 6 12 6 6 2 12 12 6 12 6 12 6 6 6 6 12 12 6 6 6 2 12 6 12 12 12 12 6 12 12 6 12 6 6
23.5 40.6 12.9 21.1 18.2 18.0 0.6 17.5 1.1 58.6 7.5 100.0 26.1 19.9 48.7 5.0 46.6 3.1 5.1 27.4 10.0 9.4 2.0 7.5 9.4 9.9 14.6 9.8 12.5 10.6 2.7 17.4 43.4 8.9 53.9 42.1 2.4 1.4 13.8 8.7 18.9 0.9 11.7 11.3 8.4
0 1 4 1 0 0 2 3 4 3 2 2 0 3 2 4 1 3 1 4 2 2 4 0 5 0 0 3 5 1 3 3 0 4 2 4 0 3 2 0 2 2 5 4 1
1996
175, 93-104 (1986).
120 4 3 0 2 1 4 2 2 0 2 0 3 3 0 1 1 0 2 4 1 2 3 0 5 0 2 4 3 0 3 2 3 0 1 4 2 3 0 0 5 4 3 0 0 1
2 7 4 11 14 5 9 1 7 4 14 5 12 12 13 3 16 7 6 6 12 8 10 1 2 16 11 0 5 13 10 3 18 9 1 2 15 15 17 7 4 11 8 13 18
d 30.10 30.92 31.06 31.10 31.52 31.76 32.50 32.59 33.57 33.71 34.14 34.36 34.57 34.57 34.70 34.88 35.93 36.06 36.76 36.76 37.00 37.08 37.16 37.53 37.73 38.28 38.56 38.99 39.11 39.41 39.45 39.57 39.67 39.72 39.80 39.99 40.02 40.02 40.40 40.63 40.74 40.78 41.56 41.59 41.85
2.969 2.892 2.879 2.875 2.838 2.817 2.755 2.747 2.669 2.659 2.626 2.610 2.594 2.594 2.585 2.572 2.500 2.491 2.445 2.445 2.430 2.424 2.419 2.397 2.384 2.351 2.335 2.310 2.303 2.286 2.284 2.277 2.272 2.269 2.265 2.255 2.253 2.253 2.233 2.220 2.214 2.213 2.173 2.171 2.159
Iv
Ire1
hk
6 12 6 12 6 6 12 12 6 12 6 12 6 6 12 12 6 12 12 12 12 12 6 6 6 6 6 6 6 12 12 12 2 12 12 12 6 6 6 6 12 12 6 6 12
2.0 2.1 3.2 0.9 2.4 0.7 0.3 1.9 4.5 0.3 1.0 0.2 0.4 0.5 2.5 0.6 2.0 2.6 6.7 0.2 1.4 9.2 0.3 4.4 0.5 3.4 4.4 3.9 9.8 0.1 1.6 2.1 0.5 1.9 0.3 0.7 2.2 3.0 2.8 1.7 0.3 3.2 0.4 0.1 2.4
51 15 1 1 24 514 0 1 4 3 0 33 51 0 15 2 06 60 0 3 43 3 0 4 43 4 52 06 60 34 3 25 52 1 4 0 1 1 25 52 34 2 06 60 16
2 0
4 4 1 2 5
1 4
3 0 1 0 0 2
3
4 1 4 5 2
4
1
28
d
1 2 17 19 7
41.97 42.15 42.54 42.68 42.76 42.87 43.22 43.58 43.58 43.69 43.72 43.97 44.81 44.97 45.67 45.74 45.84 45.84 45.94 45.94 46.05 46.58 46.64 46.68 46.89 46.92 47.29 47.36 47.36 47.39 47.55 47.79 47.79 48.18 48.18 48.50 48.83 48.86 49.26 49.26 49.51 49.54 49.80 49.80 49.87
2.153 2.144 2.125 2.118 2.114 2.109 2.093 2.077 2.077 2.072 2.070 2.059 2.023 2.016 1.986 1.984 1.979 1.979 1.976 1.976 1.971 1.950 1.947 1.946 1.938 1.936 1.922 1.919 1.919 1.918 1.912 1.903 1.903 1.889 1.889 1.877 1.865 1.864 1.850 1.850 1.841 1.840 1.831 1.831 1.829
13 12 12 13 10 9 7 20 8 10 3 3 18 18 1 17 21 16 4 11 0 6 6 5 12 3 3 15 15 17 11 20 6 6 8 13 9 9 1
iv
Ire1
12 12 12 6 12 12 6 12 12 12 6 12 12 6 12 12 6 6 6 6 12 12 2 6 12 12 12 6 6 12 12 12 12 12 12 6 12 12 12 12 12 12 6 6 12
0.8 0.2 0.4 0.1 1.5 0.2 0.2 0.8 0.8 0.3 0.1 0.6 0.8 0.5 0.4 1.5 1.4 0.7 2.6 3.0 3.3 1.5 2.1 1.5 1.0 3.1 0.5 0.6 2.7 0.1 0.6 0.3 0.1 0.3 0.1 0.6 0.3 1.1 1.2 0.2 1.0 4.0 2.0 0.1 2.0
Ng, 1-aminoadamantane
Deca-Dodecasil
3R
Zeolites
16:323-802,
1996
421
Decamethonium
COMPOSITION:
(Mg29A1103P1320264).15.8C16H38N2.s0.5Hz0
CRYSTAL
PG/mmm (No. 191) a = 22.351 A b = 22.351 A
DATA:
cy = 90” REFERENCE:
k 1 0 0 1 1 0 0 1 0 1
/3 = 90”
20
d
M
I rel
h
k
1 0 1 2 1 2 1 2 2 1 3 3 2 2 2 3 0 2 3 1 3 2 1 4 2 4 3 2 2 3 0 1 4 4 1 4 2 4 2 5 3 3
4.07 4.57 6.12 7.91 8.15 8.90 9.14 9.35 10.01 11.37 12.10 12.26 13.07 13.72 14.32 14.60 15.30 15.86 15.98 16.34 16.38 16.51 16.98 17.01 17.24 18.18 18.33 18.76 18.79 19.99 20.08 20.38 20.41 20.47 20.98 21.03 21.43 21.98 22.10 22.46 22.59 22.85 22.97 23.31 23.51
21.693 19.356 14.443 11.175 10.846 9.935 9.678 9.462 8.838 7.783 7.316 7.221 6.774 6.452 6.184 6.065 5.793 5.588 5.545 5.423 5.411 5.368 5.222 5.211 5.143 4.879 4.839 4.731 4.723 4.441 4.422 4.357 4.350 4.339 4.234 4.224 4.146 4.045 4.022 3.959 3.936 3.892 3.871 3.815 3.784
2 6 12 6 2 12 6 12 12 12 12 12 12 6 12 24 12 6 12 2 12 12 12 24 24 12 6 12 12 12 12 24 24 2 12 12 24 12 12 12 24 12 6 24 24
6.3 39.6 18.5 100.0 39.2 4.2 0.2 0.2 20.1 1.9 4.5 2.6 2.2 0.7 1.6 0.4 5.0 0.8 0.3 0.9 4.0 0.6 2.8 0.8 0.3 0.2 1.5 0.5 0.2 0.1 0.2 8.1 1.2 0.6 0.4 12.3 1.8 0.1 1.8 6.3 2.0 0.3 3.4 2.1 0.1
2 3 3 4 4 5 4 4 3 3 5 2 2 3 5 4 2 6 6 5 4 r
1 3 3 2 1 0 0 2 3 2 1 2 0 1 1 2 1 0 0 0 3 1 2 2 0 0 3 2 2 1 1 2 1 0 0 1 1 3 1 2 2 2 4 0 0
422
0 2 1 0 2 1 2 0 2 3 0 1 2 3 0 2 4 1 0 4 1 3 4 0 4 1 0 3 4 1 5 5 0 1 5 3 5 2 4 0 4 3
Zeolites
16:323-802,
c = 21.693 A 3’ = 120”
P. A. Wright, R. H. Jones, S. Natarajan, R. G. Bell, J. Chen, M. B. Hursthouse and J. M. Thomas. J. Chem. Sot. Chem. Comm. (1993).
h
1 0 1 0 0 0 1 1 0 0 0 0 1 0 2 0 0 2 1 0 1 1 1 0 0 0 2 2 1 2 0 0 1 1 1 0 0 1 2 0 1 2
DAF-1
1996
; 5 0 6 3 5 4 3 1 5 6 2 6 5 6 4 2 5 3 4 4 3 7
1 5 0 1 0 3 2 4 1 2 4 1 5 6 5 2 3 6 0 1 4 1 3 5 0 7 2 4 1 4 6 7 2 0 7 3 4 1 3 7 3 6 5 0 7 1
26
d
23.84 23.89 24.24 24.33 24.40 24.41 24.66 24.68 25.28 25.93 25.96 26.00 26.31 26.41 26.93 27.32 27.52 27.65 27.96 28.32 28.35 28.49 28.77 28.80 28.81 28.87 29.08 29.10 29.45 29.79 29.92 29.98 30.28 30.28 30.34 30.54 30.56 30.70 31.35 31.40 31.92 32.00 32.03 32.04 32.64
3.732 3.725 3.671 3.658 3.647 3.646 3.611 3.607 3.523 3.436 3.433 3.427 3.387 3.374 3.311 3.264 3.241 3.226 3.191 3.151 3.149 3.133 3.103 3.099 3.099 3.092 3.071 3.068 3.033 2.999 2.986 2.980 2.952 2.951 2.946 2.927 2.925 2.913 2.854 2.849 2.804 2.797 2.794 2.794 2.743
AJ Irei
hk
24 6 12 12 24 12 12 24 12 24 24 12 12 24 24 2-I 24 6 12 12 24 24 24 12 2 12 12 24 24 24 12 24 12 12 12 24 24 24 24 24 24 24 6 12 12
6 44 52 10 62 317 5 62 20 62 61 60 53 70 42 43 710 71 21 32 417 712 70 61 63 63 80 713 62 80 43 72 70 32 63 55 50 53 70 33 73 64 1 90 5
5.6 3.5 0.2 0.2 0.1 0.2 1.6 1.2 0.1 1.9 0.3 0.2 0.5 0.4 0.5 1.1 1.3 4.0 0.2 0.3 0.5 1.4 0.9 1.3 1.2 0.2 0.1 1.1 1.7 0.2 0.3 0.3 0.9 0.7 0.3 0.7 0.4 1.4 0.4 0.1 0.4 3.6 1.2 0.2 0.2
1 1
3 2 4 8 0
3
2 1 8 2 4 5 3 3 6 5 1 8 7
4 5 0 1 0
0 1
4 1 6 0 5 8 3 0 8 6 6 8 0 2 10 0 8
20
d
M
Irel
32.77 33.11 33.29 33.37 33.38 33.38 33.44 33.64 34.34 34.42 34.60 34.65 34.73 34.73 34.89 34.97 35.00 35.25 35.30 35.32 35.94 35.99 36.47 36.83 36.86 37.10 37.16 37.21 37.38 37.40 37.66 38.05 38.61 38.91 38.98 40.35 40.62 41.09 41.09 41.17 41.46 41.51 41.90 42.01 42.27
2.733 2.706 2.691 2.685 2.684 2.684 2.680 2.664 2.611 2.606 2.593 2.589 2.583 2.583 2.571 2.566 2.564 2.546 2.543 2.541 2.499 2.495 2.464 2.441 2.439 2.423 2.420 2.416 2.406 2.405 2.389 2.365 2.332 2.314 2.311 2.235 2.221 2.196 2.196 2.192 2.178 2.175 2.156 2.151 2.138
24 12 24 12 12 24 24 24 12 24 24 12 24 12 24 24 12 24 24 24 24 24 12 24 12 24 6 24 24 12 24 12 12 24 24 6 12 24 12 12 12 24 12 6 24
0.4 0.3 0.2 0.5 0.2 0.1 0.2 0.2 0.6 0.2 0.3 0.1 0.8 1.0 0.5 0.5 0.2 0.2 0.1 0.2 0.3 0.1 0.6 0.8 0.5 0.1 0.2 0.3 1.1 0.2 0.1 0.4 0.2 0.3 0.2 0.4 0.1 0.1 0.2 0.3 0.2 0.1 0.1 0.5 0.3
Decamethonium
DAF-1
-5:
-s
:
-3 -0m
-z
-0F
-0
Zeolites
16:323-802,
1996
423
DOH
Nz, Piperidine
COMPOSITION:
(Si34068).3Nz.2Nz.C5HloNH
CRYSTAL
PG/mmm (No. a = 13.783 A cu = 90”
DATA:
REFERENCE:
h k 1 1 0 0 0 1 1 2 1 0 2 1 2 1 2 2 3 3 0 1 2 2 3 2 1 3 3 2 4
424
0 0 1 0 1 0 0 0 1 1 1 0 0 0 0 0 1 2 1 2 1 0 1 0 0
Zeolites
1 1 0 0 1 2 1 2 0 2 1 2 0 1 3 3 2 0 0 1 3 2 1 3 0
Dodecasil
28 7.41 7.90 10.84 12.85 14.84 15.10 15.84 16.84 17.51 19.68 20.45 21.23 21.77 22.34 23.73 23.86 25.01 25.36 25.86 26.93 27.08 27.18 27.51 28.11 28.21 29.94
16:323-602,
d 11.936 11.190 8.164 6.891 5.968 5.868 5.595 5.266 5.066 4.511 4.344 4.184 4.082 3.979 3.749 3.730 3.560 3.512 3.446 3.311 3.293 3.280 3.243 3.175 3.163 2.984
1996
1H
191) b = 13.783 A p = 90”
c = 11.190 A
y = 120”
H. Gerke and H. Gies, Z. Kristallogr. 166, 11-22 (1984).
AI
Ire1
6 2 12 6 6 12 2 12 12 12 12 24 12 6 12 2 12 24 6 12 12 12 12 24 12 6
35.6 6.7 13.5 15.3 13.9 35.5 15.7 100.0 33.6 16.3 0.4 10.9 3.1 8.1 33.2 6.4 5.8 48.4 18.7 24.6 15.9 20.4 0.3 1.2 15.3 1.7
hkl 2 2 3 3 1 3 3 4 1 4 2 2 3 5 2 5 4 3 3 4 3 0 4 3 5 2
2 1 1 2 0 0 2 0 1 1 0 2 2 0 1 0 0 3 0 2 3 0 2 2 0 2
2 3 2 0 4 3 1 2 4 1 4 3 2 0 4 1 3 0 4 0 1 5 1 3 2 4
26’
d
30.47 31.11 31.40 32.70 32.88 32.91 33.69 34.05 34.60 35.38 35.44 35.47 36.53 37.68 37.84 38.56 38.64 39.22 39.37 39.97 40.07 40.30 40.81 40.88 41.11 41.58
2.934 2.875 2.849 2.738 2.724 2.721 2.660 2.633 2.592 2.537 2.533 2.531 2.460 2.387 2.378 2.335 2.330 2.297 2.288 2.256 2.250 2.238 2.211 2.207 2.196 2.172
kf
Ire1
12 24 24 12 12 12 24 12 12 23 12 12 24 6 24 12 12 6 12 12 12 2 24 24 12 12
0.1 2.7 4.9 1.3 2.2 0.8 0.1 1.3 0.1 2.6 4.6 1.0 9.0 6.5 1.7 2.5 1.7 4.5 7.8 0.7 0.3 0.4 0.9 4.4 1.1 1.0
hkl 5 3 4 1 2 4 4 5 2 5 6 4 6 3 3 3 4 4 5 4 5 6 0 3 4
1 1 1 1 0 2 0 0 1 1 0 3 0 2 3 0 3 2 2 1 2 0 0 1 3
0 4 3 5 5 2 4 3 5 2 0 0 1 4 3 5 1 3 0 4 1 2 6 5 2
20
d
42.15 42.30 42.32 42.47 43.17 43.24 44.39 45.09 45.23 45.30 45.60 46.26 46.35 46.40 46.42 46.56 47.01 47.08 47.57 47.71 48.31 48.57 48.83 49.14 49.20
2.144 2.137 2.136 2.129 2.096 2.092 2.041 2.011 2.005 2.002 1.989 1.962 1.959 1.957 1.956 1.951 1.933 1.930 1.911 1.906 1.884 1.874 1.865 1.854 1.852
A.4 IreI 12 24 24 12 12 24 12 12 24 24 6 12 12 24 12 12 24 24 12 24 24 12 2 24 24
0.1 0.1 0.1 0.8 0.1 0.3 0.5 0.1 0.1 0.2 0.3 1.0 0.6 0.5 0.8 1.3 0.2 3.9 0.1 0.2 0.3 2.9 1.3 0.6 0.5
N2, Piperidine
Dodecasil IH
J
Zeolites
16:323-802,
1996
425
EAB
Bell bergite
COMPOSITION:
CRYSTAL
DATA:
PCis,‘mmc (No. 194) a = 13.244 A b = 13.244 h cl = 90” p = 90”
REFERENCE:
h
k
1
26’
1 1 0 1 1 2 2 1 1 2 2 2 0 3 2
0 0 0 1 0 0 0 1 0 0 1 1 0 0
0 1 2 0 2 0 1 2 3 2 0
7.71 9.49 11.07
4 0
12
10
3
1
4
0
2
114
2 2 2 3 3 1 2 3 2 4 4 2
426
1 3 2 0 0 4 11
0 0 2 1
3 5 2 2
14
0
0
0
1
0
5
Zeolites
13.37 13.50 15.45 16.42 17.39 18.36 19.05
20.49 21.23 22.24 23.27 23.34 23.57 25.83 26.04 26.50 26.93 27.19 28.61 28.74 28.99 29.19 30.24 30.42 31.19 31.70 32.05
16:323-802,
d 11.470 9.320
I rel
hkl
6 12
16.4 42.6 5.0 0.6 100.0 2.5 13.6 1.0 10.5 8.0 0.3 38.6 8.0 78.2 23.8 59.8 5.1 0.4 0.5 1.1 1.0 17.4 1.0 4.5 0.4 13.4 21.1 0.6 35.0 6.5
3 3 4 0 3 3 1 2 2 4 4 3 4 1 3 2 4 3 4 2 3
2 6 12 6 12
5.100
12
4.833 4.660 4.335 4.184 3.997 3.823 3.811 3.774 3.449 3.422 3.363 3.311 3.279 3.120 3.107 3.080 3.059 2.956 2.939 2.867 2.822 2.793
12 12 12 24 2 6 24 12 12 12 24 6 12 24 12 12 12 24 24 6 12 12
1996
B. Riidinger, E. Tillmanns and G. Hentschel, Mineralogy and Petrology 48, 147-152 (1993).
M
7.994 6.622 6.558 5.735 5.398
c = 15.988 h y = 120”
28 0 1 0 0 2 2 0 1 2 0 1 1 1 1 0 0 1 2 0 1 1
4 32.40 3 32.79 2 33.19 6 33.63 0 34.07 1 34.54 6 34.56 5 34.86 4 35.20 3 35.55 0 35.88 4 36.08 1 36.33 6 36.34 5 36.64 6 37.21 2 37.66 3 38.14 4 38.64 6 39.70 5 39.98
d
df
2.763 2.732 2.699 2.665 2.631 2.596 2.596 2.573 2.550 2.525 2.503 2.489 2.473 2.472 2.453 2.416 2.389 2.359 2.330 2.270 2.255
12 24 12 2 12 24 12 24 12 12 12 24 24 12 12 12 24 24 12 24 24
1
0
7
40.26
2.240
12
3 5 3 3 4 4 4 3
3 0 2 0 2 2 0 3
0 2 4 6 0 1 5 2
40.88 40.93 41.07 41.30 41.67 42.07 42.34 42.48
2.207 2.205
6 12
2.198
24
2.186 2.168 2.148 2.135 2.128
12 12 24 12 12
Ire, 3.0 0.3 20.1 6.3 0.6 1.4 3.8 27.6 2.8 0.2 19.1 17.7 3.8 0.6 5.9 1.2 1.3 2.7 2.4 7.0 0.9 0.4 34.8 0.3 4.6 10.2 0.6 1.1 1.3 1.1
hkl 2 4 5 5 5 3 3 2 4 0 5 5 1 3 4 3 1 6 4 6 4 3 6 5 4 5 5 4
0
7
20 42.61
1
4
42.62
0 1 1 1 2 1 2 0 1 0 0 0 0 3 1 0 2 0 3 2 0 2 3 1 2 1
3 42.92 0 43.95 1 44.33 6 44.34 5 44.59 7 44.85 3 45.16 8 45.38 2 45.47 4 45.59 8 46.10 7 46.30 6 46.52 4 47.03 8 47.52 0 47.57 4 47.73 1 47.93 1 48.62 6 48.63 2 48.99 0 49.64 2 49.68 4 49.80 1 49.99 6 49.99
d 2.122
h!f 12
IreI 0.1
2.121
24
4.1
2.107 2.060 2.043 2.043 2.032 2.021 2.008 1.998 1.995 1.990 1.969 1.961 1.952 1.932 1.913 1.912 1.905 1.898 1.873 1.872 1.859 1.837 1.835 1.831 1.825 1.824
12 12 24 24 24 24 24 2 24 12 12 12 12 12 12 6 24 12 24 24 12 12 24 24 24 24
0.3 0.7 0.3 0.4 3.3 0.5 0.5 7.4 1.5 4.6 1.1 0.5 3.2 2.1 0.2 0.2 1.7 0.2 1.5 2.6 0.5 0.4 5.7 0.2 0.6 13.2
EAB
Bell bergite
I”“““‘I”“““‘I”“““‘I”“““‘l”“““~I””””~I””””’l’~’~‘~~“l’~~~“”’l’~~~‘~~‘~ 0 Q) $
s: r
E
%
E
s
3
z
0 r
Zeolites
0
16:323-802,
1996
427
EAB
(Na, tetramethylammonium)-E
COMPOSITION:
Nas.l(Sizs.+419.4072).2.2(CH3)4N.25H20
CRYSTAL
Pfiy/mmc (No. a = 13.28 w Q = 90”
DATA:
REFERENCE:
hkl 1 1 0 1 1 2 2 1 1 2 2 2 3 2 0 2 3 1 3 2 2 1 3 2 3 3 2 1 4
428
29 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 2 1 1 1 0 1 0 2 0 0
Zeolites
0 1 2 0 2 0 1 2 3 2 0 1 0 3 4 2 1 4 2 0 3 4 0 4 1 3 2 5 0
7.69 9.64 11.64 13.33 13.96 15.41 16.48 17.73 19.13 19.35 20.43 21.26 23.20 23.39 23.39 23.57 23.94 24.66 26.03 26.85 27.02 27.02 27.97 28.13 28.59 29.20 29.35 30.39 31.10
16:323-602,
d 11.501 9.174 7.605 6.640 6.344 5.750 5.379 5.002 4.639 4.587 4.347 4.180 3.834 3.803 3.803 3.774 3.717 3.610 3.423 3.320 3.300 3.300 3.190 3.172 3.122 3.058 3.043 2.941 2.875
1996
194) b = 13.28 A p = 90”
c = 15.21 A y = 120”
W. M. Meier and M. Groner, J. Solid State Chem. 37, 204-218 (1981).
M
I rel
6 12 2 6 12 6 12 12 12 12 12 24 6 12 2 24 12 12 12 6 24 12 12 12 24 12 12 12 6
2.5 64.2 13.0 46.9 15.4 0.7 12.9 0.6 1.9 41.0 4.8 57.3 28.4 6.4 5.6 100.0 2.7 61.3 1.2 5.4 15.5 3.5 1.7 6.5 1.7 2.7 3.6 10.2 4.7
hkl 2 4 3 3 4 2 3 3 4 4 2 3 2 1 3 4 1 3 5 4 5 4 3 5 3 2 4 4 1
1 0 1 0 0 0 2 2 1 0 2 2 1 0 1 1 1 2 0 0 0 1 3 0 1 1 2 2 0
4 1 3 4 2 5 0 1 0 3 4 2 5 6 4 2 6 3 0 4 1 3 0 2 5 6 0 1 7
28
d
M
Ire1
hkl
31.25 31.67 33.18 33.18 33.31 33.32 33.98 34.50 35.78 35.91 35.91 36.03 36.04 36.29 36.78 37.75 37.99 38.46 39.16 39.28 39.63 40.09 40.77 40.99 41.00 41.22 41.55 41.99 42.33
2.862 2.825 2.700 2.700 2.689 2.689 2.639 2.600 2.510 2.501 2.501 2.493 2.492 2.476 2.444 2.383 2.368 2.340 2.300 2.293 2.274 2.249 2.213 2.202 2.201 2.190 2.173 2.152 2.135
24 12 24 12 12 12 12 24 12 12 12 24 24 12 24 24 12 24 6 12 12 24 6 12 24 24 12 24 12
35.8 56.3 0.1 1.6 21.8 0.9 0.9 8.4 12.2 2.6 3.5 3.2 3.3 4.8 1.7 0.7 0.6 2.0 1.0 0.2 0.1 3.5 9.4 0.5 5.7 0.5 0.3 1.9 0.1
3 3 5 4 4 4 5 5 2 2 4 kt 2 4 5 3 6 0 4 3 4 5 4 5 5 3 1
3 0 0 1 2 0 1 1 0 2 2 1 0 1 1 1 3 0 0 3 0 3 2 3 0 2 2 1
2 6 3 4 2 5 0 1 7 6 3 2 4 7 5 3 4 1 8 0 7 1 0 2 5 1 6 8
20
d
M
Ire1
42.54 42.76 43.19 43.19 43.29 43.30 43.83 44.25 44.58 44.99 45.40 45.50 46.12 46.74 46.93 47.53 47.53 47.83 47.84 48.12 48.13 48.52 49.49 49.69 49.69 49.88 49.89 49.89
2.125 2.114 2.095 2.095 2.090 2.090 2.066 2.047 2.033 2.015 1.998 1.993 1.968 1.944 1.936 1.913 1.913 1.902 1.901 1.891 1.890 1.876 1.842 1.835 1.835 1.828 1.828 1.828
12 12 12 24 24 12 12 24 12 12 24 24 12 24 24 24 12 12 2 12 12 24 12 24 12 24 24 12
5.3 1.9 0.2 0.3 1.0 3.2 0.1 1.1 0.2 0.9 0.7 4.3 3.8 0.6 0.6 0.3 2.4 0.3 9.1 0.3 0.1 0.5 4.6 1.0 2.1 1.1 4.2 1.8
(Na,
tetramethylammonium)-E
Zeolites
16:323-802,
1996
429
EDI
Edingtonite
COMPOSITION:
CRYSTAL
Baz(Si6A14020).7H20 Bathurst, New Brunswick,
DATA:
P21212 (No. 18) a = 9.537 A b = 9.651 A Q = 90” d = 90”
REFERENCE
hkl 1 0 0 1 0 2 1 1 2 0 2 1 2 2 0 0 1 1 3 2 1 0 3 1 3
430
1 0 1 0 2 0 1 2 1 2 0 2 1 2 0 1 0 3 1 2 1 3 0 3 1
Zeolites
0 1 1 1 0 0 1 0 0 1 1 1 1 0 2 2 2 0 0 1 2 1 1 1 1
d
M
I rel
13.05 13.60 16.43 16.49 18.39 18.61 18.89 20.63 20.78 22.94 23.12 24.79 24.92 26.27 27.40 28.95 28.99 29.30 29.58 29.70 30.46 31.01 31.31 32.43 32.69
6.784 6.509 5.396 5.376 4.825 4.768 4.697 4.306 4.275 3.876 3.847 3.591 3.573 3.392 3.255 3.084 3.080 3.048 3.019 3.008 2.934 2.884 2.857 2.761 2.739
4 2 4 4 2 2 8 4 4 4 4 8 8 4 2 4 4 4 4 8 8 4 4 8 8
1.4 90.4 34.9 46.3 53.7 43.7 86.1 9.0 4.0 5.6 1.6 100.0 86.7 20.6 11.1 15.0 13.3 29.3 30.2 20.8 35.5 1.2 1.5 84.4 91.2
1996
c = 6.509 ii 3’ = 90”
A. Kvick and J. V. Smith, J. Chem. Phys. 79 (5), 2356-2362
28
16:323-602,
Canada.
hkl 0 2 2 3 1 2 2 3 0 4 2 0 3 0 3 4 1 3 1 4 0 2 4 3 0
26’ 2 0 3 2 2 1 3 2 4 0 2 3 0 4 3 0 3 1 4 1 0 4 2 3 1
2 2 0 0 2 2 1 1 0 0 2 2 2 1 0 1 2 2 1 1 3 0 0 1 3
33.20 33.33 33.60 33.76 34.55 34.64 36.41 36.55 37.27 37.73 38.33 39.38 39.63 39.85 39.87 40.28 40.55 40.76 41.00 41.40 41.62 41.96 42.28 42.31 42.71
(1983).
d
AId
1x1
2.698 2.688 2.667 2.655 2.596 2.589 2.468 2.458 2.413 2.384 2.348 2.288 2.274 2.262 2.261 2.239 2.225 2.214 2.201 2.181 2.170 2.153 2.138 2.136 2.117
4 4 4 4 8 8 8 8 2 2 8 4 4 4 4 4 8 8 8 8 2 4 4 8 4
0.4 0.6 5.2 5.9 41.2 49.6 6.0 7.8 1.5 1.4 2.9 35.2 29.6 3.1 34.2 2.5 1.7 1.9 20.9 18.0 4.7 12.6 13.8 12.3 3.0
hkl 1 1 2 3 2 4 0 2 1 2 4 3 4 1 1 4 5 3 0 3 4 5 2
28 0 1 3 2 4 2 2 0 2 1 0 4 3 4 5 1 1 3 5 4 3 0 2
3 3 2 2 1 1 3 3 3 3 2 0 0 2 0 2 0 2 1 1 1 1 3
42.74 43.81 43.89 44.02 44.32 44.62 45.86 45.95 46.89 46.96 47.26 47.30 47.46 47.89 48.09 48.25 48.66 49.06 49.24 49.45 49.61 49.82 49.89
d 2.116 2.067 2.063 2.057 2.044 2.031 1.979 1.975 1.938 1.935 1.923 1.922 1.915 1.899 1.892 1.886 1.871 1.857 1.851 1.843 1.838 1.830 1.828
M
I rel
4 8 8 8 8 8 4 4 8 8 4 4 4 8 4 8 4 8 4 8 8 4 8
2.8 16.3 8.0 7.6 6.9 6.9 3.7 5.3 8.4 8.4 0.2 1.4 2.1 7.4 2.0 8.5 1.9 2.0 5.7 10.4 11.3 5.8 18.1
EDI
Edingtonite
Zeolites
16:323-602,
1996
431
EDI
Na-exchanged
COMPOSITION:
Na:,(Si5A15Ozo)*9H:!O
CRYSTAL
P$21m (No. 113) a = 10.056 A b = 10.056 A cy = 90” B = 90”
DATA:
REFERENCE:
hkl 1 0 1 2 1 2 2 2 2 0 3 1 2 1 3
432
1 0 0 0 1 1 0 1 2 0 1 0 2 1 0
Zeolites
0 1 1 0 1 0 1 1 0 2 0 2 1 2 1
K-F
28
d
12.45 13.25 15.93 17.64 18.22 19.74 22.13 23.85 25.05 26.69 28.06 28.15 28.44 29.55 29.82
7.111 6.680 5.564 5.028 4.869 4.497 4.017 3.731 3.555 3.340 3.180 3.170 3.139 3.023 2.996
16:323-802,
Ch. Baerlocher Z. Kristallogr.
iv
4 2 8 4 8 8 8 16 4 2 8 8 8 8 8
1996
Ire1
86.9 25.8 9.0 1.1 13.6 0.5 3.5 5.4 15.5 4.1 9.1 11.6 100.0 29.9 1.6
hkl 3 3 2 2 3 4 4 2 3 3 3 4 4 3 0
1 2 0 1 2 0 1 2 0 0 1 1 2 3 0
1 0 2 2 1 0 0 2 2 1 2 1 0 1 3
c = 6.68 A y = 90”
and R. M. Barrer, 140, lo-26 (1974).
20
d
A4
Ire1
h
k
31.15 32.09 32.17 33.42 34.86 35.71 36.85 36.92 38.03 38.25 39.11 39.33 40.10 40.38 40.51
2.871 2.789 2.782 2.681 2.574 2.514 2.439 2.434 2.366 2.353 2.303 2.291 2.249 2.234 2.227
16 8 8 16 16 4 8 8 8 8 16 16 8 8 2
29.0 0.7 0.5 0.5 2.1 4.8 2.5 7.6 0.7 3.5 6.8 0.7 3.4 2.6 2.7
3 4 1 2 4 2 4 3 4 5 5 2 4 3
2 2 1 0 0 1 1 3 3 0 1 2 2 0
1 2 1 3 3 2 3 2 2 1 1 1 3 2 3
26’ 42.21 42.41 42.54 44.50 45.14 45.45 46.08 47.01 47.19 47.19 48.11 48.22 48.82 49.12
d
M
Ire1
2.141 2.131 2.125 2.036 2.009 1.996 1.970 1.933 1.926 1.926 1.891 1.887 1.865 1.855
16 16 8 8 8 16 16 8 16 8 16 8 16 8
3.1 1.7 2.9 0.2 4.9 0.8 0.3 0.4 0.2 0.4 0.8 9.0 2.5 0.3
Na-exchanged
EDI
K-F
1 0
Zeolites
16:323-802,
1996
433
EMT
Calcined
COMPOSITION:
Na~.~(Si7sAlao01g2).6HzO
CRYSTAL
P6s/mmc (No. 194) a = 17.3864 ii b = 17.3864 A cy = 90” p = 90”
DATA:
REFERENCE:
434
h
k
1
26
1
0
0
0 1 1 1 1 2 1 2 0 2 1 2 2 2 1 2 2 3 2 3 0 2 1 2 3 2 1 3 2 2 1 3 4 4
0 0 0 1 0 0 1 0 0 0 0 0 1 1 0 1 0 0 1 0 0 0 0 1 0 2 1 1 1 0 0 1 0 0
2 1 2 0 3 0 2 1 4 2 4 3 0 1 5 2 4 1 3 2 6 5 6 4 3 0 6 1 5 6 7 3 0 1
5.87 6.24 6.65 8.57 10.18 11.05 11.75 11.94 12.16 12.49 13.32 13.81 15.05 15.57 15.88 16.71 16.79 17.18 17.95 18.20 18.76 18.78 19.60 19.69 20.01 20.03 20.43 21.41 21.51 22.13 22.21 22.74 23.29 23.63 23.85
Zeolites
EMC-2
d 15.057 14.173 13.297 10.320 8.693 8.003 7.529 7.410 7.276 7.087 6.649 6.412 5.888 5.691 5.580 5.306 5.281 5.160 4.942 4.875 4.731 4.724 4.529 4.508 4.437 4.432 4.347 4.151 4.132 4.016 4.002 3.911 3.820 3.764 3.732
16:323-802,
c = 28.3459 A y = 120”
Ch. Baerlocher, L. B. McCusker and R. Chiappetta, Microporous Materials 2, 269-280 (1994).
hf
I rel
hk
1
28
d
6 2 12 12 6 12 6 12 12 2 12 12 12 12 24 12 24 12 12 24 12 2 12 12 24 12 6 12 24 24 12 12 24 6 12
100.0 41.5 29.6 0.2 9.9 12.7 2.7 6.1 1.5 0.3 0.7 2.1 0.6 7.0 3.8 1.2 0.8 6.1 0.1 2.5 1.4 0.2 0.4 1.0 0.7 0.1 3.8 0.3 0.2 1.0 1.5 2.0 4.4 2.1 0.7
40 21 314 20 32 10 30 315 32 410 11 32 30 31 32 50 50 50 2 33 30 50 33 0 4 42 32 1 50 22 42 5 31 1 50
2 6
24.47 24.49 24.75 24.97 25.79 25.83 25.90 26.51 26.56 27.14 27.18 27.49 28.32 28.53 28.75 29.66 29.84 30.34 30.77 30.86 30.89 31.17 31.51 31.56 31.60 32.08 32.10 32.13 32.30 32.60 32.87 33.13 33.16 33.24 33.70
3.638 3.635 3.598 3.566 3.454 3.449 3.440 3.362 3.356 3.286 3.281 3.244 3.1Ti2 :1.129 3.105 3.011 2.995 2.946 2.905 2.898 2.895 2.869 2.839 2.835 2.831 2.790 2.788 2.786 2.772 2.746 2.725 2.704 2.702 2.695 2.660
1996
7 0 8 6 2
0
0 2
0
1 1
8 3 7 6 4 0 1 2 9 0 8 3 2 10 1 2 6 10 4 8 3 0 8 10 5
31 Ire1
hk
12 24 24 12 12 12 12 24 24 12 12 24 12 24 24 6 12 12 12 6 12 12 12 2 24 24 24 12 12 12 24 12 24 12 12
512 42 32 513 41 1 60 6 60 0 60 6 42 4 5 6 70 4 13 53 2 62 60 62 2 3 714 63 54 1 5 54 5 72
0.4 0.1 2.1 0.3 0.7 0.7 0.2 1.4 0.3 1.7 2.1 0.9 0.3 0.2 1.6 0.1 0.1 0.2 0.3 1.3 1.4 3.4 0.2 1.6 0.2 0.5 0.3 0.3 1.5 1.0 0.3 0.3 0.6 0.2 0.7
1 4 7
0 0 0 1 4 1 1 0
0
0 1
0 1 2
7 11 0 3 4 12 5 3 8 0 8 5 2 11 7 3 13 2 8 3 14 13 0 3 15 11 4 10 1
20 33.74 33.95 34.12 34.50 35.17 35.34 35.78 37.06 38.04 38.10 39.26 40.42 40.66 41.55 42.03 42.47 -22.51 42.51 42.82 43.13 43.19 43.82 44.23 44.43 46.44 47.01 47.35 47.95 48.17 48.55 48.82 48.96 49.64 49.66
d
Al
IreI
2.656 2.641 2.628 2.600 2.551 2.540 2.509 2.425 2.366 2.362 2.295 2.231 2.219 2.173 2.150 2.128 2.127 2.126 2.112 2.097 2.094 2.066 2.048 2.039 1.955 1.933 1.920 1.897 1.889 1.875 1.866 1.860 1.837 1.836
24 24 24 24 24 12 6 12 12 2 12 24 2-1 6 24 24 12 12 24 24 12 24 12 24 12 24 24 12 24 12 24 24 24 24
0.2 1.2 0.6 1.9 0.2 0.4 0.1 0.2 0.4 0.4 0.7 0.1 0.1 0.5 0.3 0.1 0.1 0.6 0.4 0.1 0.1 0.3 0.5 0.3 0.2 0.2 0.2 0.3 0.2 0.1 0.3 0.1 0.1 0.1
Calcined
EMC-2
-3 -==s
Zeolites
16:323-802,
1996
435
EMT
Partially
Nazo(Si7sAlzoOlg2).4C1206H24.22.6H20
CRYSTAL
P6s/mmc (No. a = 17.3741 A o! = 90”
20
1 0 0 0 1 0 1 0 1 1 1 0 2 0 1 1 2 0 0 0 2 0 1 0 2 0 2 1 2 1 1 1 1 0 2 1 2 0 3 0 2 1 3 0 0 0 2 0 1 0 2 1 3 0 2 2 2 2 1 1 3 1 2 1 2 0 1 0 3 1 4 0 3 0 4 0 2 2 4 0 3 1 3 2 1 0 3 0 3 2
436
0 5.87 2 6.23 1 6.65 2 8.57 0 10.18 3 11.05 0 11.76 2 11.95 1 12.17 4 12.48 2 13.32 4 13.81 3 15.05 0 15.58 1 15.89 4 16.13 5 16.70 2 16.80 4 17.18 1 17.96 3 18.20 2 18.77 6 18.77 5 19.60 6 19.68 4 20.01 3 20.04 0 20.45 2 21.39 6 21.40 1 21.52 5 22.13 6 22.21 7 22.73 3 23.30 0 23.65 5 23.68 1 23.86 4 24.03 2 24.48 4 24.75 0 25.81 8 25.82 6 25.90 1 26.00
Zeolites
EMC-2
COMPOSITION: DATA:
REFERENCE
hkl
dehydrated
16:323-802,
c = 28.3646 A y = 120”
Ch. Baerlocher, L. B. McCusker and R.. Chiappetta, Microporous Materials 2, 269-280 (1994).
d
M
I rel
hk
15.046 14.182 13.292 10.320 8.687 8.005 7.523 7.408 7.272 7.091 6.646 6.414 5.887 5.687 5.576 5.493 5.308 5.278 5.160 4.939 4.873 4.728 4.727 4.530 4.510 4.436 4.431 4.344 4.153 4.152 4.129 4.016 4.003 3.913 3.818 3.762 3.757 3.729 3.704 3.636 3.597 3.452 3.451 3.440 3.427
6 2 12 12 6 12 6 12 12 2 12 12 12 12 24 12 12 24 12 12 24 12 2 12 12 24 12 6 12 12 24 24 12 12 24 6 12 12 12 12 24 12 12 12 24
100.0 41.3 9.8 3.4 1.1 4.0 4.0 7.3 1.9 0.1 0.5 0.1 0.7 8.1 2.4 0.2 5.1 0.8 8.2 0.1 1.7 4.5 0.1 0.9 2.6 1.9 0.2 7.7 0.8 0.2 0.8 2.0 2.8 4.5 6.5 3.8 0.3 1.2 0.1 0.7 5.5 0.6 1.3 0.2 0.1
3 3 4 4 1 3 4 3 5 2 5 2 3 3 5 3 0 4 4 3 1 5 2 2 4 5 3 1 3 3 5 5 4 3 5 4 4 1 2 5 6 6 5 2 6
1996
194) b = 17.3741 8, I!?= 90”
120 1 5 2 2 0 4 1 0 1 8 3 2 2 1 2 4 0 0 1 8 0 2 0 9 3 0 0 8 0 3 2 3 0 10 2 1 2 2 2 6 0 10 0 4 1 9 2 8 2 3 1 0 1 8 1 10 4 3 0 9 0 5 1 2 2 4 2 7 1 3 0 8 1 7 0 11 1 10 1 4 0 0 0 2 1 5 0 11 0 3
26.52 26.58 26.83 27.16 27.16 27.51 27.89 28.76 29.69 29.69 30.36 30.76 30.88 30.88 31.19 31.53 31.54 31.62 32.10 32.11 32.11 32.32 32.48 32.60 32.89 33.15 33.15 33.23 33.42 33.58 33.71 33.76 33.97 34.12 34.52 34.77 35.18 35.31 35.36 35.55 35.81 36.38 36.84 36.85 37.09
d 3.362 3.354 3.323 3.283 3.283 3.243 3.199 3.104 3.009 3.009 2.944 2.907 2.896 2.895 2.868 2.837 2.837 2.829 2.788 2.788 2.787 2.770 2.757 2.747 2.723 2.702 2.702 2.696 2.681 2.669 2.658 2.655 2.639 2.628 2.598 2.580 2.551 2.541 2.538 2.525 2.508 2.469 2.440 2.439 2.424
hf 24 24 12 12 12 24 24 24 6 24 12 12 6 12 12 12 2 24 24 24 12 12 24 12 24 12 24 12 12 12 12 24 24 24 24 12 24 12 24 24 6 12 24 12 12
IreI 1.5 0.5 0.2 3.3 2.4 1.0 0.4 3.0 0.1 0.8 0.5 0.7 1.4 2.1 5.0 0.6 1.6 1.0 0.6 0.6 1.1 2.9 0.2 2.2 0.5 0.6 0.3 1.1 0.2 0.2 1.9 0.4 1.0 0.9 2.0 0.3 0.7 0.6 0.3 0.3 0.7 0.3 0.3 0.1 0.2
h 5 4 6 0 1 4 6 5 6 3 4 4 6 4 5 3 6 4 1 5 5 6 4 7 4 5 7 2 4 2 3 6 7 6 6 4 4 5
k 2 3 0 0 0 2 1 0 0 0 1 3 1 2 2 2 1 4 0 3 1 1 0 0 3 3 0 0 4 2 2 2 0 0 2 3 1 1
1 0 3 4 12 12 7 0 8 5 11 9 5 3 8 5 10 4 0 13 0 8 5 11 2 7 3 3 13 4 12 11 2 4 8 3 8 11 10
20 37.32 37.58 38.06 38.07 38.55 38.68 39.26 39.27 39.28 39.29 39.64 39.75 40.45 40.67 40.68 41.19 41.36 41.58 41.83 42.03 42.04 42.50 42.50 42.54 42.83 43.16 43.16 43.17 43.58 43.59 43.82 43.86 44.02 44.24 44.46 44.67 44.68 46.41
2 3 7 4 5 7 6
0
14
46.41
1 1 1
13
46.99
4
47.38
12
3 0 3
7 7 0
47.39 47.91 47.91 47.99
d 2.409 2.393 2.364 2.364 2.335 2.328 2.295 2.294 2.294 2.293 2.274 2.267 2.230 2.218 2.218 2.192 2.183 2.172 2.159 2.150 2.149 2.127 2.127 2.125 2.111 2.096 2.096 2.096 2.077 2.076 2.066 2.064 2.057 2.047 2.037 2.029 2.028 1.957 1.956 1.934 1.919 1.918 1.899 1.899 1.896
M 12 24 12 2 12 24 12 12 12 12 24 24 24 24 24 24 24 6 12 12 24 24 12 12 24 24 12 12 12 12 24 24 12 12 24 24 24 24 12 24 24 24 24 12 12
I,.el 0.3 0.3 0.5 0.8 0.4 0.2 0.1 0.2 1.3 0.2 0.2 0.1 0.2 0.2 0.1 0.2 0.2 0.9 0.1 0.1 0.5 0.4 1.2 0.2 0.8 0.2 0.1 0.3 0.2 0.1 0.1 0.5 0.1 0.4 0.3 0.3 0.3 0.1 0.3 0.2 0.3 0.1 0.1 0.2 0.4
Partially
dehydrated
EMC-2
Zeolites
16:323-802,
1996
437
EPI
Epistil bite
COMPOSITION:
(Na~.~~K~.~Ca~.~~)(Si~~.~~A1~.~~0~s)~15.74H~0 Teigerhorn, Iceland.
CRYSTAL
Cl 2/m 1 (No. a = 9.08 A cI1= 90”
DATA:
REFERENCE:
h
k 1 2 0
0 0 -1 1 0 -1 -1 1 -2 0 1 -2 0 -2 0 -1 -2 0 2 1 2 -2 -1 -1 1 -2 -2 -2 0 -3
0 1 1 2 1 3 3 0 4 1 0 0 2 4 3 2 2 0 3 2 0 5 1 5 4 2 4 4 1
1 1 0 1 2 1 0 1 0 1 2 2 1 1 2 2 2 0 1 0 3 1 3 0 1 3 2 2 2
112 0 -1 -1 2 2 -3 0
438
6 5 3 0 4 1 0
0 2 3 1 0 1 3
Zeolites
28
d
9.97 10.48 11.58 12.84 14.48 18.02 18.30 19.13 19.78 20.02 20.45 20.98 21.04 22.19 22.65 22.96 23.28 23.34 23.79 24.94 25.85 26.75 27.25 27.26 27.83 28.29 28.61 29.16 29.20 29.96 30.05 30.23 30.65 30.83 31.17 31.29 31.53 31.79
8.870 8.443 7.642 6.892 6.116 4.924 4.848 4.639 4.489 4.435 4.342 4.234 4.222 4.006 3.926 3.873 3.821 3.812 3.740 3.570 3.446 3.333 3.272 3.272 3.206 3.155 3.120 3.062 3.058 2.982 2.974 2.957 2.917 2.901 2.870 2.859 2.837 2.814
16:323-802,
12) unique axis b, cell choice 1 b = 17.74 A c = 10.25 H+ /3 = 124.54” y = 90”
A. J. Perrotta, Mineral. Mag. 36. 480-490
It1 2 2
4 4
4 4 4 4
4
2
1996
I rcl 53.4 17.1 4.6 70.0 1.5 73.6 12.7 9.3 15.4 4.5 37.7 2.4 0.3 12.6 13.3 100.0 11.0 32.9 14.8 1.3 83.0 10.7 16.9 11.5 44.5 0.3 0.2 6.6 0.7 9.4 2.9 2.1 50.1 2.1 0.7 42.8 3.6 1.1
h k 0 -3 1 2 -3 1 0 -2 -2 -3 3 -2 -1 -1 -2 0 2 -3 1 -1 0 2 -3 3 -1 -4 -3 -4 -1 -3 1 -2 0 -2 -3 1 -4 -4
6 I 5 2 3 3 2 4 0 3 1 2 7 5 6 6 4 1 7 1 4 6 5 3 7 0 3 0 3 5 1 4 8 6 5 7 2 2
1 1 3 1 1 2 2 3 3 4 3 0 4 1 3 2 2 1 4 0 4 3 0 2 0 2 3 4 2 4 1 3 4 0 3 3 1 3 2
28 32.07 32.11 32.19 32.80 33.26 33.34 33.40 33.63 35.02 35.23 36.39 36.50 37.03 37.03 37.09 37.12 37.32 37.41 37.47 37.48 37.86 38.83 39.13 39.21 39.67 39.99 40.17 40.17 40.24 40.38 40.46 40.66 40.69 40.80 40.85 40.92 41.32 41.50
d 2.790 2.787 2.781 2.730 2.693 2.687 2.683 2.664 2.562 2.547 2.469 2.462 2.428 2.428 2.424 2.422 2.409 2.404 2.400 2.400 2.376 2.319 2.302 2.297 2.272 2.254 2.245 2.245 2.241 2.233 2.230 2.219 2.217 2.212 2.209 2.206 2.185 2.176
(1967).
nr I rel
4 2 4 3
4 4 4 4 4
4 4 2 4
0.7 15.2 0.6 0.2 12.6 15.2 6.3 4.0 12.6 5.4 1.9 7.8 0.6 11.8 8.0 0.5 2.8 1.5 0.3 1.5 0.3 4.4 0.7 0.2 0.2 3.9 1.6 0.2 1.2 0.7 6.7 9.7 0.3 4.5 1.0 0.6 2.9 0.2
h k 2 0 1 -4 2 -4 0 3 0 -4 -2 -3 -1 -3 -4 -1 2 -2 -2 3 -2 0 -3 1 -2 -3 -4 2 1 0 -3 -4 -3 3 -4 -2 -1
2 0 3 0 6 2 2 5 6 2 0 1 7 5 4 5 4 8 2 3 8 8 7 7 6 3 4 8 9 4 7 0 7 0 2 4 9
1 2 4 3 1 1 4 4 0 3 1 5 5 3 4 2 4 2 1 5 1 2 2 2 2 4 5 4 0 0 4 1 5 3 0 5 5 2
20 41.60 42.84 43.06 43.22 43.97 43.97 44.10 44.41 44.44 44.47 44.63 44.90 44.95 45.27 45.28 45.34 45.37 45.63 45.85 46.05 46.21 46.24 46.76 46.82 46.92 47.30 47.60 47.68 47.71 47.72 47.85 47.93 48.26 48.70 49.08 49.37 49.55
cl 2.171 2.111 2.101 2.093 2.059 2.059 2.054 2.040 2.038 2.037 2.030 2.019 2.016 2.003 2.003 2.000 1.999 1.988 1.979 1.971 1.964 1.963 1.943 1.940 1.936 1.922 1.910 1.907 1.906 1.906 1.901 1.898 1.886 1.870 1.856 1.846 1.840
n1 2
2 4 4 4
4 4 4
4 4
4 2 2 4 4
I Rl 2.6 0.2 4.0 3.2 0.7 3.0 3.5 0.6 0.8 0.6 3.3 4.2 1.0 1.4 8.0 0.7 3.8 0.4 0.5 1.3 1.4 3.5 3.4 5.3 2.0 0.1 3.7 3.3 2.1 3.8 0.5 0.3 0.1 16.8 0.8 0.4 3.4
EPI
Epistil bite
Zeolites
16:323-802,
1996
439
ERI
Erionite
COMPOSITION:
CRYSTAL
DATA:
P~~/VLTK (NO. 194) a = 13.27 A b = 13.27 A ck = 90” p = 90”
REFERENCE:
hkl 1 1 0 1 1 2 2 1 2 2 2 3 2 0 2 1 3 2 2 1 3 2 3
440
28 0 0 0 1 0 0 0 0 0 1 1 0 0 0 1 0 0 2 1 1 1 0 1
0 1 2 0 2 0 1 3 2 0 1 0 3 4 2 4 2 0 3 4 0 4 1
Zeolites
7.69 9.68 11.76 13.34 14.07 15.42 16.51 19.30 19.44 20.45 21.29 23.22 23.54 23.65 23.65 24.90 26.10 26.87 27.16 27.25 27.99 28.35 28.63
d 11.492 9.134 7.525 6.635 6.296 5.746 5.368 4.598 4.567 4.344 4.173 3.831 3.779 3.763 3.762 3.576 3.414 3.318 3.284 3.273 3.187 3.148 3.118
16:323-802,
1996
c = 15.05 A y = 120"
J. A. Gard and J. M. Tait, Proc. Third Inter. Conf. on Molec. Sieves, Recent Prog. Reports Zurich, Ed. by J. B. Uytterhoeven, Leuven University Press, 94-99 (1973).
iv
Ire1
hkl
6 12 2 6 12 6 12 12 12 12 24 6 12 2 24 12 12 6 24 12 12 12 24
100.0 23.5 13.3 24.8 6.5 4.6 4.3 5.3 7.9 11.2 7.1 9.0 1.4 2.2 15.1 13.3 0.6 4.0 3.7 1.0 0.8 6.5 0.7
3 1 4 2 4 3 4 2 3 0 4 4 2 3 2 4 1 2 5 4 5 4 3
1 0 0 1 0 1 0 0 2 0 1 0 2 2 1 1 1 0 0 0 0 1 3
2 5 0 4 1 3 2 5 1 6 0 3 4 2 5 1 6 6 0 4 1 3 0
20
d
44
Ire1
h/i-l
30.46 30.70 31.13 31.46 31.71 33.30 33.38 33.61 34.54 35.80 35.81 36.02 36.09 36.10 36.31 36.32 38.36 39.19 39.19 39.46 39.67 40.20 40.80
2.935 2.912 2.873 2.844 2.822 2.690 2.684 2.666 2.597 2.508 2.508 2.493 2.488 2.488 2.474 2.474 2.346 2.299 2.298 2.283 2.272 2.243 2.212
24 12 6 24 12 24 12 12 24 2 12 12 12 24 24 24 12 12 6 12 12 24 6
0.9 0.5 8.1 18.0 8.1 0.8 4.2 0.9 0.2 0.9 5.1 0.3 0.8 2.4 1.3 0.2 0.3 0.1 0.3 0.3 0.4 0.4 1.7
5 3 1 3 5 4 5 5 3 5 2 4 5 3 4 4 0 4 4 1 5 4 5
0 3 0 0 0 2 1 1 1 0 1 1 1 3 0 3 0 2 3 0 2 3 0
2 2 7 6 3 2 1 2 6 4 7 5 3 4 6 0 8 4 1 8 0 2 5
20
d
Ad
Ire1
41.06 42.61 42.79 43.11 43.30 43.36 44.29 45.57 46.04 46.29 47.17 47.17 47.64 47.70 48.16 48.16 48.38 48.39 48.57 49.07 49.53 49.76 49.92
2.198 2.122 2.113 2.099 2.090 2.087 2.045 1.991 1.971 1.961 1.927 1.927 1.909 1.907 1.889 1.889 1.881 1.881 1.875 1.857 1.840 1.832 1.827
12 12 12 12 12 24 24 24 24 12 24 24 24 12 12 12 2 24 24 12 12 24 12
0.4 1.5 0.2 0.9 0.3 1.1 0.3 1.1 0.2 0.7 0.2 0.4 0.2 0.2 0.9 0.1 2.9 0.2 0.3 0.9 1.4 0.2 0.6
Erionite
i
-1
Zeolites
16:323-802,1996
441
ERI
Piperidine
COMPOSITION:
(A11sP1s07~).4C5H~lN.4H20
CRYSTAL
P63/m (No. 176) a = 13.2371 a b = 13.2371 A fi = 90” Q = 90”
DATA:
REFERENCE:
h k 1 1 0 0 1 0 1 1 1 2 2 1 2 1 1 2 1 2 1 3 1 2 2 0 1 3 2 2 2 1 1 3 3 2 2 1 3 4
442
0 0 1 0 1 0 0 1 0 0 2 1 2 1 1 0 2 1 0 0 0 0 2 1 2 1 3 1 1 0 2 3 1 0
Zeolites
1 2 0 2 1 0 1 2 2 3 0 0 1 1 3 0 2 2 3 4 4 2 0 3 1 4 0 0 1 4 2 2 2 0
AIPOd-17
28 7.71 9.77 11.98 13.38 14.27 14.67 15.46 16.59 18.00 19.60 19.62 20.50 20.50 21.37 21.37 22.51 23.28 23.81 23.81 23.82 24.10 25.34 26.26 26.94 27.42 27.62 27.66 28.06 28.06 28.72 28.76 29.58 30.61 30.61 31.21
16:323-802,
d
J. J. Pluth, Acta Cryst.
Al
11.464 9.056 7.385 6.618 6.209 6.040 5.732 5.344 4.929 4.528 4.524 4.333 4.333 4.158 4.158 3.950 3.821 3.737 3.737 3.735 3.693 3.515 3.394 3.309 3.253 3.229 3.225 3.179 3.179 3.108 3.104 3.020 2.920 2.920 2.866
1996
6 12 2 6 12 12 6 12 12 12 12 6 6 12 12 12 6 12 12 12 2 12 12 6 12 12 12 6 6 12 12 12 12 12 6
I rel 100.0 44.5 1.7 44.5 8.8 0.5 19.4 8.1 6.6 12.4 15.2 14.6 9.6 9.8 4.8 4.3 7.5 3.7 6.5 1.6 1.4 26.6 0.1 14.7 6.8 0.4 1.9 0.6 0.4 1.6 4.9 0.1 1.2 2.6 8.8
J. V. Smith and J. M. Bennett. C42, 283-286 (1986).
hkl 1 4 1 2 2 1 4 3 3 3 2 3 1 4 2 3 4 1 0 1 1 3 1 4 3 2 5 5 4 1 4 3 5 3 3
c = 14.7708 A “i = 120”
0 0 2 1 2 1 0 1 0 2 0 2 4 1 3 2 0 4 0 2 3 1 0 1 0 3 0 0 0 4 1 3 0 3 1
5 1 4 4 3 5 2 3 4 0 5 1 0 0 2 2 3 1 6 5 4 4 6 2 5 3 0 1 4 3 3 0 2 1 5
28
d
Al
Iye,
hkl
31.27 31.81 31.84 31.84 32.60 33.21 33.54 33.55 33.75 34.09 34.14 34.64 35.90 35.90 36.26 36.26 36.27 36.43 36.50 36.82 37.32 37.32 37.36 37.98 38.52 38.82 39.30 39.79 39.81 40.44 40.44 30.90 41.23 41.38 41.74
2.861 2.813 2.810 2.810 2.746 2.698 2.672 2.671 2.655 2.630 2.626 2.589 2.502 2.502 2.477 2.477 2.477 2.466 2.462 2.441 2.409 2.409 2.407 2.369 2.337 2.320 2.293 2.266 2.264 2.230 2.230 2.206 2.190 2.182 2.164
12 12 12 12 12 12 12 12 12 6 12 12 6 6 12 12 12 12 2 12 1’ 12 12 12 12 12 6 12 12 12 12 6 12 12 12
1.1 14.1 4.8 7.0 0.3 0.1 6.6 1.1 0.2 0.1 0.9 0.3 0.9 2.2 0.5 0.2 0.2 0.2 1.8 1.2 0.1 0.3 0.6 0.4 0.1 0.1 0.4 1.0 1.7 0.6 0.8 0.2 0.6 0.2 0.1
2 3 1 2 3 4 5 1 3 4 1 3 1 1 5 2 2 5 6 1 4 5 1 2 3 3 4 4 0 2 5 3 4
4 2 2 1 3 2 0 0 0 0 5 3 1 5 1 2 3 0 0 4 1 1 2 1 3 4 3 0 0 5 2 4 3
1 4 6 6 2 2 3 7 6 5 1 3 7 2 2 6 5 4 0 5 5 3 7 7 4 1 1 6 8 0 0 2 2
20
d
Al
42.16 42.18 42.22 42.22 42.78 43.53 43.54 43.61 43.74 44.02 44.42 45.03 45.10 45.75 45.75 45.95 46.21 46.63 47.59 47.63 47.63 47.89 47.95 47.9.5 48.04 48.71 48.71 48.76 49.36 39.66 49.66 49.94 49.94
2.143 2.142 2.140 2.140 2.114 2.079 2.078 2.075 2.069 2.057 2.039 2.013 2.010 1.983 1.983 1.975 1.964 1.948 1.911 1.909 1.909 1.899 1.897 1.897 1.894 1.869 1.869 1.867 1.846 1.836 1.836 1.826 1.826
12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 6 12 12 12 12 12 12 12 12 12 2 6 6 12 12
IreI 0.2 0.2 0.3 0.2 0.2 0.4 0.9 0.6 3.4 0.2 0.4 0.1 0.1 0.5 1.0 0.1 0.6 1.7 0.1 0.1 0.3 0.2 0.3 0.2 0.1 0.2 0.3 0.3 2.9 0.9 2.4 1.1 0.6
Piperidine
ERI
AlPOd -17
Zeolites
16:323-802.
1996
443
EUO
Calcined,
444
(Si1120224).36,16H20
CRYSTAL
Cmme (No. 67) a = 13.695 A b = 22.326 i% ck = 90” p = 90”
h
k
1
28
0 0 1 0 0 112 0 2 2 13 2 0 2 2 0 1 0 2 0 0 2 1 2 3 2 0 2 1 3 0 1 2 1 3 2 1 0 0 0 2 3 1 0 4 4
0 2 1 0 21
1 0 1 2
2 0 01
2 0
4.38 7.92 8.75 8.76 9.05 11.59 11.82 12.93 13.66 14.24 15.18 15.38 15.64 15.81 15.88 16.15 16.48 17.55 17.58 18.16 18.49 19.17 20.14 20.34 20.53 20.68 21.00 21.39 21.74 22.03 22.26 22.36 22.72 23.28 23.31 23.32 23.44 23.77 23.91 24.46 24.52 24.80 25.51 26.02 26.40
Zeolites
EU-1
COMPOSITION: DATA:
d
M
I RI
h
k
1
28
2 2 8 2
3.5 100.0 64.0 5.3 8.4 9.1 4.1 12.5 2.1 5.3 4.8 9.2 0.3 1.9 0.9 5.4 3.1 2.1 0.4 3.5 1.7 44.9 6.2 18.3 63.6 14.4 0.4 0.2 2.0 0.8 47.2 0.6 2.0 6.5 1.5 1.5 18.7 1.0 14.8 2.1 0.7 2.3 0.7 13.3 1.3
3 0 3 2 4 0 2 0 15 4 1 2 3 3 2 3 1 4 0 1 1 2 4 2 2 4 3 0 4 1 4 0 0 0 4 2 0 3 0 3 4 2 1 1 1
3 0 1 2 2 4 6 6
3 6 4 5 0 5 0 3 4 2 6 1 1 2 2 4 1 3 4 6 2 5 3 3 6 1 3 7 4 3 2 7 0 1 4 3 5 4 2 6 3 7 4 7 6
26.46 26.50 26.64 26.86 27.24 27.27 27.28 27.39 27.46 27.51 27.60 27.64 28.31 28.67 28.70 28.98 29.08 29.27 29.84 29.88 30.10 30.29 30.37 30.40 30.68 30.96 31.01 31.02 31.58 31.73 31.92 32.07 32.07 32.38 32.61 32.64 32.74 33.21 33.31 33.33 33.47 33.74 33.89 33.99 34.01
20.178 11.163 10.105 10.089 9.768 7.633 7.485 6.847 6.484 6.220 5.837 5.761 5.666 5.607 5.581 5.487 5.380 5.052 5.045 4.884 4.798 4.631 4.408 4.366 4.326 4.295 4.230 4.154 4.089 4.036 3.994 3.976 3.913 3.821 3.817 3.814 3.795 3.743 3.721 3.639 3.631 3.590 3.491 3.424 3.376
16:323-802,
c = 20.178 A y = 90”
N. A. Briscoe, D. W. Johnson, M. D. Shannon, and L. B. McCusker, Zeolites 8, 74-76 (1988).
REFERENCE:
1 2 0 2 3 0 2 2 1 4 0 3 2 41 2 2 0 4 4 2 0 3 1 4 2 3 1 1 4 0 4 3 4 1 5 1 1 2 0 5 3 4 4 2 5 2 3 1 2 4 1 5 2 5 4 4 6 0 4 3 3 2 5 3 6 2 0 0 01
rehydrated,
8 2 8
8 8 8 4 4 8 8 8 2 8 8 8 8 8 8 4
2 4
1996
0 1 6 5 2 6 3 7 0 6 3 7 4 2 6 2 4 5 0 0 7 4 2 8 8 2 6 6 5 8 1 4 0 7 3 5
d 3.368 3.363 3.347 3.319 3.273 3.270 3.269 3.256 3.248 3.242 3.232 3.227 3.153 3.113 3.110 3.081 3.070 3.051 2.995 2.991 2.969 2.951 2.943 2.941 2.914 2.888 2.884 2.883 2.833 2.820 2.804 2.791 2.791 2.764 2.746 2.744 2.736 2.697 2.690 2.688 2.677 2.657 2.645 2.638 2.636
iL1 2 8 8 3 4
8 8 8 4 8 8 8 8 8 8 8 8 2
8 8 8 8 8 8
G. T. Kokotailo
I rel
h
k
1
28
d
M
IreI
0.1 0.1 16.1 2.7 28.3 2.2 3.5 0.9 19.1 0.6 4.1 1.7 7.3 1.1 0.1 3.7 2.9 1.6 0.8 2.4 0.7 1.0 0.5 5.7 0.6 0.2 2.4 1.1 0.2 0.7 0.4 0.5 0.4 0.8 1.0 0.1 0.1 7.7 0.4 0.6 0.2 0.7 0.5 0.8 1.1
5 4 3 2 2 0 2 0 5 4 2 3 4 0 5 4 3 2 5 0 4 1 3 2 5 1 1 4 4 3 5 2 0 0 5 1 0 5 6 4 0 6 0 4 6
1
2 5 1 7
34.16 34.35 34.59 34.71 34.71 34.80 35.00 35.03 35.20 35.31 35.33 35.47 35.54 35.59 35.62 X.63 35.87 35.87 36.06 36.52 36.77 37.10 37.10 37.27 37.58 37.72 37.92 38.05 38.37 38.79 38.83 39.16 39.19 39.25 39.34 39.49 39.55 39.62 39.74 40.00 40.22 40.52 40.66 40.94 41.35
2.625 2.611 2.593 2.585 2.584 2.578 2.563 2.561 2.550 2.542 2.540 2.531 2.526 2.522 2.520 2.519 2.504 2.504 2.491 2.460 2.444 2.423 2.423 2.412 2.393 2.385 2.372 2.365 2.346 2.321 2.319 2.300 2.298 2.295 2.290 2.282 2.279 2.275 2.268 2.254 2.242 2.226 2.219 2.204 2.183
8 4 8 8 4 4 8 4 8 8 8 8 8 2 8 4 8 8 8 4 8 8 8 8 8 8 8 8 8 8 8 8 4 4 8 8 4 8 4 8 2 4 4 8 8
0.7 1.0 0.6 0.3 0.4 2.7 0.4 0.7 0.1 0.3 1.2 0.1 0.1 6.0 0.9 2.1 0.4 0.1 0.5 3.7 0.2 1.0 0.5 4.5 2.3 0.6 0.3 0.4 0.7 2.7 1.9 0.2 1.0 0.5 3.8 0.5 0.8 0.1 0.6 0.2 0.5 0.1 0.2 0.2 0.2
0 7 2 80 8 8 4 3 2 6 72 4 0 1 6 55 8 32 2 6 9 1 8 1 5 9 4 2 7 5 8 4 8 3 7 6 5 0 6 0 0 10 4 2
3 1 7 1 5 5 4 8 3 0 2 8 2 1 7 3 3 7 2 5 6 4 1 4 8 5 4 6 7 2 1 4 9 2 1 6 2
Calcined,
rehydrated,
EUO
E&l
>
Zeolites
16:323-802,
1996
445
FAU
Fau iasite
COMPOSITION:
(Nag.f$a4.8)(Si134.4Al57.60384).263H~O Kaiserstuhl, Germany.
CRYSTAL
Fd3m (No. 227) origin at centre (3m) a = 24.74 A b = 24.74 A c = 24.74 A I2 = 90” 13 = 90” y = 90”
DATA:
REFERENCE:
hkl 1 2 3 2 4 3 4 5 4 5 6 5 4 5 6 7
446
20 1 2 1 2 0 3 2 1 4 3 2 3 4 5 4 3
1 0 1 2 0 1 2 1 0 1 0 3 4 1 2 1
Zeolites
6.19 10.11 11.86 12.39 14.32 15.61 17.56 18.64 20.30 21.25 22.73 23.58 24.93 25.7’2 26.97 27.70
d 14.284 8.747 7.459 7.142 6.185 5.676 5.050 4.761 4.373 4.182 3.912 3.773 3.571 3.464 3.306 3.221
16:323-802,
1996
W. H. Baur, Am. Miner. 49, 697-704
A,2
IreI
8 12 24 8 6 24 24 24 12 48 24 24 8 24 48 48
100.0 9.4 7.5 0.3 0.2 10.7 0.1 4.1 4.1 0.2 0.7 6.5 0.2 1.1 3.9 0.4
hkl 7 6 8 5 7 8 7 9 8 6 9 8 8 9 6 7
26’ 3 6 2 5 5 4 5 1 4 6 3 -1 6 5 6 7
3 0 2 5 1 0 3 1 2 4 1 4 2 1 6 5
29.55 30.66 30.66 31.31 31.31 32.37 32.98 32.98 33.19 33.99 34.58 35.55 37.06 37.61 37.79 40.43
(1964).
d 3.023 2.916 2.916 2.857 2.857 2.766 2.716 2.716 2.699 2.637 2.593 2.525 2.426 2.392 2.381 2.231
Al
IreI
24 12 24 8 48 24 48 24 48 24 48 24 48 48 8 24
1.2 1.3 0.7 3.5 0.4 1.2 0.5 0.2 0.2 2.1 0.8 0.2 0.2 0.1 1.1 0.3
hkl 11 8 9 10 9 11 8 12 9 8 12 10 9 13
26, 1 8 7 6 7 3 8 0 7 8 3 8 7 3
1 0 1 0 3 3 4 0 5 6 2 2 7 1
40.43 41.28 41.79 42.62 43.11 43.11 43.92 43.92 45.65 47.04 47.04 47.64 49.28 49.28
d
Ad
IreI
2.231 2.187 2.161 2.121 2.098 2.098 2.062 2.062 1.987 1.932 1.932 1.909 1.849 1.849
24 12 48 24 48 24 24 6 48 24 48 48 24 48
0.1 0.3 0.1 0.1 0.2 0.3 0.6 0.1 0.1 0.2 0.2 0.6 0.2 0.2
FAU
Faujasite
a
Zeolites
16:323-802,
1996
447
FAU
Dehvdrated
Na-X
COMPOSITION: CRYSTAL
DATA:
Fd3 (No. 203) origin at centre (5) a = 25.099 i% b = 25.099 A c = 25.099 H, p = 90” a = 90” y = 90”
REFERENCE:
hkl 1 2 3 4 3 5 4 5 4 6 5 6 6 6 7 6 8
448
28 1 2 1 0 3 1 4 3 4 2 3 2 2 4 3 6 2
Zeolites
1 0 1 0 1 1 0 1 2 0 3 2 4 2 3 0 2
6.10 9.97 11.69 14.11 15.39 18.37 20.01 20.94 21.24 22.40 23.24 23.51 26.58 26.58 29.12 30.21 30.21
16:323-802,
D. H. Olson, Zeolites 15, 439-443 (1995).
M
d 14.491 8.874 7.568 6.275 5.758 4.830 4.437 4.242 4.183 3.968 3.828 3.784 3.354 3.354 3.066 2.958 2.958
8 12 24 6 24 24 12 24 24 12 24 24 24 24 24 12 24
1996
Ire1 100.0 12.7 8.0 0.1 11.1 0.4 2.4 0.4 0.2 0.2 7.7 0.5 2.0 2.8 0.6 0.4 0.5
h
k
1
20
d
5 8 8 7 7 6 9 9 8 7 8 6 10 7 11 8 9
5 0 4 3 5 6 1 3 4 5 2 6 2 7 1 8 1
5 4 0 5 3 4 3 1 4 5 6 6 2 5 1 0 7
30.85 31.89 31.89 32.50 32.50 33.49 34.07 34.07 35.03 35.59 36.51 37.23 37.23 39.83 39.83 40.67 41.16
2.898 2.806 2.806 2.755 2.755 2.676 2.631 2.631 2.562 2.523 2.461 2.415 2.415 2.263 2.263 2.218 2.193
Af
Ire1
h
k
1
20
d
M
Ire,
8 12 12 24 24 24 24 24 24 24 24 8 24 24 24 12 24
4.5 0.5 0.7 0.1 0.2 2.7 0.5 0.5 0.3 0.3 0.1 0.6 0.3 0.3 0.8 0.8 0.1
11 11 10 11 8 12 9 8 12 12 10 10 9 9 11 11 9
1 3 4 3 8 0 9 8 2 4 2 8 9 7 3 7 9
3 1 4 3 4 0 1 6 4 2 8 2 3 7 7 3 5
41.16 41.16 41.33 42.46 43.26 43.26 46.17 46.32 46.32 46.32 46.92 46.92 47.36 48.53 48.53 48.53 49.67
2.193 2.193 2.185 2.129 2.092 2.092 1.966 1.960 1.960 1.960 1.936 1.936 1.919 1.876 1.876 1.876 1.835
24 24 24 24 24 6 24 24 24 24 24 24 24 24 24 24 24
0.1 0.2 0.1 1.0 0.3 0.3 0.2 0.2 0.2 0.2 0.3 0.4 0.2 0.2 0.2 0.2 0.2
Dehydrated
FAU
Na-X
-5:
4 -% -7 i
-3i
4 -z
-z
-0
r
I
-0
Zeolites
16:323-802,
1996
449
FAU
Hydrated
COMPOSITION:
Nass(Si104Al8sO384).220H20
CRYSTAL
Fd3 (No. 203) origin at centre (3) a = 25.028 A b = 25.028 A c = 25.028 /i
DATA:
REFERENCE:
450
h
k
1 2 3 2 3 4 3 5 4 5 6 6 5 6 4 5 6 6 7 7
1 2 1 2 3 2 3 1 4 3 0 2 3 2 4 5 2 4 3 3
Zeolites
(Iy = 90”
p = 90”
D. H. Olson, J. Phys. Chem.
74, 2758-2764
1 1 0 1 2 1 2 3 1 0 1 2 0 3 2 4 1 4 2 1 3
Na-X
6.12 10.00 11.73 12.25 15.43 17.36 18.42 18.42 20.07 21.00 22.47 22.47 23.31 23.58 24.64 25.41 26.65 26.65 27.37 29.21
16:323-802,
14.450 8.849 7.546 7.225 5.742 5.109 4.817 4.817 4.424 4.231 3.957 3.957 3.817 3.773 3.612 3.505 3.345 3.345 3.258 3.058
1996
8 12 24 8 24 24 8 23 12 24 12 12 24 24 8 24 24 24 24 24
100.0 10.4 3.8 0.2 6.5 0.1 0.3 1.3 2.0 0.6 0.2 1.1 6.2 0.5 0.2 0.2 2.4 3.2 0.1 1.2
6 8 5 7 7 6 8 8 7 7 9 8 8 6 9 9 8 8 6 10
6 2 5 1 5 6 0 4 3 5 1 2 4 6 1 3 4 2 6 2
0 2 5 5 1 2 4 0 5 3 1 4 2 4 3 1 4 6 6 2
y = 90”
(1970)
2H
d
M
IreI
30.30 30.30 30.93 30.94 30.94 31.15 31.98 31.98 32.59 32.59 32.59 32.80 32.80 33.59 34.17 34.17 35.13 36.61 37.34 37.34
2.950 2.950 2.890 2.890 2.890 2.871 3.798 2.798 2.747 2.747 2.747 2.731 2.731 2.668 2.624 2.624 2.554 2.454 2.408 2.408
12 24 8 24 24 24 12 12 24 24 24 24 24 24 24 24 24 24 8 24
1.0 1.7 5.7 0.4 0.4 0.2 1.6 1.8 0.1 0.4 0.1 0.1 0.1 3.4 0.6 0.5 0.5 0.1 1.2 0.2
hkl 7
11 8 9 9 9 11 11 8 11 8 9 12 12 10 10 12 9 9 13
7 1 8 1 5 7 1 3 8 3 8 9 2 4 2 8 4 7 9 3
5 1 0 7 5 1 3 1 2 3 4 1 4 2 8 2 4 7 5 3
20
d
39.95 39.95 40.79 41.29 41.29 41.29 41.29 41.29 41.45 42.59 43.38 46.31 46.46 46.46 47.06 47.06 48.24 48.67 49.82 49.82
2.257 2.257 2.212 2.187 2.187 2.187 2.187 2.187 2.178 2.123 2.086 1.960 1.954 1.954 1.931 1.931 1.887 1.871 1.830 1.830
lff
Ire1
24 24 12 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24
0.3 0.2 1.1 0.2 0.1 0.2 0.3 0.3 0.1 0.6 0.3 0.2 0.2 0.3 0.2 0.4 0.2 0.2 0.2 0.1
Hydrated
FAU
Na-X
Zeolites
l&323-802,
1996
451
FAU
Dehvdrated
COMPOSITION:
H18.9(Si173.1Al18.90384)
CRYSTAL
Fd3m (No. 227) origin at centre (5m) a = 24.171 A b = 24.171 A c = 24.171 A a = 90” p = 90” y = 90”
DATA:
REFERENCE:
hkl 111 2 3 4 3 4 3 5 4 5 4 6 5 4
452
2 1 0 3 2 3 1 4 3 4 2 3 4
0 1 0 1 2 3 1 0 1 2 0 3 4
Zeolites
US-Y
28
d
6.33 10.35 12.14 14.66 15.98 17.98 19.08 19.08 20.79 21.75 22.06 23.27 24.14 25.53
13.955 8.546 7.288 6.043 5.545 4.934 4.652 4.652 4.273 4.086 4.029 3.822 3.686 3.489
16:323-802,
1996
J. B. Parke, D. R. Corbin, L. Abrams and D. E. Cox, Acta Cry&. C40, 1493-1497 (1984).
M 8 12 24 6 24 24 8 24 12 48 24 24 24 8
Ire1 100.0 1.1 1.1 1.4 3.3 1.4 0.2 3.9 2.1 0.3 0.6 0.8 6.7 0.2
hkl 5 6 7 6 6 8 5 7 6 8 7 9 8 6
5 4 3 4 6 2 5 5 6 4 5 1 4 6
1 2 3 4 0 2 5 1 2 0 3 1 2 4
28
d
26.33 27.62 30.27 30.50 31.40 31.40 32.07 32.07 32.29 33.15 33.78 33.78 33.99 34.82
3.385 3.230 2.953 2.931 2.849 2.849 2.791 2.791 2.773 2.702 2.653 2.653 2.637 2.577
iv 24 48 24 24 12 24 8 48 24 24 48 24 48 24
Ire1 0.2 2.6 0.2 0.2 0.9 0.7 1.2 0.6 0.2 0.8 0.9 0.2 0.5 1.1
h
k
1
219
d
M
IreI
9 7 10 9 8 8 9 11 9 10 8 8 10
3 5 2 5 6 8 5 3 7 6 8 8 8
1 5 0 3 4 0 5 1 3 2 4 6 2
35.43 37.00 37.96 40.00 40.18 42.30 42.82 42.82 44.17 44.34 45.00 48.21 48.84
2.534 2.429 2.370 2.254 2.244 2.136 2.112 2.112 2.050 2.043 2.014 1.887 1.865
48 24 24 48 48 12 24 48 48 48 24 24 48
1.2 0.5 0.2 0.2 0.7 0.3 0.1 0.2 0.3 0.2 0.4 0.3 0.2
Dehydrated
FAU
US-Y
Zeolites
16:323-602,
1996
453
FAU
Siliceous
COMPOSITION:
Si1920384
CRYSTAL
Fd3m (No. 227) origin at centre (3m) a = 24.703 A b = 24.703 .k c = 24.703 A p = 90” cy = 90” y = 90”
DATA:
REFERENCE:
hkl 1 2 3 4 3 4 3 5 4 5 4 6 5 4 5 6
454
20 1 2 1 0 3 2 3 1 4 3 4 2 3 4 5 4
Zeolites
1 0 1 0 1 2 3 1 0 1 2 0 3 4 1 2
Na-Y
6.31 10.31 12.10 14.61 15.93 17.91 19.01 19.01 20.71 21.67 21.98 23.19 24.06 25.44 26.24 27.52
16:323-802,
d 14.005 8.576 7.314 6.064 5.565 4.952 4.668 4.668 4.288 4.100 4.043 3.836 3.699 3.501 3.397 3.242
1996
.J. J. Hriljac, M. M. Eddy, A. K. Cheetham, J. Solid State Chem. 106. 66-72 (1993).
ill
I rel
hk:l2H
8 12 24 6 24 24 8 24 12 48 24 24 24 8 24 48
100.0
7 7 6 8 5 7 8 7 8 6 9 8 7 8 9 6
18.6 12.5 0.3 16.0 0.1 0.2 4.3 6.4 0.3 0.1 1.3 7.6 0.3 1.2 4.6
3 3 6 2 5 5 4 5 4 6 3 4 5 6 5 6
1 3 0 2 5 1 0 3 2 4 1 4 5 2 1 6
28.26 30.16 31.29 31.29 31.95 31.95 33.03 33.66 33.87 34.69 35.29 36.28 36.87 37.82 38.38 38.57
d
Iv
frel
3.158 2.964 2.859 2.859 2.801 2.801 2.712 2.663 2.647 2.586 2.543 2.476 2.438 2.379 2.345 2.334
48 24 12 24 8 48 24 48 48 24 48 24 24 48 48 8
0.2 1.5 1.9 0.7 4.4 0.5 1.2 0.5 0.1 2.4 1.0 0.3 0.2 0.2 0.1 1.1
.J. A. Donohue
hkl 8 7 11 8 9 10 9 11 10 8 12 9 8 12 10
20 6 7 1 8 7 6 7 3 6 8 0 7 8 4 8
4 5 1 0 1 0 3 3 2 4 0 5 6 2 2
40.03 41.28 41.28 42.14 42.66 43.51 44.01 44.01 44.18 44.84 44.84 46.61 48.03 48.03 48.65
and G. J. Ray,
d 2.252 2.187 2.187 2.144 2.119 2.080 2.057 2.057 2.050 2.022 2.022 1.948 1.894 1.894 1.872
AI
rrt4
48 24 24 12 48 24 48 24 48 24 6 48 23 48 48
0.2 0.2 0.4 0.6 0.1 0.1 0.1 0.5 0.2 0.7 0.3 0.1 0.2 0.1 1.1
Siliceous
FAU
Na-Y
-4 j I z t t
Zeolites
16:323-602,
he
1996
455
FER
Ferrierite
COMPOSITION:
CRYSTAL
(Na1,5Mgz)(Si30,5A15.~0~~).18H~O Kamloops Lake, British Columbia,
DATA:
Immm (No. 71) b = 14.127 A a = 19.156 A c! = 90” p = 90”
REFERENCE:
hkl 110 2 0 0 2 1 0 0 1 3 1 2 2 2 1 1 2 3 0 4 0 1 3 3 2 0 3 4 2 4 1 3 3 0 0 5 1 1 1 0 4 2 0 5 0 2 4 0 2 6 0 1 4 3 1 2 2 5 2 4 3 5 3 4 0
456
Zeolites
0 0 1 1 0 0 1 1 1 0 0 1 1 0 1 0 2 0 2 0 2 1 0 2 0 1 2 2 1 1 0 2
28
d
M
I El
11.370 9.578 7.064 6.975 6.617 5.819 5.685 5.444 4.963 4.859 4.789 4.573 4.003 3.986 3.964 3.880 3.790 3.745 3.698 3.557 3.532 3.487 3.411 3.314 3.308 3.193 3.151 3.149 3.127 3.071 3.064 2.972 2.950
4 2 2 4 4 4 4 8 8 4 2 4 8 4 4 8 4 2 4 8 2 4 4 4 4 2 8 8 8 8 8 4 4
58.8 100.0 9.2 13.7 7.9 26.1 2.5 0.2 5.5 0.5 2.2 1.8 26.2 7.7 21.1 15.0 16.8 3.6 6.7 15.7 29.2 35.6 6.1 6.8 0.6 1.2 1.6 13.5 1.8 9.2 0.1 7.6 2.3
1996
c = 7.489 A y = 90”
P. A. Vaughan, Acta Cryst. 21, 983~-990 (1966).
7.78 9.23 12.53 12.69 13.38 15.23 15.59 16.28 17.87 18.26 18.53 19.41 22.21 22.30 22.43 22.92 23.47 23.76 24.07 25.04 25.22 25.54 26.13 26.91 26.95 27.95 28.32 28.34 28.54 29.07 29.15 30.07 30.30
16:323-802,
Canada.
h k 6 1 6 3 4 1 4 7 0 5 3 7 0 6 2 1 6 7 8 6 7 1 3 4 6 2 5 8 4 8 1 I 4
2 3 1 4 4 5 2 1 5 1 5 0 4 3 4 0 0 2 0 4 3 2 0 5 2 6 5 2 4 1 5 6 1
1
20
0 2 1 1 0 0 2 0 1 2 0 1 2 1 2 3 2 1 0 0 0 3 3 1 2 0 0 0 2 1 2 1 3
30.73 30.86 31.10 31.31 31.47 32.02 32.90 33.35 33.91 34.08 34.72 34.91 34.92 36.04 36.20 36.29 37.00 37.22 37.56 37.99 38.03 38.54 38.73 38.91 39.21 39.41 39.63 39.75 39.81 40.04 40.26 40.43 41.28
d 2.909 2.897 2.875 2.857 2.842 2.795 2.722 2.687 2.643 2.631 2.584 2.570 2.569 2.492 2.482 2.475 2.430 2.415 2.394 2.368 2.366 2.336 2.325 2.314 2.297 2.286 2.274 2.268 2.264 2.252 2.240 2.231 2.187
111 I,,, 4 8 8 8 4 4 8 4 4 8 4 4 4 8 8 4 4 8 2 4 4 8 4 8 8 4 4 4 8 8 8 8 8
0.2 5.1 0.8 0.2 0.8 0.4 3.6 0.9 4.2 0.7 2.8 0.7 1.1 0.8 1.3 0.2 2.8 0.6 0.2 0.2 3.3 0.6 0.2 2.2 0.4 0.2 0.2 0.3 1.1 0.7 0.8 0.1 0.7
hkl 7 2 3 3 4 9 9 6 1 8 1 5 6 7 0 8 9 0 6 5 3 8 9 5 3 10 0 1 4 2 2
1 3 5 6 6 1 0 5 4 0 7 2 4 3 6 4 2 7 1 5 4 2 3 6 7 0 0 1 6 0 5
2 3 2 1 0 0 1 1 3 2 0 3 2 2 2 0 1 1 3 2 3 2 0 1 0 0 4 4 2 4 3
28
d
41.36 42.04 42.51 42.67 42.80 42.97 44.24 44.49 44.70 44.93 45.18 45.21 45.30 45.34 45.51 45.78 46.16 46.61 46.63 46.74 46.78 46.83 46.84 46.89 47.23 47.46 48.63 49.33 49.53 49.61 49.65
2.183 2.149 2.127 2.119 2.113 2.105 2.047 2.036 2.027 2.017 2.007 2.005 2.002 2.000 1.993 1.982 1.966 1.949 1.948 1.944 1.942 1.940 1.940 1.938 1.924 1.916 1.872 1.847 1.840 1.837 1.836
M 8 8 8 8 4 4 4 8 8 4 4 8 8 8 4 4 8 4 8 8 8 8 4 8 4 2 2 8 8 4 8
Id 0.2 1.9 0.4 0.6 2.5 0.5 1.4 0.7 0.2 0.5 0.2 3.1 1.8 0.3 0.2 1.2 1.5 1.7 0.6 0.2 0.2 0.1 2.0 0.2 2.3 0.3 5.7 0.4 0.3 0.3 0.4
FER
Ferrierite
Zeolites
16:323-802,
1996
467
FER
Siliceous
COMPOSITION:
CRYSTAL
S&,072 Dealuminated,
DATA:
k
1
26’
1 0
1
7.86 9.45 12.58 12.83 13.49 14.30 15.53 15.76 16.50 17.37 18.01 18.96 19.51 19.81 22.43 22.50 22.82 23.34 23.73 23.99 24.60 24.82 25.28 25.32 25.83 25.83 26.61 26.67 27.08 27.17 27.42 27.60 28.48 28.61 28.70 28.83
0 2 0 1 111 1 2 112 2 2 0 3 2 3 2 2 114 3 0 10 12 121 4 2 0 12 0 4 2 115 2 4 0 12 2
458
0 0 1 1
2 0 1 0
0 0
3 2
10 11 0 0 12 1 1 0 0 2
4 1 0 3 4 3 0 5 0
0 0 14 2 2 2 1 5 0 2 2 0 2 1 11 0 6 3 2 2
Zeolites
16:323-802,
d 11.248 9.360 7.035 6.898 6.563 6.194 5.704 5.624 5.374 5.105 4.925 4.680 4.550 4.482 3.964 3.951 3.897 3.810 3.749 3.710 3.618 3.587 3.523 3.518 3.450 3.449 3.350 3.343 3.293 3.282 3.252 3.232 3.134 3.120 3.110 3.097
1996
synthetic
powder.
Pnnm (No. 581 a = 14.b7025 i b = 7.41971 A ,B = 90” o! = 90”
REFERENCE:
h
ferrierite
c = 18.720 A y = 90”
R. E. Morris, S. J. Weigel, N. J. Henson, in press (1994).
n/f
I i-d
h
k
4 2 2 4 4 8 4 4 8 4 8 2 4 8 4 8 4 8 4 2 4 4 8 2 8 4 8 4 4 4 8 8 8 2 8 8
1.9 100.0 16.2 28.3 13.5 0.1 5.1 7.1 1.1 0.3 0.6 3.8 0.3 0.1 5.1 12.9 8.8 7.1 11.9 3.7 5.3 0.2 7.7 15.2 0.6 16.4 0.5 3.3 5.9 0.2 0.4 0.1 0.7 0.5 8.2 0.9
2 4 3 3 0 3 2 1 1 4 3 2 3 5 4 1 5 4 4 0 4 0 3 1 0 2 1 1 0 4 3 5 6 2 5 4
1 1 0 2 2 2 0 2 1 0 2 2 2 1 1 2 0 2 2 1 2 3 1 3 2 1 3 2 0 0 0 1 0 2 0 2
1 5 2 5 0 4 1 6 4 6 4 2 4 3 0 4 5 3 0 1 7 2 1 6 0 6 7 2 6 8 6 7 4 2 6 5 4
L. M. Bull and A. K. Cheetham,
28
d
M
IreI
h
k
1
20
d
29.59 29.68 30.55 30.73 30.75 31.11 31.36 31.42 31.75 31.82 32.22 33.35 34.00 34.07 34.10 34.63 34.98 35.16 35.49 35.69 36.48 36.65 36.65 36.90 37.67 37.98 38.18 38.23 38.47 38.57 38.76 39.28 39.62 39.87 40.08 40.24
3.019 3.010 2.926 2.910 2.907 2.875 2.852 2.847 2.818 2.812 2.778 2.687 2.637 2.631 2.629 2.590 2.565 2.553 2.529 2.516 2.463 2.452 2.452 2.436 2.388 2.369 2.357 2.354 2.340 2.334 2.323 2.294 2.275 2.261 2.249 2.241
8 8 4 4 4 8 4 8 8 4 8 8 8 4 8 8 4 4 8 4 8 4 8 4 4 8 8 8 2 4 ‘I 8 4 8 4 8
4.2 0.1 2.5 0.2 1.0 1.9 0.3 0.1 0.6 0.1 0.3 1.3 0.1 2.1 0.2 0.5 1.0 0.5 0.1 0.6 1.0 0.5 0.8 0.4 1.5 0.6 0.1 0.2 0.2 0.2 1.1 0.8 0.3 0.5 0.3 0.4
6 5 3 1 1 3 3 2 5 6 6 6 4 5 0 6 2 0 4 6 3 1 4 7 2 4 5 1 6 7 2 3 4 0 1 6
1 2 1 1 3 3 2 1 2 1 0 1 3 1 1 2 3 2 2 2 2 2 0 1 1 3 2 3 1 0 2 0 1 4 4 2
0 1 7 8 4 2 6 8 3 3 4 4 1 6 9 0 5 8 6 1 7 8 8 0 9 3 5 6 5 3 8 9 8 0 0 4
40.33 40.52 40.70 40.94 41.80 42.43 42.48 42.50 42.86 42.97 43.15 44.93 45.07 45.07 45.28 45.77 45.82 45.85 45.93 46.04 46.10 46.32 46.62 46.83 47.18 47.23 47.25 47.34 47.35 47.52 47.74 47.84 48.30 49.11 49.57 49.97
2.236 2.226 2.217 2.204 2.161 2.130 2.128 2.127 2.110 2.105 2.097 2.018 2.012 2.011 2.003 1.982 1.980 1.979 1.976 1.971 1.969 1.960 1.948 1.940 1.926 1.925 1.924 1.920 1.920 1.913 1.905 1.901 1.884 1.855 1.839 1.825
AJf IreI 4 8 8 8 8 8 8 8 8 8 4 8 8 8 4 4 8 4 8 8 8 8 4 4 8 8 8 8 8 4 8 4 8 2 4 8
0.2 0.8 0.3 0.1 0.3 1.0 0.1 0.1 0.1 0.1 0.9 0.1 0.1 1.0 0.9 0.2 2.1 0.5 1.2 0.1 0.1 0.2 0.3 1.0 0.6 0.2 0.2 0.2 0.4 2.2 0.1 1.8 0.1 2.4 0.3 0.2
Siliceous
FER
ferrierite
\
Zeolites
16:323-602,
1996
459
GIS
Gismondine COMPOSITION:
Cas.ss (Sis.sA17.2032). 17.2H20 Hohenberg, Buhne, Westfalia.
CRYSTAL
P1121/a (No. a = 9.843 A 05= 90”
DATA:
REFERENCE
hkl 0 0 1 1 1 0 0 2 0 1 0 2 2 2 1 1 1 2 1 2 0 2 2 1 2 2 2 1 2 0 0 1 2 0 3 1 3 1 2 0 2 2 0 2 3 460
1 1 0 -1 1 0 2 0 1 0 2 -1 0 1 -1 1 -2 -1 2 1 2 0 -2 -2 2 -1 -2 2 1 3 1 0 2 3 0 -3 -1 3 -2 2 2 0 3 -3 0 Zeolites
0 1 1 1 1 2 0 0 2 2 1 0 1 0 2 2 1 1 1 1 2 2 0 2 0 2 1 2 2 0 3 3 1 1 1 1 1 1 2 3 2 3 2 0 2
K. F. Fischer and V. Schramm, In “Molecular Sieve Zeolites - I (ACS Adv. Chem. Ser. No. lOl)“, Flanigen, E. M., Sand, L. B., Eds. American Chemical Society: Washington, DC; pp. 250-258 (1971).
20
d
M
I rel
hkl
8.83 12.15 12.27 14.91 15.36 16.70 17.71 18.04 18.92 19.00 19.60 19.78 19.90 20.45 20.82 21.15 21.28 21.49 21.92 22.12 24.44 24.68 24.84 25.82 25.93 25.99 26.24 26.35 26.52 26.71 26.72 26.77 27.28 28.02 28.50 29.13 29.54 29.84 30.08 30.94 31.00 31.14 31.66 31.76 32.09
10.014 7.284 7.214 5.941 5.769 5.308 5.007 4.917 4.690 4.671 4.529 4.489 4.462 4.342 4.266 4.201 4.174 4.135 4.055 4.019 3.642 3.607 3.585 3.450 3.437 3.428 3.396 3.382 3.361 3.338 3.337 3.330 3.269 3.184 3.132 3.066 3.024 2.994 2.971 2.890 2.885 2.872 2.826 2.818 2.789
2 4 4 4 4 2 2 2 4 4 4 2 4 2 4 4 4 4 4 4 4 4 2 4 2 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4
5.6 69.0 23.5 8.5 21.1 3.1 16.4 76.7 0.7 14.9 1.2 6.2 10.9 3.8 100.0 39.3 28.7 5.4 24.0 6.9 4.9 3.7 4.6 2.5 0.4 10.2 1.4 3.7 4.2 0.4 19.1 18.8 1.0 86.4 69.1 1.3 5.0 13.3 0.6 0.6 0.1 2.2 1.8 4.8 2.5
2 1 2 1 2 3 2 3 1 3 0 2 3 0 I 2 0 1 2 1 3 2 4 0 0 3 4 1 4 3 4 0 1 1 2 3 3 1 2 1 2 0 4 4 1
16:323-802,
1996
14) unique axis c, cell choice 1 c = 10.616 A b = 10.023 k p = 90” y = 92.417”
-1 2 1 -3 -3 -1 3 -2 3 1 0 3 2 1 0 -2 4 -1 -3 1 -2 2 0 4 3 0 0 -4 1 -1 -1 2 4 3 0 -3 1 -2 -1 2 -4 4 -2 0 -4
3 3 3 2 1 2 0 1 2 2 4 1 1 4 4 3 0 4 2 4 2 3 0 1 3 3 1 1 0 3 1 4 1 3 4 1 3 4 4 4 0 2 0 2 2
20
d
M
I El
h
k
1
20
d
M
Ire,
32.21 32.50 32.64 32.66 32.89 33.03 33.06 33.12 33.30 33.66 33.77 34.16 34.38 34.97 35.02 35.65 35.87 36.09 36.09 36.28 36.30 36.44 36.55 36.89 37.02 37.39 37.55 37.66 38.05 38.22 38.28 38.39 38.42 38.46 38.55 38.62 38.78 39.32 39.44 39.69 39.70 39.81 40.17 40.43 40.54
2.779 2.755 2.743 2.742 2.723 2.712 2.709 2.705 2.691 2.662 2.654 2.625 2.609 2.565 2.562 2.518 2.504 2.489 2.489 2.476 2.475 2.465 2.459 2.437 2.428 2.405 2.395 2.388 2.365 2.355 2.351 2.345 2.343 2.341 2.336 2.331 2.322 2.291 2.285 2.271 2.270 2.264 2.245 2.231 2.225
4 4 4 4 4 4 2 4 4 4 2 4 4 4 4 4 2 4 4 4 4 4 2 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 2 4 2 4 4
3.6 2.8 6.7 49.6 9.1 47.6 4.5 6.2 58.4 23.3 39.1 18.2 7.5 0.3 4.2 9.9 2.5 2.9 0.4 1.0 2.5 4.7 2.3 0.2 1.9 9.3 2.6 5.6 0.9 0.2 2.8 1.1 0.2 0.4 8.9 1.4 0.1 2.5 0.1 4.9 0.7 2.8 6.5 1.1 0.1
2 4 4 3 2 1 4 4 2 2 3 2 2 0 1 3 3 0 1 1 3 1 2 1 4 1 3 0 3 4 1 4 3 0 4 2 4 5 2 3 1 3 3 1 5
-4 -2 -1 -2 4 4 2 1 3 4 2 -2 2 1 0 -2 0 4 -3 -1 -1 1 4 3 -3 -4 1 5 -4 -1 4 -3 -3 5 1 0 3 0 -3 -2 -2 3 4 5 -1
1 1 2 3 0 2 0 2 3 1 3 4 4 5 5 2 4 3 4 5 4 5 2 4 0 3 4 0 1 3 3 1 3 1 3 5 0 1 4 4 5 3 1 1 1
40.64 41.10 41.11 41.13 41.14 41.25 41.60 41.82 42.00 42.05 42.19 42.X7 -13.06 43.57 43.61 43.79 43.89 44.32 44.33 44.50 44.61 44.67 44.69 44.83 44.85 44.99 45.11 45.28 45.46 45.52 45.65 45.70 45.82 46.12 46.17 46.59 46.81 46.98 47.04 47.21 47.26 47.26 47.39 47.49 47.51
2.220 2.196 2.195 2.194 2.194 2.188 2.171 2.160 2.151 2.149 2.142 2.133 2.100 2.077 2.075 2.067 2.063 2.044 2.043 2.036 2.031 2.029 2.027 2.022 2.021 2.015 2.010 2.003 1.995 1.993 1.987 1.985 1.981 1.968 1.966 1.949 1.941 1.934 1.932 1.925 1.923 1.923 1.918 1.915 1.914
4 4 4 4 2 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 2 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4
0.6 1.2 2.7 0.4 8.6 1.1 1.5 0.9 4.5 0.9 0.6 5.8 5.9 4.7 0.3 0.2 1.1 2.1 5.9 0.4 8.4 0.2 1.4 0.4 0.4 1.7 8.0 1.7 0.6 0.6 0.3 2.7 0.7 6.2 1.2 0.2 0.2 8.1 0.3 0.3 1.4 0.5 3.8 1.2 3.2
Gismondine
Zeolites
16:323-602,
1996
461
GIS
Amicite
(Na3.6K3.76)(Si8A18032).9.86H20
COMPOSITION:
Hoewenneg, Hegau, Germany. CRYSTAL
DATA:
REFERENCE:
462
h
k
1 1 0 -1 0 2 0 1 2 -1 1 -2 -1 2 2 0 -2 1 0 3 3 -3 1 0 -1 2 -2 2 3 1 -2 3
1 0 1 0 2 0 0 2 1 2 1 1 1 2 0 2 0 3 3 0 1 0 0 1 0 2 2 3 2 3 3 1
Zeolites
1 0 1 1 1 0 0 2 1 1 1 2 1 2 0 2 2 2 0 1 1 0 1 3 3 3 2 2 1 1 2 1 2
A. Alberti and G. Vezzalini, Acta Cryst. B35, 2866.-2869 (1979).
20
d
ill
Irel
12.13 12.27 12.34 12.64 17.01 17.35 17.96 21.03 21.13 21.25 21.51 21.57 21.94 24.39 24.69 24.83 25.44 27.11 27.21 27.44 27.54 27.95 28.22 28.42 28.72 30.14 30.77 32.30 32.46 32.56 32.60 32.64
7.298 7.211 7.170 7.002 5.211 5.111 4.940 4.223 4.204 4.180 4.131 4.120 4.052 3.649 3.605 3.585 3.501 3.289 3.277 3.251 3.238 3.192 3.162 3.140 3.108 2.965 2.906 2.771 2.758 2.750 2.747 2.744
4 2 4 2 2 2 2 4 4 4 4 4 4 4 2 4 2 4 4 2 4 2 2 4 2 4 4 4 4 4 4 4
100.0 0.8 21.7 2.7 3.8 67.1 54.7 96.4 6.9 53.0 3.6 11.7 8.8 8.7 0.3 5.7 0.2 26.8 2.9 1.0 49.2 0.2 0.2 89.4 2.1 9.6 0.4 7.0 36.6 1.7 0.7 13.4
16:323-602,
1996
1121 (No. 5) unique axis b, cell choice 3 a = 10.226 A b = 10.422 A c = 9.884 A a: = 90” D = 88.315” y = 90”
hkl -1 -3 2 1 -3 -1 -2 0 0 1 3 4 3 -4 0 1 -3 -1 2 0 4 2 -4 0 3 2 3 -3 -2 -3 2 4
28 3 2 1 2 1 2 1 4 0 4 3 1 0 1 3 1 0 1 4 4 2 0 0 2 3 3 2 3 3 2 4 2
2 1 3 3 2 3 3 0 4 1 0 1 3 1 3 4 3 4 0 2 0 4 2 4 2 3 3 2 3 3 2 2
32.85 32.90 33.06 33.14 33.51 33.57 33.92 34.42 36.37 36.67 36.95 37.10 37.42 37.62 37.63 38.22 38.57 38.73 38.79 39.09 39.27 40.07 40.21 40.41 41.01 41.36 41.37 41.73 42.08 42.44 42.82 43.03
d 2.726 2.722 2.710 2.703 2.674 2.669 2.643 2.606 2.470 2.450 2.432 2.423 2.403 2.391 2.390 2.355 2.334 2.325 2.321 2.305 2.294 2.250 2.243 2.232 2.201 2.183 2.182 2.164 2.148 2.130 2.112 2.102
-41
Ire1
4 4 4 4 4 4 4 2 2 -1 4 4 2 4 4 4 2 4 4 4 4 2 2 4 4 4 4 4 4 4 4 4
11.5 85.8 5.3 58.0 21.2 7.6 2.9 39.7 7.2 1.6 0.4 10.8 0.2 0.5 4.1 4.3 0.6 7.9 0.5 7.0 3.9 6.3 5.6 1.6 1.4 1.9 0.5 2.5 0.3 0.2 12.2 0.9
hkl -2 2 -4 1 0 3 -2 4 -3 5 1 5 -4 -1 3 -5 -1 -4 0 -3 2 1 -1 5 5 -5 -5 2 1 4
219 4 2 2 5 5 4 2 3 4 0 4 1 3 4 1 0 3 1 1 1 5 5 5 2 1 2 1 1 2 4
2 4 2 0 1 1 4 1 1 1 3 0 1 3 4 1 4 3 5 4 1 2 2 1 2 1 2 5 5 0
43.29 43.83 43.95 44.35 44.42 44.57 44.74 44.76 44.90 45.02 45.09 45.20 45.21 45.42 45.56 45.58 46.17 46.44 46.79 46.88 47.92 48.11 48.32 48.46 48.48 48.99 49.53 49.76 49.92 49.99
d
M
I rel
2.090 2.066 2.060 2.042 2.039 2.033 2.026 2.025 2.018 2.014 2.011 2.006 2.006 1.997 1.991 1.990 1.966 1.955 1.941 1.938 1.898 1.891 1.883 1.878 1.878 1.859 1.840 1.832 1.827 1.824
4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4
11.4 0.2 0.2 0.7 0.3 3.0 2.0 5.3 0.4 0.7 1.6 4.9 0.8 5.3 0.9 2.3 0.8 0.2 4.9 1.9 0.4 0.2 1.2 5.3 3.6 2.2 1.4 0.4 3.9 14.0
GIS
Amicite r
II
Zeolites
16:323-602,
1996
463
GIS
Garronite
COMPOSITION:
(N~.8Ca2.82)(Silo.4A15.fi032).12.08H20 Goble, Oregon, U.S.A.
CRYSTAL
I?fm2 (No. 119) a = 9.9266 A b = 9.9266 L%
DATA:
o! = 90” REFERENCE:
464
G. Artioli, Am. Mineral.
h
k
1
28
d
M
Ire1
hkl
1 1 0 2 1 2 2 2 1 3 3 2
0 1 0 0 1 1 0 2 0 0 1 1
1 0 2 0 2 1 2 0 3 1 0 3
12.38 12.61 17.21 17.87 21.39 21.80 24.91 25.38 27.48 28.33 28.43 32.97
7.149 7.019 5.152 4.963 4.153 4.077 3.574 3.510 3.246 3.150 3.139 2.716
8 4 2 4 8 16 8 4 8 8 8 16
100.0 0.9 1.2 54.1 63.4 16.6 0.4 0.8 41.3 96.3 3.5 4.8
3 3 0 4 1 3 4 3 2 4 4 3
Zeolites
16:323-802,
1996
p = 90”
1 2 0 0 1 0 1 3 0 0 2 2
c = 10.3031 A y = 90”
77, 189-196 (1992).
2 1 4 0 4 3 1 0 4 2 0 3
20
d
AJ
Ire1
h.kl
33.43 33.70 34.83 36.20 37.18 37.75 38.40 38.47 39.41 40.34 40.65 42.06
2.681 2.660 2.576 2.482 2.418 2.383 2.344 2.340 2.286 2.236 2.220 2.148
16 16 2 4 8 8 16 4 8 8 8 16
63.2 6.0 8.3 0.7 0.3 0.3 1.0 0.5 0.2 0.7 2.2 0.6
3 2 4 1 3 4 4 5 5 2
3 2 2 0 1 1 3 0 1 1
2 4 2 5 4 3 1 1 0 5
20
d
M
Ire1
42.43 43.58 44.44 44.93 45.55 46.04 46.59 46.59 46.66 48.72
2.130 2.077 2.038 2.018 1.991 1.971 1.950 1.950 1.947 1.869
8 8 16 8 16 16 16 8 8 16
2.4 5.4 0.4 1.3 4.3 0.9 0.3 5.7 0.2 0.1
GIS
Garronite
-3
-s
-0
m
Q 5 c cu
:
J -7 -s
I
-J
-0
r
LO
Zeolites
16:323-802,
1996
466
GIS
Gobbinsite
COMPOSITION:
(Cao.GNaz.sKz.;?) (SilOA16032) .12HzO Antrim District, Northern Ireland.
CRYSTAL
Pmn21 (No. 31) a = 10.108 A b = 9.766 A u: = 90” p = 90”
DATA:
L. B. McCusker and Ch. Baerlocher, Z. Kristallogr. 171, 281-289 (1985).
REFERENCE
466
h
lc
1
20
d
AJ
I rel
h
k
0
1
0
1 0 1 1 0 2 0 0 2 0 1 1 2 1 2 0 2 1 2 0 1 0 3 3 0 1 1 3 1 2 0 3
0 1 1 1 0 0 2 1 1 2 2 1 1 2 0 2 2 2 2 3 0 1 0 1 3 3 1 1 3 2 2 2
1 1 0 1 2 0 0 2 0 1 0 2 1 1 2 2 0 2
9.05 12.35 12.57 12.60 15.33 17.44 17.55 18.17 19.68 19.78 20.17 20.20 21.57 21.64 22.02 24.84 25.29 25.36 26.80 26.86 27.40 27.75 27.85 27.89 28.01 28.79 28.81 29.25 29.38 30.15 30.94 32.14 32.28
9.766 7.170 7.044 7.023 5.779 5.086 5.054 4.883 4.511 4.489 4.402 4.397 4.119 4.107 4.036 3.585 3.522 3.512 3.326 3.319 3.255 3.214 3.203 3.198 3.185 3.100 3.099 3.053 3.039 2.964 2.890 2.785 2.773
2 4 4 4 8 2 2 2 4 4 4 4 8 8 8 4 4 4 8 8 2 4 4 4 4 4 4 8 8 8 8 4 4
2.4 51.0 72.1 6.3 8.8 5.8 29.7 21.1 1.1 0.3 6.9 4.4 100.0 14.4 14.0 1.2 4.4 0.9 17.8 4.7 1.1 54.0 4.4 82.8 1.7 84.1 6.1 3.1 6.7 7.5 3.4 2.0 0.6
0 2 2 3 1 3 1 2 0 4 0 2 3 2 1 4 0
3 3 1 1 2 2 3 3 0 0 1 2 2 3 1 1 4
2 0 3 2 3 1 2 1 4 0 4 3 2 2 4 1 1
0 3 3
3 3
3 0
1 4 3 0 0 2 2 1 1 2 4 4 2 4
3 1 1 4 2 4 0 4 2 4 2 0 1 2
1 0 3 3 1 0 1 0 3 1 1 2 3 0
Zeolites
16:323-802,
c = 10.171 A y = 90”
1996
1 3 2 4 0 4 2 4 1 0 2 4 1
1
28
d
Ai
I rcl
h
k
1
32.66 32.72 33.11 33.19 33.37 33.49 33.88 33.92 35.30 35.52 36.51 36.85 36.92 37.31 37.62 37.82 37.90 38.33 38.45 38.79 38.97 39.50 39.68 39.83 39.98 40.18 40.78 40.94 41.00 41.01 41.06 41.19 42.01
2.742 2.737 2.705 2.699 2.685 2.675 2.646 2.643 2.543 2.527 2.461 2.439 2.435 2.410 2.391 2.379 2.374 2.348 2.341 2.321 2.311 2.282 2.272 2.263 2.255 2.244 2.212 2.205 2.201 2.201 2.198 2.192 2.151
4
6.6 2.5 0.8 12.5 7.7 8.8 21.3 2.9 18.7 1.8 0.1 2.3 3.3 0.7 0.7 5.0 3.9 2.6 0.2 0.4 0.8 1.1 2.0 1.1 3.3 0.5 3.6 0.4 1.0 0.6 4.4 0.3 2.3
2 3 2 3 2 4 2 0 1 0 3 4 5 0 1 1 0 1 5 3 3 0 1 0 3 4 5 2 4 2 5 3 5
4 2 3 3 2 2 4 3 0 1 1 1 0 4 3 1 5 4 1 4 3 5 5 2 2 2 2 3 3 1 1 4 2
1 3 3 2 4 2 2 4 5 5 4 3 1 3 4 5 0 3 1 1 3 1 1 5 4 3 0 4 2 5 2 2 1
8
4 8 8 4
4 8
20
d
42.05 42.09 42.45 42.51 43.96 44.11 44.92 45.25 45.48 45.55 45.65 45.73 45.76 45.80 46.18 46.48 46.49 46.72 46.75 46.81 47.18 47.39 48.29 48.48 48.58 48.65 48.75 48.89 49.02 49.17 49.40 49.46 49.62
2.149 2.147 2.130 2.127 2.059 2.053 2.018 2.004 1.994 1.992 1.987 1.984 1.983 1.981 1.966 1.954 1.953 1.944 1.943 1.941 1.926 1.918 1.884 1.878 1.874 1.871 1.868 1.863 1.858 1.853 1.845 1.843 1.837
iv IreI 8 8 8 8 8 8 8 4 4 4 8 8 4 4 8 8 2 8 8 8 8 4 8 4 8 8 4 8 8 8 8 8 8
4.6 0.6 2.7 1.5 4.2 1.5 0.5 1.9 1.1 1.3 1.5 3.2 2.7 1.5 7.0 0.2 0.2 1.9 0.4 2.3 1.8 4.4 0.3 1.1 0.1 1.1 0.1 0.8 1.5 0.2 3.1 2.5 0.3
Gobbinsite
-3
Zeolites
16:323-802,
1996
467
GIS
Di-n-propylamine
COMPOSITION:
(A16Mg2Ps032).2NC6H16
CRYSTAL
Ill 2/b (No. 15) unique axis c, cell choice 3 a = 10.2192 A b = 10.2198 A c = 10.0126 H, 0. = 90” p = 90” y = 90.987”
DATA:
REFERENCE:
hkl 0 1 0 2 1 2 1 2 1 1 2 2 0 2 0 3 0 1 2 3 1 3 2 3 1 3
468
1 0 2 0 -2 -1 2 1 -1 1 -2 2 2 0 3 0 1 0 -3 -2 -3 -1 3 2 3 1
Zeolites
1 1 0 0 1 1 1 1 2 2 0 0 2 2 1 1 3 3 1 1 2 2 1 1 2 2
MAPO-43
J. J. Pluth, J. V. Smith and J. M. Bennett, J. Am. Chem. Sot. 111, 1692-1698 (1989).
28
d
M
I rel
h
k
1
20
d
M
Ire1
h
k
1
28
12.38 12.38 17.36 17.36 21.25 21.25 21.50 21.50 21.53 21.66 24.43 24.86 24.90 24.90 27.66 27.66 28.13 28.13 32.59 32.59 32.87 32.87 33.09 33.09 33.12 33.12
7.152 7.151 5.109 5.109 4.181 4.181 4.134 4.134 4.127 4.104 3.644 3.582 3.576 3.576 3.225 3.224 3.173 3.173 2.747 2.747 2.725 2.725 2.707 2.707 2.705 2.705
4 4 2 2 4 4 4 4 4 4 2 2 4 4 3 4 4 4 4 4 4 4 4 4 4 4
100.0 98.8 22.4 21.7 2.8 3.0 17.2 17.6 81.9 26.4 5.4 0.5 0.3 0.2 72.8 73.9 14.8 15.3 0.6 0.6 13.8 13.5 1.1 1.2 10.9 10.6
1 2 1 2 0 4 0 1 4 1 4 0 3 2 4 0 4 0 2 3 3 2 4 2 4 2
-2 -1 2 1 4 0 0 -4 -1 4 1 3 0 -4 -2 4 0 2 0 -3 3 -4 -2 4 2 -2
3 3 3 3 0 0 4 1 1 1 1 3 3 0 0 2 2 4 4 2 2 2 2 2 2 4
33.16 33.16 33.32 33.32 35.13 35.13 35.87 37.23 37.23 37.53 37.53 37.74 37.74 39.15 39.15 39.61 39.61 40.11 40.11 41.31 41.92 43.28 43.28 43.80 43.80 43.88
2.702 2.702 2.689 2.689 2.555 2.554 2.503 2.415 2.415 2.397 2.396 2.384 2.384 2.301 2.301 2.276 2.275 2.248 2.248 2.186 2.155 2.091 2.090 2.067 2.067 2.063
4 4 4 4 2 2 2 4 4 4 4 4 4 2 2 4 4 4 4 4 4 4 4 4 4 4
0.9 0.9 3.7 3.6 0.3 0.3 6.0 1.0 0.9 0.5 0.5 0.2 0.2 0.3 0.4 1.8 1.6 0.1 0.2 3.3 3.9 0.2 0.2 0.9 0.8 1.1
2 0 5 1 4 4 1 4 1 3 1 3 0 1 2 5 1 5 1 5 2 5 1 1 2
2 5 0 -4 -1 3 4 1 -3 -1 3 1 1 0 -5 -2 -5 -1 5 1 5 2 -2 2 1
4 1 1 3 3 1 3 3 4 4 4 4 5 5 1 1 2 2 2 2 1 1 5 5 5
44.14 45.29 45.29 45.46 45.47 45.67 45.72 45.72 45.76 45.76 45.95 45.95 46.19 46.19 48.55 48.55 48.81 48.81 49.11 49.11 49.15 49.15 49.65 49.77 49.77
16:323-802,
1996
d 2.052 2.002 2.002 1.995 1.995 1.987 1.985 1.985 1.983 1.983 1.975 1.975 1.965 1.965 1.875 1.875 1.866 1.866 1.855 1.855 1.854 1.854 1.836 1.832 1.832
M
Ire,
4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4
1.6 2.2 2.2 4.5 4.4 0.1 1.5 1.5 0.8 0.8 0.4 0.4 0.6 0.5 0.2 0.2 1.2 1.1 0.7 0.6 0.3 0.2 0.1 0.1 0.1
Di-n-propylamine
GIS
MAPO-43
Zeolites
16:323-802,
1996
469
GIS
Na-Pl COMPOSITION:
Nae(SilOA16032).12H20
CRYSTAL
I?t (No.
DATA:
82)
a = 10.043 A Q = 90”
REFERENCE:
hkl 1 1 0 2 1 1 2 2 2 1 3 3 2 1 1 2
470
0 1 0 0 1 2 1 0 2 0 0 1 2 2 3 1
Zeolites
1 0 2 0 2 1 1 2 0 3 1 0 2 3 2 3
d
M
I rel
12.46 12.46 17.66 17.66 21.67 21.67 21.67 25.08 25.08 28.10 28.10 28.10 30.84 33.38 33.38 33.38
7.101 7.101 5.022 5.022 4.100 4.100 4.100 3.551 3.551 3.176 3.176 3.176 2.899 2.684 2.684 2.684
8 4 2 4 8 8 8 8 4 8 8 4 8 8 8 8
92.1 1.0 2.7 60.6 66.1 7.0 13.3 0.8 1.1 34.9 100.0 1.6 9.0 7.5 12.7 3.5
1996
c = 10.043 A y = 90”
Ch. Baerlocher and W. M. Meier, Z. Kristallogr. 135, 339-354 (1972).
26’
16:323-602,
b = 10.043 A p = 90”
hkl 2 3 3 0 1 1 3 3 4 2 4 4 2 3 3 2
3 1 2 0 1 4 0 3 1 0 0 2 3 2 3 2
1 2 1 4 4 1 3 0 1 4 2 0 3 3 2 4
20
d
M
IreI
hkl
33.38 33.38 33.38 35.76 38.01 38.01 38.01 38.01 38.01 40.15 40.15 40.15 42.20 42.20 42.20 44.18
2.684 2.684 2.684 2.511 2.367 2.367 2.367 2.367 2.367 2.246 2.246 2.246 2.141 2.141 2.141 2.050
8 8 8 2 8 8 8 4 8 8 8 4 8 8 8 8
11.5 45.0 1.2 6.8 1.0 12.0 0.4 0.3 0.6 0.9 1.4 2.3 0.3 1.0 1.0 0.4
2 4 1 1 1 3 3 4 4 5 5 1 2 2 5
4 2 0 3 4 1 4 1 3 0 1 5 1 5 1
2 2 5 4 3 4 1 3 1 1 0 2 5 1 2
20
d
iv
IId
44.18 44.18 46.08 46.08 46.08 46.08 46.08 46.08 46.08 46.08 46.08 49.72 49.72 49.72 49.72
2.050 2.050 1.970 1.970 1.970 1.970 1.970 1.970 1.970 1.970 1.970 1.834 1.834 1.834 1.834
8 8 8 8 8 8 8 8 8 8 4 8 8 8 8
0.5 6.5 1.6 11.1 0.2 0.1 1.8 2.0 0.9 3.3 2.2 0.3 0.7 0.2 2.9
GIS
Na - Pl
I
-==i
Zeolites
16:3X+-802,
1996
471
GME
Gmelinite
COMPOSITION:
(Naa, Ca)4(Si16AlsO48).24&0 Nova Scotia, Canada.
CRYSTAL
P6s/mmc (No. 194) a = 13.75 A b = 13.75 A 0 = 90” p = 90”
DATA:
REFERENCE:
472
h
k
1
28
1
0
0
1 1 2 2 0 1 2 2 1 3 3 2 2 3 1 4
0 1 0 0 0 0 1 1 1 0 0 2 1 1 0 0
1 0 0 1 2 2 0 1 2 0 1 0 2 0 3 0
7.42 11.52 12.88 14.88 17.31 17.65 19.17 19.72 21.63 21.91 22.40 24.11 25.92 26.59 27.00 27.66 30.02
Zeolites
d 11.908 7.680 6.875 5.954 5.122 5.025 4.630 4.501 4.108 4.057 3.969 3.692 3.438 3.353 3.303 3.225 2.977
16:323-602,
1996
c = 10.05 A y = 120”
K. Fischer, Neues Jahrbuch fiir Mineralogie Monatshefte 1, l-13 (1966).
M
Ire,
6 12 6 6 12 2 12 12 24 12 6 12 6 24 12 12 6
100.0 18.8 2.1 0.9 12.3 25.0 5.0 6.4 23.5 0.2 1.0 0.4 2.5 0.6 0.9 8.7 13.5
hkl ‘2 4 2 3 2 3 4 4 4 3 1 3 5 4 3 4 4
0 0 2 2 1 2 1 0 1 2 1 1 0 1 3 2 2
3 1 2 0 3 1 0 2 1 2 4 3 1 2 0 0 1
28
d
Iv
IreI
hkl
30.62 31.34 31.53 32.78 33.34 34.01 34.52 35.03 35.69 37.47 38.13 38.27 38.86 39.02 39.31 40.07 41.10
2.920 2.854 2.837 2.732 2.687 2.636 2.599 2.561 2.516 2.400 2.360 2.352 2.317 2.308 2.292 2.250 2.196
12 12 12 12 24 24 12 12 24 24 12 24 12 24 6 12 24
7.2 7.4 0.2 0.1 12.4 1.0 4.1 1.1 0.5 1.2 0.3 0.6 0.7 0.4 1.0 0.2 0.8
5 5 3 3 5 3 4 4 1 5 5 4 5 2 5 4 2
0 1 0 2 1 3 2 1 0 1 0 0 2 0 2 2 1
2 0 4 3 1 2 2 3 5 2 3 4 0 5 1 3 5
20
d
Iv
Ire1
41.98 42.26 42.58 42.71 43.25 43.40 44.09 44.11 45.78 46.13 46.80 47.34 47.69 47.76 48.60 48.75 49.67
2.152 2.139 2.123 2.117 2.092 2.085 2.054 2.053 1.982 1.968 1.941 1.920 1.907 1.904 1.873 1.868 1.835
12 12 12 24 24 12 24 24 12 24 12 12 12 12 24 24 24
0.3 0.1 0.4 0.2 0.6 3.4 0.2 1.7 0.4 0.2 1.0 0.3 0.7 0.5 0.1 0.7 1.7
Gmelinite
-5:
Aii -3 -G
-5
d -mo
?,
-7
-8
-0
r
-0
Zeolites
16:323-802,
1996
473
GO0
Goosecreekite
COMPOSITION:
CRYSTAL
Caz(Si12A14032).10HzO Loudon County, Virginia,
DATA:
P1211 (No. 4) unique axis b a = 7.401 A b = 17.439 A )Y = 105.44” Q = 90”
REFERENCE:
474
h
k
1
20
d
0 1 0 1 0 -1 -1 1 0 -1 1 0 1 0 1 -1 1 1 0 -2 2 -1 1 -2 0 -1 2 -1 0 -2 2 -1 0 1 0 1 -2 2 -1 0 -1 -2 0 -2 2
2 0 0 1 1 0 1 2 2 2 3 3 0 4 1 3 2 4 4 0 0 0 3 1 0 4 1 1 1 2 2 2 2 5 5 4 3 3 3 3 5 0 6 1 1
0 0 1 0 1 1 1 0 1 1 0 1 1 0 1 1 1 0 1 1 0 2 1 1 2 1 0 2 2 1 0 2 2 0 1 1 1 0 2 2 1 2 0 2 1
10.14 12.41 12.59 13.41 13.58 15.16 15.99 16.05 16.20 18.27 19.70 19.82 19.95 20.37 20.60 21.56 22.43 23.92 24.02 24.80 24.96 25.09 25.20 25.33 25.34 25.49 25.49 25.61 25.86 26.86 27.01 27.12 27.36 28.49 28.57 28.66 29.24 29.38 29.48 29.70 29.83 30.59 30.76 31.02 31.42
8.719 7.134 7.030 6.603 6.520 5.845 5.542 5.521 5.473 4.855 4.506 4.480 4.450 4.360 4.312 4.122 3.964 3.720 3.705 3.590 3.567 3.550 3.533 3.516 3.515 3.495 3.495 3.478 3.446 3.319 3.301 3.288 3.260 3.133 3.124 3.114 3.054 3.040 3.030 3.008 2.995 2.923 2.907 2.882 2.847
Zeolites
16:323-802,
U.S.A.
c = 7.293 A y = 90”
R. C. Rouse and D. R. Peacor. Am. Mineral. 71, 1494-~1501 (1986).
A,1 2 2 2 4 4 2 4 4 4 4 4 4 2 2 4 4 4 4 4 2 2 2 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 2 4 4
1996
I rel 9.9 35.0 55.4 2.2 2.3 5.2 38.9 18.8 28.9 81.0 64.6 100.0 12.8 0.4 8.2 26.9 14.4 6.9 5.2 5.3 9.2 5.7 7.4 11.1 6.1 11.4 16.6 22.1 8.7 25.8 56.4 13.3 41.7 19.3 18.9 11.3 10.2 44.4 6.6 45.2 3.6 7.5 14.1 1.6 12.7
h k 1 -2 -2 2 -1 1 2 0 1 1 0 -2 -1 2 1 -2 2 -1 0 -3 1 -2 -1 2 -1 1 3 -3 3 1 0 0 -1 0 3 -1 -3 -3 0 -2 2 -3 -1 -2 0
1 4 2 4 4 5 2 4 2 6 6 3 6 3 3 5 5 5 5 0 6 4 0 4 1 4 0 2 1 7 7 0 2 1 2 7 0 3 2 6 6 1 6 5 6
1 2 1 2 0 2 1 1 2 2 0 1 2 1 1 2 1 0 2 2 1 1 2 3 1 3 2 0 1 0 0 1 3 3 3 0 1 2 1 3 1 0 2 2 2 2
28 31.65 32.30 32.30 32.43 32.53 32.62 32.68 32.73 32.91 33.29 33.36 34.34 34.46 34.70 34.91 35.90 36.01 36.10 36.28 36.52 36.94 37.03 37.06 37.37 37.43 37.56 37.83 38.00 38.20 38.27 38.33 38.41 38.52 38.77 39.27 39.31 39.71 39.79 39.83 39.91 40.01 40.06 40.09 40.26 40.26
d 2.827 2.771 2.771 2.761 2.753 2.745 2.740 2.736 2.722 2.692 2.686 2.611 2.602 2.585 2.570 2.502 2.494 2.488 2.476 2.460 2.433 2.428 2.426 2.407 2.403 2.394 2.378 2.368 2.356 2.352 2.348 2.343 2.337 2.322 2.294 2.292 2.270 2.266 2.263 2.259 2.253 2.251 2.249 2.240 2.240
AI
IreI
4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 2 4 4 4 2 4 4 4 4 2 4 4 4 4 2 4 4 4 4 4 4 4 4
3.1 10.0 8.3 0.5 15.0 2.9 9.0 0.2 2.9 18.1 8.7 3.8 8.9 8.9 7.5 3.1 1.6 3.5 1.9 1.5 2.7 9.4 0.6 1.2 1.4 2.4 1.8 5.6 0.3 2.2 0.3 7.4 14.3 0.6 3.1 7.0 0.4 3.3 3.5 4.6 0.2 0.7 0.4 6.5 5.2
h k -1 -2 2 1 2 3 -3 -2 0 1 0 2 -3 -1 -3 -2 3 0 2 3 1 0 -2 1 2 -2 2 1 -1 0 3 -3 1 -3 -2 -1 2 3 3 1 1 -3 0 -3 -3
3 1 5 5 1 3 2 2 8 7 3 2 4 4 3 3 4 8 3 1 0 4 6 1 6 7 7 6 7 7 2 4 2 5 4 5 4 3 5 8 3 0 5 1 2
1 3 3 1 2 2 0 2 3 0 1 3 2 1 3 2 3 0 1 2 1 3 3 2 3 1 1 0 2 2 2 1 2 3 1 3 3 2 1 0 1 3 3 3 3 3
28 40.28 40.37 40.57 40.76 40.89 41.01 41.09 41.39 41.42 41.54 41.55 41.90 42.18 42.65 42.76 43.06 43.34 43.46 43.55 43.62 43.75 43.86 43.93 44.08 44.23 44.25 44.35 44.40 44.42 44.58 44.58 45.03 45.03 45.10 45.31 45.55 45.78 46.15 46.20 46.38 46.60 46.61 46.70 46.92 47.83
d
M
IreI
2.239
4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4
3.3 2.4 1.9 2.9 4.7 1.4 1.6 0.8 1.5 3.9 1.3 0.3 5.4 2.6 1.4 2.4 1.9 0.5 0.8 1.7 0.8 0.7 2.0 0.3 4.9 0.4 1.4 1.2 0.5 2.3 2.6 0.2 1.0 1.3 0.6 0.4 3.3 1.0 2.2 0.2 1.7 0.3 0.5 3.0 0.3
2.234 2.224 2.214 2.207 2.201 2.197 2.181 2.180 2.174 2.173 2.156 2.143 2.120 2.114 2.101 2.088 2.082 2.078 2.075 2.069 2.064 2.061 2.055 2.048 2.047 2.042 2.040 2.039 2.033 2.032 2.013 2.013 2.010 2.002 1.992 1.982 1.967 1.965 1.958 1.949 1.948 1.945 1.936 1.902
Goosecreekite
Zeolites
16:323-802,
1996
475
HEU
Heulandite
COMPOSITION:
(N~.~Ks.~~Ba~.~~)(Si~~.s~A1~.~~0~~)~19.56H~O Mossyrock Dam, Washington, U.S.A.
CRYSTAL
Cl 2/m 1 (No. CL= 17.767 A Cl!= 90”
DATA:
E. Galli, G. Gottardi, H. Mayer, A. Preisinger and E. Passaglia, Acta Cryst. B39, 189-197 (1983).
REFERENCE
h 1 0 2 -1 -2 0 2 1 -2 -3 1 3 -1 0 -4 2 -3 1 4 3 -4 2 2 -2 0 -2 -3 -1 1 -5 -2 3 -4 0 -1 -4 5 -4 0 -3 2 -1 -5 3 -3
476
k 1 2 0 1 0 0 2 3 2 1 1 1 3 4 0 0 3 3 0 3 2 4 2 4 4 0 1 1 5 1 2 1 0 0 5 2 1 4 2 3 4 3 1 3 5
Zeolites
1
20
0 0 0 1 1 1 0 0 1 1 1 0 1 0 1 1 1 1 0 0 1 0 1 1 1 2 2 2 0 1 2 1 2 2 1 2 0 1 2 2 1 2 2 1 1
7.41 9.85 11.07 12.90 13.03 13.25 14.84 15.81 16.36 16.86 17.19 17.37 19.04 19.77 20.31 20.72 21.95 22.21 22.25 22.34 22.62 22.72 22.99 23.76 23.88 23.96 24.99 25.22 25.42 25.58 25.96 26.03 26.24 26.68 27.58 28.09 28.37 28.49 28.50 28.73 28.80 28.93 29.45 29.64 29.71
16:323-802,
d 11.937 8.979 7.989 6.865 6.792 6.683 5.969 5.606 5.417 5.258 5.157 5.106 4.661 4.490 4.373 4.286 4.050 4.003 3.995 3.979 3.931 3.914 3.868 3.745 3.727 3.715 3.563 3.531 3.504 3.482 3.432 3.424 3.396 3.341 3.234 3.176 3.146 3.132 3.132 3.107 3.100 3.086 3.033 3.014 3.007
M
I l-21
4 2 2 4 2 2 4 4 4 4 4 4
3.3 100.0 64.0 6.8 17.8 2.9 12.9 2.2 1.9 11.3 32.0 4.3 20.3 0.3 8.2 1.1 1.9 60.2 34.7 53.8 21.9 29.4 3.1 2.2 4.4 5.9 29.4 0.9 0.9 4.5 50.8 6.8 18.5 19.0 0.3 45.1 0.2 34.1 0.8 1.0 2.4 22.8 5.3 1.6 15.0
2
4 4
1996
12) unique axis b, cell choice 1 b = 17.958 A c = 7.431 A p = 115.93” y = 90”
hkl 0 1 4 3 1 -6 4 -2 5 -6 4 -6 -2 -5 0 -4 1 2 0 6 -6 2 -3 6 -1 1 -5 3 -7 -6 -4 5 2 -3 4 -2 -7 -1 4 3 -4 -5 -2 -6 -5
6 5 4 5 1 0 0 4 3 2 2 0 6 3 6 4 3 0 4 0 2 2 5 2 5 7 5 5 1 4 6 1 6 1 4 0 1 7 6 1 2 1 2 4 5
0 1 0 0 2 1 1 2 0 1 1 2 1 2 1 2 2 2 2 0 2 2 2 0 2 0 1 1 1 1 1 1 1 3 1 3 2 1 0 2 3 3 3 2 2
20
d
M
IreI
h
k
1
28
29.85 29.90 29.94 30.01 30.03 30.21 30.69 31.25 31.74 31.85 32.30 32.57 32.70 32.72 32.79 33.07 33.25 33.28 33.43 33.65 34.10 34.79 35.12 35.15 35.29 35.44 35.56 35.89 35.93 36.37 36.37 36.42 36.62 36.63 36.78 36.84 37.06 37.07 37.55 37.86 37.99 38.15 38.23 38.39 38.52
2.993 2.988 2.984 2.978 2.975 2.958
2 4 4 4 4 2 2 4 4 4 4 2 4 4 4 4 4 2 4 2 4 3 4 4 4 4 4 4 4 4 3 4 4 4 4 2 4 4 4 4 4 4 4 4 4
4.1 41.6 2.2 27.8 12.7 4.5 2.3 0.5 43.6 14.0 0.7 1.5 10.6 1.6 12.8 0.5 7.7 0.5 3.2 1.3 0.1 9.4 1.4 4.8 2.8 1.7 6.7 2.5 2.1 3.2 3.9 2.4 11.3 2.3 10.4 3.9 5.6 0.3 1.3 0.9 1.5 1.1 1.7 0.7 0.1
-2 -7 -3 1 3 2 5 6 -3 -7 -6 -4 0 0 0 3 -6 -1 6 2 -2 4 7 -2 -7 6 -6 -3 -1 4 -5 1 3 5 -7 -6 2 5 8 -4 0 3 6 1 -8
6 3 7 7 7 4 3 4 3 3 0 6 8 6 0 3 2 3 0 8 4 0 3 8 1 2 6 7 7 6 7 1 7 5 5 4 6 7 0 8 4 5 6 9 0
2 1 1 1 0 2 1 0 3 2 3 2 0 2 3 2 3 3 1 0 3 2 0 1 3 1 1 2 2 1 1 3 1 1 2 3 2 0 0 1 3 2 0 0 3
38.63 38.72 38.73 38.89 38.97 39.01 39.18 39.34 39.37 39.78 39.82 40.16 40.17 40.46 40.49 40.53 41.12 41.25 41.64 41.80 42.16 42.17 42.38 42.41 42.85 42.89 42.99 43.16 43.30 43.34 43.52 43.70 43.81 44.26 44.80 44.84 45.31 45.33 45.41 45.42 45.45 45.48 45.60 45.83 45.88
2.913 2.862 2.819 2.810 2.771 2.749 2.739 2.737 2.732 2.708 2.694 2.692 2.681 2.663 2.629 2.579 2.555 2.553 2.543 2.533 2.525 2.502 2.499 2.470 2.470 2.467 2.454 2.453 2.444 2.439 2.426 2.425 2.395 2.377 2.368 2.359 2.354 2.345 2.337
d 2.331 2.326 2.325 2.316 2.311 2.309 2.299 2.290 2.288 2.266 2.264 2.245 2.245 2.229 2.228 2.226 2.195 2.189 2.169 2.161 2.143 2.143 2.133 2.131 2.110 2.109 2.104 2.096 2.089 2.088 2.079 2.071 2.067 2.046 2.023 2.022 2.002 2.001 1.997 1.997 1.996 1.994 1.989 1.980 1.978
M
4 4 4 4 4 4 4 4 4 4 2 4 2 4 2 4 4 4 2 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 2
Ire1
0.3 0.3 0.5 0.4 0.1 1.3 1.3 0.3 1.1 0.1 0.2 1.0 0.9 0.2 1.4 0.2 2.0 2.6 0.1 0.4 1.9 0.8 2.4 0.8 0.6 5.9 2.6 2.2 0.2 1.3 0.7 2.6 3.9 1.4 5.2 4.7 0.1 0.3 0.2 0.2 0.1 0.7 0.5 1.1 0.1
HEU
Heulandite
Zeolites
l&323-802,
1996
477
HEU
Clinoptilolite
COMPOSITION:
(Nal.84K1.76Mgo.2Cal.24)(~i29.84A16.16072)~21.36~2~ Agoura, California, U.S.A.
CRYSTAL
Cl 2/m. 1 (No. 12) unique axis b, cell choice 1 a = 17.662 A b = 17.911 A c = 7.407 A a = 90” /‘3= 116.40” y = 90”
DATA:
REFERENCE:
h
k
1 0 2 -1 -2 0 2 1 -2 0 -3 1 3 -1 -4 1 4 3 -4 2 2 -2 0 -2 4 -3 -1 1 -5 -2 -4 3 0 -4 -4 5 0 -3 2 -1 -5 -5 -3 3 0
478
1 2 0 1 0 0 2 3 2 2 1 1 1 3 0 3 0 3 2 4 2 4 4 0 2 1 1 5 1 2 0 1 0 2 4 1 2 3 4 3 3 1 5 3 6
1
28
0 0 0 1 1 1 0 0 1 1 1 1 0 1 1 1 0 0 1 0 1 1 1 2 0 2 2 0 1 2 2 1 2 2 1 0 2 2 1 2 1 2 1 1 0
7.46 9.88 11.19 12.94 13.06 13.35 14.94 15.87 16.40 16.63 16.91 17.36 17.53 19.10 20.40 22.36 22.48 22.49 22.71 22.82 23.21 23.81 23.98 24.04 24.61 25.05 25.35 25.49 25.72 26.04 26.29 26.32 26.88 28.15 28.60 28.65 28.70 28.80 29.00 29.07 29.39 29.51 29.79 29.92 29.93
Zeolites
d 11.857 8.956 7.910 6.843 6.780 6.635 5.929 5.586 5.405 5.331 5.243 5.110 5.059 4.648 4.354 3.976 3.955 3.952 3.915 3.897 3.832 3.736 3.712 3.702 3.618 3.555 3.513 3.494 3.464 3.421 3.390 3.386 3.317 3.170 3.121 3.116 3.111 3.100 3.078 3.072 3.039 3.027 2.999 2.986 2.985
16:323-802,
1996
K. Koyama and Y. Takeuchi, Z. Kristallogr. 145, 216-239 (1977).
n/I
I rel
4 2 2 4 2 2 4 4 4
4.7 100.0 40.0 1.4 14.5 7.0 6.3 1.9 0.6 1.6 15.8 24.8 6.0 15.6 5.6 49.2 18.1 37.2 21.0 24.4 4.9 3.1 1.5 6.8 0.3 14.7 0.6 1.0 5.0 32.1 13.6 2.8 9.6 27.2 13.8 0.2 0.5 2.7 1.0 14.0 0.7 2.8 9.5 1.3 2.0
4 2 4 4 4 4 4 4 2 4 4
2 4 4 4 4 4 4 4 4 4 4 4 2
hkl 1 4 3 1 -6 4 -2 5 -6 4 -6 -2 -5 0 1 2 0 6 -6 2 -3 -1 6 1 -5 3 -7 -4 -6 -4 -3 2 5 -2 4 -1 -7 4 5 -4 -5 3 -2 -6 -2
5 4 5 1 0 0 4 3 2 2 0 6 3 6 3 0 4 0 2 2 5 5 2 7 5 5 1 6 4 0 1 6 1 0 4 7 1 6 5 2 1 1 2 4 6
1 0 0 2 1 1 2 0 1 1 2 1 2 1 2 2 2 0 2 2 2 2 0 0 1 1 1 1 1 3 3 1 1 3 1 1 2 0 0 3 3 2 3 2 2
20
d
30.05 30.15 30.16 30.30 30.41 31.05 31.35 32.01 32.04 32.66 32.66 32.78 32.79 32.90 33.51 33.62 33.62 34.00 34.20 35.13 35.21 35.44 35.49 35.54 35.71 36.16 36.19 36.49 36.57 36.69 36.76 36.82 36.85 37.02 37.11 37.18 37.20 37.76 37.94 38.09 38.22 38.27 38.41 38.50 38.75
2.973 2.964 2.963 2.950 2.940 2.880 2.853 2.796 2.793 2.742 2.742 2.732 2.731 2.722 2.674 2.665 2.665 2.637 2.621 2.555 2.549 2.533 2.529 2.526 2.514 2.484 2.482 2.462 2.457 2.449 2.445 2.441 2.439 2.428 2.422 2.418 2.417 2.383 2.371 2.362 2.355 2.352 2.343 2.338 2.324
IL1 4 1 2 2 4 4 2 4
4 4 2
4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4
I4
h
k
26.4 0.4 17.8 11.2 2.7 1.9 0.1 23.1 8.7 0.6 0.8 9.7 0.4 4.9 4.0 1.0 1.2 0.3 0.2 4.1 0.7 2.3 2.9 1.8 3.2 2.0 0.9 1.3 2.4 0.4 0.2 6.2 1.3 3.6 5.7 0.2 4.1 1.5 0.2 2.0 0.6 1.1 1.9 0.4 0.5
-3 -7 1 3 2 5 6 -6 -7 7 -4 0 0 3 -6 -8 -1 2 6 -2 -2 0 4 7 -7 -6 -3 6 4 -5 3 1 -7 -3 5 -6 -7 -7 -4 3 8 6 1 -5 -8
7 3 7 7 4 3 4 0 3 1 6 8 0 3 2 0 3 8 0 4 8 8 0 3 1 6 7 2 6 7 7 1 5 5 5 4 5 3 8 5 0 6 9 7 4
1 1 1 1 0 2 1 0 3 2 0 2 0 3 2 3 1 3 0 1 3 1 1 2 0 3 1 2 1 1 1 1 3 1 3 1 3 2 3 1 2 0 0 0 2 1
28
d
38.84 38.97 39.05 39.13 39.34 39.59 39.67 39.89 39.92 40.22 40.25 40.28 40.80 40.93 41.20 41.44 41.49 41.94 42.13 42.34 42.52 42.62 42.66 42.78 42.94 43.19 43.27 43.38 43.67 43.69 44.07 44.08 44.10 44.58 44.66 44.93 44.96 45.38 45.56 45.88 45.89 45.92 45.96 46.18 46.34
2.319 2.311 2.307 2.302 2.290 2.276 2.272 2.260 2.258 2.242 2.240 2.239 2.212 2.205 2.191 2.179 2.176 2.154 2.145 2.134 2.126 2.121 2.120 2.114 2.106 2.095 2.091 2.086 2.073 2.072 2.055 2.054 2.054 2.032 2.029 2.017 2.016 1.998 1.991 1.978 1.977 1.976 1.975 1.966 1.959
A‘!! Ire1 4 4 4 4 4 4 4 2 4 4 4 2 2 4 4 2 4 4 2 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4
0.8 0.2 0.2 0.2 0.6 0.4 1.2 0.7 0.4 0.1 0.3 0.1 1.1 0.3 2.1 0.2 1.5 0.4 0.3 2.1 0.5 0.2 0.8 1.9 0.4 1.3 1.4 3.4 2.3 0.2 1.5 0.9 0.1 0.2 1.0 2.7 2.3 0.4 0.1 0.2 0.4 0.8 0.9 0.6 2.6
HEU
Clinoptilolite
J -
-0
r
-3 -0
Zeolites
16:323-802,
1996
479
JBW
Nepheline
COMPOSITION:
Nas(SiyAly012).H:,O
CRYSTAL
Pm21 (No. 26) a = 7.503 A h = 8.233 a& cl = 90” p = 90”
DATA:
REFERENCE:
hkl 0 1 1 0 0 1 1 2 0 1 2 2 0
480
1 0 0 0 1 0 1 1 2 0 1 1 2 0 1 0 2 1 2 1 1 1 2 0 3 0
hydrate
c = 5.230 B, y = 90”
A. Rheinhardt, E. Hellner and H. Ahsbahs, Fortsch. der Mineralogie 60, 1755176 (1982)
28
d
M
Id
h
k
1
26
d
M
IreI
hkl
10.75 11.79 15.98 20.11 21.59 23.38 24.67 26.10 27.58 30.08 31.29 32.28 32.63
8.233 7.503 5.546 4.415 4.116 3.805 3.609 3.414 3.235 2.970 2.859 2.773 2.744
2 2 4 4 2 8 4 4 4 8 8 4 2
100.0 41.0 7.4 63.3 5.0 3.9 0.2 81.7 14.4 30.8 13.9 1.1 6.2
0 1 3 0 1 2 0 3 1 1 2 0 3
0 3 0 1 0 2 3 1 1 3 3 2 1
2 0 0 2 2 1 1 0 2 1 0 2 1
34.29 34.81 35.91 36.04 36.38 36.68 36.99 37.59 38.04 38.96 40.74 40.88 41.50
2.615 2.577 2.501 2.492 2.469 2.450 2.430 2.393 2.365 2.312 2.215 2.207 2.176
2 4 2 4 4 8 4 4 8 8 4 4 8
23.4 0.1 0.3 1.4 0.2 39.1 15.3 1.7 1.4 3.2 0.3 3.3 2.2
2 3 1 2 0 2 3 0 2 0 4 1 4
Zeolites
16:323-602,
1996
0 2 2 1 4 3 2 4 2 3 0 4 1
2 0 2 2 0 1 1 1 2 2 0 1 0
28
d
M
IreI
42.12 42.28 42.70 43.60 43.99 44.42 45.86 47.47 47.81 48.06 48.53 49.09 49.86
2.145 2.137 2.118 2.076 2.058 2.040 1.979 1.915 1.902 1.893 1.876 1.856 1.829
4 4 8 8 2 8 8 4 8 4 2 8 4
1.1 0.2 2.0 5.2 4.4 0.2 4.3 0.8 0.7 6.9 10.4 0.3 0.2
Nepheline
hydrate
Zeolites
16:323-802,
1996
481
KFI
Dehydrated
(Csg.7K13)(Si73.2A122.s0192)
CRYSTAL
Im%rz (No. 229) a = 18.b71 A ‘b = 18.671 A cl! = 90” p = 90”
28
1
1
0
2 2 2 3 2 3 4 3 4 4 3 4 4 5 5 4 4 5 4 6 5 6
0 1 2 1 2 2 0 3 1 2 3 2 3 1 2 4 3 3 4 0 3 1
0 1 0 0 2 1 0 0 1 0 2 2 1 0 1 0 3 0 2 0 2 1
482
6.69 9.47 11.61 13.41 15.00 16.45 17.77 19.01 20.18 20.18 21.28 22.33 23.34 24.31 24.31 26.14 27.01 27.86 27.86 28.69 28.69 29.49 29.49
Zeolites
ZK5
COMPOSITION: DATA:
REFERENCE:
hkl
(Cs,K)
d 13.202 9.335 7.622 6.601 5.904 5.390 4.990 4.668 4.401 4.401 4.175 3.981 3.811 3.662 3.662 3.409 3.301 3.202 3.202 3.112 3.112 3.029 3.029
16:323-802,
c = 18.671 A y = 90”
J. B. Parise, R. D. Shannon, E. Prince and D. E. Cox, Z. Kristallogr. 165, 175-190 (1983)
M
I l-21
hkl
12 6 24 12 24 8 48 6 12 24 24 24 24 48 24 48 12 24 24 24 6 48 24
60.6 78.9 16.8 28.8 100.0 0.2 6.3 1.3 0.5 20.6 27.2 1.0 29.5 1.9 4.9 45.1 1.5 15.5 23.1 0.1 4.1 7.2 4.4
6 5 6 4 5 5 7 6 5 6 6 7 6 7 5 7 8 6
1996
2 4 2 4 4 5 1 4 5 3 4 3 5 3 5 4 1 4
8
2
6 6 8 7
5 6 2 4
0 1 2 4 3 0 0 0 2 3 2 0 1 2 4 1 1 4 0 3 0 2 3
20
d
M
Ire,
30.27 31.04 31.79 33.24 33.95 33.95 33.95 34.64 35.32 35.32 35.99 36.65 37.94 37.94 39.20 39.20 39.20 39.81 39.81 40.42 41.02 41.02 41.61
2.952 2.881 2.815 2.695 2.641 2.641 2.641 2.589 2.541 2.541 2.495 2.452 2.371 2.371 2.298 2.298 2.298 2.264 2.264 2.232 2.200 2.200 2.171
24 48 24 8 48 12 24 24 24 24 48 24 48 48 24 48 24 24 24 48 12 24 48
18.9 4.1 30.9 0.9 8.0 6.2 0.2 0.3 10.1 24.1 0.2 0.1 0.1 3.0 3.6 0.4 6.2 1.8 0.3 0.6 9.2 2.5 1.8
hkl 7 6 7 8 8 9 6 7 9 7 8 9 7 8 7 8 8 10 7 10 8 10
20 5 6 5 4 3 1 5 6 2 5 5 3 6 4 7 5 6 0 7 1 6 2
0 2 2 0 3 0 5 1 1 4 1 0 3 4 0 3 0 0 2 1 2 0
41.61 42.19 42.77 43.34 43.91 43.91 45.03 45.03 45.03 46.12 46.12 46.12 47.19 37.73 48.25 48.25 48.77 48.77 49.29 49.29 49.80 49.80
d 2.171 2.142 2.114 2.088 2.062 2.062 2.013 2.013 2.013 1.968 1.968 1.968 1.926 1.906 1.886 1.886 1.867 1.867 1.849 1.849 1.831 1.831
M
rre1
24 24 48 24 24 24 24 48 48 48 48 24 48 24 12 48 23 6 24 24 48 24
0.2 0.7 1.1 0.1 0.3 2.6 0.3 0.1 0.6 0.2 3.3 1.1 8.9 0.5 2.8 5.2 0.2 4.5 0.5 0.2 5.8 0.8
Dehydrated
(Cs,K)
KFI
ZK5
-5
A e
-0
-0
Zeolites
16:323-802,
1996
463
LAU
Laumontite
COMPOSITION:
Ca4(SiIsAls048).18H20 Nasik, India.
CRYSTAL
Cl 2/m 1 (No. 12) unique axis b, cell choice 1
DATA:
a = 14.8538
a
a = 90” REFERENCE
hkl
28
1 0
1 0
0 1
2 0 -1 -2 1 0 2 -2 -3 3 2 1 -1 -2 -4 -1 2 0 1 -3 0 3 -2 -3 -4 3 0 1 4 -4 2 -2 -5 -1 2
0 2 1 0 1 2 2 2 1 1 0 3 3 0 0 1 2 0 3 1 4 1 2 3 2 3 2 1 2 0 4 4 1 3 0
0 0 1 1 1 1 0 1 1 0 1 0 1 2 1 2 1 2 1 2 0 1 2 1 1 0 2 2 0 2 0 1 1 2 2
484
9.24 12.52 12.71 13.45 13.68 14.42 17.28 18.41 18.54 19.77 20.05 20.28 20.78 21.22 23.54 23.94 24.25 24.67 24.83 25.18 25.83 26.72 27.08 27.24 27.56 27.80 27.83 27.97 28.65 28.93 29.01 29.08 30.02 30.81 30.89 31.36 32.12
Zeolites
c = 7.5421 A y = 90”
G. Artioli and K. St&hl, Zeolites 13, 249-255 (1993).
d
M
I rel
h
k
9.570 7.073 6.965 6.585 6.474 6.142 5.132 4.819 4.785 4.491 4.428 4.379 4.275 4.187 3.780 3.717 3.670 3.609 3.586 3.536 3.449 3.337 3.292 3.274 3.237 3.209 3.206 3.190 3.116 3.086 3.078 3.071 2.976 2.902 2.894 2.852 2.787
4 2 2 2 4 2 4 4 4 4 4 4 2 4 4 2 2 4 4 2 4 4 2 4 4 4 4 4 4 4 4 2 4 4 4 4 2
100.0
-4 4 5 -3 3 -5 2 1 1 2 4 -2 -1 -2 -5 -4 -3 -1 0 3 4 1 -4 0 5 -2 6 -5 3 -4 -4 -6 0 6 1 -3 -1
2 0 1 3 3 1 4 5 3 2 2 0 5 4 3 4 1 1 4 1 4 5 0 0 3 2 0 3 5 4 2 2 6 2 1 3 5
16:323-602,
b = 13.1695 A /3 = 110.323”
1996
1.7 44.3 0.2 4.1 7.4 14.4 0.1 11.4 9.6 0.7 1.3 10.7 34.4 1.6 0.8 29.6 0.4 15.4 52.2 8.4 26.3 20.6 2.6 1.5 26.6 1.0 5.7 2.0 26.0 11.4 2.4 2.4 0.4 22.4 0.2 4.6
1 2 1 0 2 1 2 1 0 2 2 1 3 1 2 1 1 3 3 2 2 0 1 3 3 0 3 0 2 0 2 3 2 0 0 3 3 2
28
d
M
I rel
h
k
32.16 32.36 32.86 33.03 33.46 34.03 34.38 34.66 34.88 34.96 35.19 35.72 36.18 36.46 36.55 36.67 36.91 37.03 37.32 37.56 37.60 37.78 37.94 38.17 38.26 38.32 38.79 39.29 39.33 40.15 40.42 40.75 41.12 41.23 41.58 41.86 41.90
2.783 2.766 2.725 2.712 2.678 2.635 2.609 2.588 2.572 2.566 2.550 2.514 2.483 2.465 2.458 2.451 2.435 2.428 2.410 2.394 2.392 2.381 2.372 2.358 2.352 2.349 2.321 2.293 2.291 2.246 2.231 2.214 2.195 2.189 2.172 2.158 2.156
4 2
15.2 0.3 0.5 0.8 0.6 0.2 14.9 0.3 4.9 4.0 0.2 4.5 2.4 4.4 3.1 14.3 1.2 0.2 0.3 0.2 4.5 2.5 2.1 0.3 0.4 3.8 0.2 1.2 2.1 0.8 0.3 6.5 7.3 8.6 0.2 4.0 4.8
-1 4 2 4 0 2 -3 5 -6 -7 4 2 1 6 -2 -5 -6 -5 1 7 -6 2 2 6 5 -7 -2 -5 -2 5 -7 -3 0 -4 -7 -8 3
3 0 4 4 6 6 5 3 0 1 2 0 5 0 4 3 4 5 3 1 2 6 2 2 5 3 6 5 0 1 3 1 6 0 1 0 1
2 4 4 4 4 4 4 4 4 4 4 2 2 4 4 2
4 4
1 3 2 2 1 1 0 2 1 3 2 2 3 2 1 3 3 1 1 3 0 3 1 3 1 0 1 2 2 4 2 2 4 2 4 3 1 3
28
d
A4
IreI
41.97 42.28 42.50 42.69 43.15 43.22 43.22 43.99 44.24 44.34 44.56 44.65 44.70 45.14 45.39 45.81 45.87 46.08 46.12 46.13 46.44 46.51 46.85 47.31 47.51 47.70 48.14 48.37 48.52 48.61 48.67 48.82 48.83 49.01 49.07 49.37 49.55
2.153 2.138 2.127 2.118 2.096 2.093 2.093 2.058 2.047 2.043 2.033 2.029 2.027 2.009 1.998 1.981 1.978 1.970 1.968 1.967 1.955 1.953 1.939 1.921 1.914 1.907 1.890 1.882 1.876 1.873 1.871 1.865 1.865 1.858 1.856 1.846 1.840
4 2 4 4 4 4 4 4 2 4 4 2 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 2 4 2 4
2.8 0.2 0.2 3.3 0.6 0.2 0.8 0.6 0.5 1.6 3.5 2.4 2.0 1.0 0.6 0.6 0.6 5.6 0.8 0.2 0.2 1.0 1.7 0.6 0.4 0.9 1.8 0.6 0.7 1.1 0.5 4.5 4.8 0.6 3.8 0.5 1.9
LAU
Laumontite
Zeolites
16:323-602,
1996
485
LAU
Leon hardite
COMPOSITION:
(K 0.1 N a0 30 C a3.6O)(Si16.4OA17.60048).25.2H20 Teigahorn, BerufjGrdur, Iceland.
CRYSTAL
Cl 2/m 1 (No. 12) unique axis b, cell choice 1 a = 14.690 a b = 13.061 A c = 7.574 A a: = 90” p = 112.01° y = 90”
DATA:
REFERENCE:
h
k
1
28
1 2 0 -1 -2 1 0 2 -2 -3 3 2 13 -1 -2 -4 -1 2 0 4 131 -3 0 -2 -3 3 3 0 -4 1 4 2 -5 -1 -4 2 -3 4
1 0 2 1 0 1 2 2 2 1 10 0
0 0 0 1 1 1 1 0 1 1
9.38 13.00 13.56 13.63 14.33 17.60 18.55 18.83 19.78 20.08 20.71 21.31 21.43 23.64 23.76 24.41 24.66 25.34 25.37 26.17 26.17 26.51 27.31 27.46 27.94 27.96 28.40 28.87 28.89 29.36 29.59 30.36 31.21 31.45 32.04 32.79 32.96 33.27
486
3 0 0 1 2 0 0 1 4 2 3 11 3 2 0 1 2 4 1 3 2 0 3 0
1 0 1 2 1 2 1 2 0 2 0 2 1 0 2 2 2 0 0 1 2 2 2 2 1
Zeolites
G. Artioli, J. V. Smith and A. Kvick, Zeolites 9, 377-391 (1989).
d
Al
I rel
h
9.427 6.810 6.531 6.496 6.181 5.040 4.782 4.713 4.489 4.422 4.288 4.170 4.147 3.764 3.744 3.647 3.611 3.514 3.511 3.405 3.405 3.362 3.265 3.248 3.194 3.192 3.142 3.092 3.091 3.042 3.019 2.944 2.866 2.844 2.794 2.731 2.718 2.693
4 2 2 4 2 4 4 4
100.0 53.7 1.4 1.2 17.7 15.5 0.7 11.4 30.3 1.7 1.8 25.3 57.3 5.3 0.9 35.6 1.3 20.4 77.0 1.3 15.2 28.2 29.7 0.9 16.2 1.3 12.7 2.6 3.9 16.9 16.5 1.5 20.0 0.8 18.4 0.8 0.6 0.2
5 -5 3 2 1 1 -2 2 4 -1 -2 -3 -5 -4 -1 -4 0 4 151 -2 3 5 -5 6 3 -4 -4 -6 -5 0 0 -3 -1 1 -I 6 2 -3
16:323-802,
2 4 4 2 4
1996
k
1
10 1 3 4 5 3 0 2 2 5 4 1 3 4 1 0 4 4
2 1 1 0 2 3 2 1 1 2 3 1 1 3 3 2 0
2 1 3 3 0 5 2 4 2 1 2 6 3 3 1 5 2 4 5
3 2 0 2 0 0 3 2 2 3 3 0 3 3 3 2 0 2 2
28
d
AJ
IreI
33.61 33.95 34.15 34.90 34.97 35.33 35.58 35.63 36.08 36.43 36.51 36.65 36.91 36.95 37.10 37.60 37.62 38.19 38.19 38.24 38.46 39.00 39.30 39.71 39.81 40.14 40.17 40.82 40.92 40.96 41.48 41.71 42.11 42.12 42.13 42.15 43.18 43.31
2.666 2.641 2.626 2.571 2.565 2.540 2.523 2.520 2.490 2.466 2.461 2.452 2.435 2.433 2.423 2.392 2.391 2.357 2.357 2.354 2.341 2.309 2.292 2.270 2.264 2.246 2.245 2.211 2.205 2.203 2.177 2.165 2.146 2.1115 2.145 2.144 2.095 2.089
4 4 4 3 4 4 2 4 4 4 4 4 4 4 3 2 4 4 4 4 4 4 4 2 4 4 4 4 4 4 2 4 4 4 4 4 4 4
0.2 3.5 3.0 15.7 0.6 5.7 6.2 10.7 0.5 2.6 5.6 0.6 2.7 19.6 0.2 1.9 1.4 5.0 4.7 3.9 0.5 0.8 0.5 1.6 6.0 0.3 0.5 11.0 0.1 0.6 5.9 8.3 0.5 1.2 3.5 10.1 1.1 3.0
h k 3 4 0 4 2 -6 -2 3 -7 5 1 -2 2 -5 4 -6 4 6 -5 1 -4 2 2 0 5 -7 -2 -5 -3 6 -4 -4 6 -7 -7 0 170 5
1
3 0 6 4 6 0 6 5 1 3 5 4 0 3 2 2 4 0 5 3 4 6 2 4 5 3 6 5 1 2 0 6 4 1 3 6
2 2 1 1 0 3 1 1 2 1 2 3 3 3 2 3 1 1 1 3 3 1 3 3 0 1 2 2 4 1 4 1 0 3 2 2
1
2
28 43.34 43.40 43.53 43.56 43.65 43.94 44.10 44.27 44.52 45.06 45.22 45.43 45.35 45.58 45.68 46.20 45.10 46.42 46.52 46.69 47.09 47.09 47.65 47.81 48.27 48.36 48.37 48.52 48.59 48.59 48.64 48.72 48.86 48.87 48.91 49.25 49.29 49.96
d 2.088 2.085 2.079 2.078 2.074 2.060 2.053 2.046 2.035 2.012 2.005 1.997 1.996 1.990 1.986 1.965 3.957 1.956 1.952 1.946 1.930 1.930 1.908 1.902 1.885 1.882 1.882 1.876 1.874 1.874 1.872 1.869 1.864 1.863 1.862 1.850 1.849 1.825
M
I rel
4 2
1.7 2.0 0.2 0.4 1.1 2.8 0.3 0.1 2.4 0.1 0.8 0.6 4.1 0.3 3.8 0.7 3.3 3.6 7.4 3.5 0.1 0.8 3.3 0.1 1.6 0.9 3.2 0.5 6.0 0.3 0.5 0.6 0.6 3.4 0.2 11.5 0.4 35 1.u
4 2
4 4 2 3
2 4 4 4
4 4 4 4 2 4 4 4 4 4 4 4
LAU
Leonhardite
J ?
Zeolites
16:323-802,
1996
487
LAU
Cobalt
COMPOSITION:
(CosGal6Pg4096).8C5H6N
CRYSTAL
Cl 2/c 1 (No. 15) unique axis b, cell choice 1 a = 15.058 A b = 13.197 A c = 15.273 A a = 90” p = 112.20” y = 90”
DATA:
A. M. Chippindale and R. I. Walton, J. Chem. Sot., Chem. Commun., 2453-2454 (1994).
REFERENCE:
hkl 1 1 2 0 -1 -2 1 -2 2 -1 -3 -2 -3 3 2 2 1 -1 -3 -2 1 1 0 3 -2 -4 -1 2 0 4 1 -3 -1 -3 0 -2 -4 -3 0 3 -4 0 4 1 -3
488
1 1 0 2 1 0 1 2 2 1 1 2 1 1 0 2 3 3 1 2 3 1 2 1 0 0 1 2 0 0 3 1 3 3 4 2 2 3 4 3 0 2 2 1 3
0 1 0 0 2 2 2 1 0 3 1 2 2 0 2 1 0 1 3 3 1 3 3 1 4 2 4 2 4 0 2 4 3 1 0 4 1 2 1 0 4 4 0 4 3
20
d
9.23 12.43 12.70 13.42 13.49 14.07 17.41 17.93 18.51 18.70 18.94 19.49 19.66 20.26 21.01 21.06 21.18 21.40 22.23 22.77 22.79 23.09 23.19 23.29 23.53 23.82 24.47 25.01 25.19 25.56 25.90 26.14 26.79 26.97 27.03 27.18 27.48 27.49 27.77 27.93 28.36 28.65 28.97 29.10 29.42
9.584 7.121 6.971 6.598 6.562 6.293 5.093 4.946 4.792 4.746 4.686 4.554 4.515 4.383 4.229 4.218 4.195 4.153 3.998 3.906 3.903 3.852 3.836 3.820 3.782 3.736 3.638 3.560 3.535 3.485 3.440 3.409 3.327 3.306 3.299 3.281 3.245 3.245 3.213 3.195 3.147 3.116 3.082 3.068 3.036
Zeolites
gallophosphate
16:323-602,
A4
I rel
4 4 2 2
100.0 0.7 5.6 4.5 5.1 17.2 15.1 0.3 0.7 0.3 0.2 26.6 5.1 3.9 12.6 3.0 45.4 2.4 2.2 4.4 1.2 0.7 1.4 3.8 0.9 29.2 0.4 16.1 62.9 0.3 1.8 10.5 0.3 0.3 23.7 2.8 0.4 4.0 3.1 9.6 1.6 1.7 7.0 7.8 0.4
2
2 4
2 2 4 4 2 2 4 4 4 4 2
1996
hkl 0 2 1 3 -5 -3 -5 -1 -4 2 4 2 3 5 0 -5 3 2 0 -1 1 -4 2 -2 1 5 -6 -1 -2 -5 -1 -3 -4 -5 -4 -3 -5 -5 -4 0 -4 -6 1 3 -2
4 4 3 3 1 1 1 3 2 4 2 0 1 1 4 1 3 4 2 5 3 2 2 0 5 1 0 5 4 3 3 1 4 1 4 3 3 3 0 4 4 0 5 3 2
2 0 3 1 2 5 1 4 4 1 1 4 3 0 3 4 2 2 5 1 4 5 4 6 1 1 2 2 4 2 5 6 2 5 1 5 1 3 6 4 3 4 2 3 6
28
d
M
I rel
29.88 29.96 30.08 30.24 30.45 30.92 31.00 31.18 31.50 31.65 31.71 32.44 32.47 32.83 33.14 33.25 33.65 34.48 34.50 34.73 35.00 35.18 35.25 35.29 35.63 35.75 35.83 36.04 36.13 36.15 36.23 36.28 36.33 36.33 36.37 36.56 36.63 36.82 37.11 37.28 37.43 37.43 37.78 37.90 37.91
2.990 2.982 2.971 2.955 2.936 2.892 2.884 2.869 2.840 2.827 2.821 2.760 2.757 2.728 2.703 2.695 2.663 2.601 2.599 2.583 2.564 2.551 2.546 2.543 2.520 2.512 2.506 2.492 2.486 2.485 2.479 2.476 2.473 2.473 2.470 2.458 2.453 2.441 2.423 2.412 2.403 2.403 2.381 2.374 2.373
4 4 4 4 4 4 4 4 4 4 4 2 4 4 3 4 4 4 4 4 4 4 4 2 4 4 2 4 4 4 4 4 4 4 4 4 4 4 2 4 4 2 4 4 4
0.5 2.6 0.2 0.9 28.1 0.1 0.5 1.4 4.6 0.1 0.3 1.0 0.1 0.2 0.2 0.4 0.3 15.5 0.7 0.3 9.2 0.3 0.4 6.0 0.4 0.9 1.6 1.8 0.8 5.8 1.8 1.4 8.2 1.1 1.2 0.1 0.5 0.1 4.1 0.5 0.2 0.4 5.1 0.3 2.4
hkl 3 5 -1 -5 6 -3 5 -4 4 -6 4 -2 -5 1 3 0 6 -3 0 -1 -1 1 -3 0 -4 4 -3 3 -7 -2 4 -6 2 -1 -2 3 3 -2 -7 6 5 2 1 -5 -5
1 3 5 3 0 5 1 4 4 2 2 4 1 3 5 6 2 3 6 5 3 1 1 4 4 0 5 3 1 6 4 0 6 1 6 5 1 2 1 2 3 6 5 1 3
4 0 3 4 0 2 2 4 1 4 3 5 6 5 1 0 0 6 1 4 6 6 7 5 5 4 4 4 2 1 2 6 0 7 2 2 5 7 1 1 2 1 4 7 6
20
d
iv
IreI
37.97 38.21 38.42 38.58 38.75 38.93 39.56 39.58 39.75 39.93 39.94 40.24 40.27 40.44 41.00 41.03 41.19 41.27 41.55 41.72 41.77 41.78 42.05 42.08 42.65 42.76 42.78 42.80 42.82 42.86 42.88 43.12 43.13 43.31 43.59 43.68 43.85 43.88 43.99 44.00 44.24 44.37 44.77 44.89 44.90
2.370 2.355 2.343 2.334 2.324 2.313 2.278 2.277 2.267 2.258 2.257 2.241 2.239 2.230 2.201 2.200 2.192 2.187 2.173 2.165 2.162 2.162 2.149 2.147 2.120 2.114 2.113 2.113 2.112 2.110 2.109 2.098 2.098 2.089 2.076 2.072 2.065 2.063 2.058 2.058 2.047 2.041 2.024 2.019 2.019
4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4
1.0 0.3 0.1 0.4 0.3 0.8 2.0 2.1 0.1 1.9 0.7 0.3 3.7 0.2 1.0 1.0 1.3 1.7 0.4 1.4 0.9 0.4 0.3 1.3 0.4 2.4 5.5 1.6 0.8 0.7 0.2 0.2 0.6 0.4 1.5 1.2 0.4 0.6 0.5 0.6 0.1 0.1 0.1 0.2 0.7
Cobalt
LAU
gallophosphate
Zeolites
l&323-602,
1996
469
LEV
Levyne
COMPOSITION:
(Cas,lsNal,gsKo,s)(Si35A119010s).50H~O Nurri. Nuoro, Sardinia, Italy.
CRYSTAL
R3m (No. 166) hexagonal setting a = 13.338 A b = 13.338 A c = 23.014 A Q = 90” p = 90” y = 120”
DATA:
REFERENCE:
hkl
28
1
0
1
0 0 1 0 2 1 2 0 1 0 3 0 2 2 0 3 2 1 1 1 1 3 2 4 0
1 0 1 2 0 1 1 1 2 2 0 0 0 1 3 0 2 1 3 2 0 1 2 0 2
2 3 0 1 2 3 1 5 2 4 0 6 5 4 3 3 0 6 1 5 7 2 3 1 7
490
8.56 10.85 11.53 13.28 15.82 17.18 17.62 20.71 20.77 21.77 21.80 23.10 23.19 24.73 25.61 25.89 25.89 26.73 26.81 28.12 28.17 28.22 28.93 29.20 31.22 31.31
Zeolites
S. Merlino, Tschermaks
d 10.324 8.152 7.671 6.669 5.602 5.162 5.033 4.289 4.276 4.082 4.076 3.850 3.836 3.599 3.478 3.441 3.441 3.335 3.325 3.173 3.168 3.162 3.086 3.058 2.865 2.857
16:323-602,
E. Galli and A. Alberti, Mineral. Petrogr. Mitt.
hk 6 6 2 6 6 6 12 12 6 12 6 6 2 6 12 6 6 6 12 12 12 6 12 12 6 6
1996
73.2 83.0 41.1 13.2 0.2 36.4 5.1 4.0 41.6 100.0 6.3 23.1 8.9 6.9 20.7 1.9 4.9 11.4 3.3 0.2 26.8 23.4 15.6 0.1 10.4 11.1
0 1 0 3 3 2 2 0 4 2 0 3 1 1 4 0 2 1 1 3 2 4 4 0 0 3
128 4 3 3 0 1 1 3 0 1 2 4 2 2 4 1 5 3 3 0 3 4 0 2 5 2 3
2 4 6 6 5 7 2 9 0 6 5 4 8 3 3 1 5 7 10 0 1 7 2 4 10 3
31.95 31.97 32.96 32.96 34.10 34.14 34.74 35.09 35.62 35.68 36.74 37.36 37.44 37.56 37.56 39.19 39.23 39.26 39.94 40.58 41.55 41.62 42.13 42.15 42.27 42.33
d 2.801 2.799 2.717 2.717 2.630 2.626 2.582 2.557 2.521 2.516 2.446 2.407 2.402 2.39.5 2.395 2.299 2.297 2.295 2.257 2.223 2.173 2.170 2.145 2.144 2.138 2.135
22, 117-129
hil
Ire,
hk
6 12 6 6 12 12 12 2 12 1% 6 12 12 12 12 6 12 12 6 6 12 6 12 6 6 12
68.3 0.8 2.6 2.5 7.6 33.9 5.3 1.4 17.0 1.0 3.2 4.0 5.0 1.7 7.0 0.6 1.8 4.5 2.0 8.4 1.2 0.3 1.1 2.1 3.5 3.8
0 3 1 4 5 5 3 1 2 0 2 4 2 5 2 6 3 0 0 1 3 1 0 6 5 1
(1975).
128 3 0 4 1 1 0 2 5 4 4 1 2 0 1 3 0 3 0 5 2 4 3 6 0 2 1
9 9 6 6 1 5 7 2 4 8 10 5 11 4 8 0 6 12 7 11 2 10 3 3 0 12
42.43 42.43 42.93 42.93 43.81 43.85 43.88 44.37 44.38 44.45 44.50 46.01 36.15 46.53 46.60 47.21 47.26 47.40 48.14 48.23 48.59 48.72 48.77 48.77 49.26 49.45
d
hJ
Ire1
2.130 2.130 2.107 2.107 2.066 2.065 2.063 2.042 2.041 2.038 2.036 1.972 1.967 1.952 1.949 1.925 1.923 1.918 1.890 1.887 1.874 1.869 1.867 1.867 1.850 1.843
6 6 12 12 12 6 12 12 12 6 12 12 6 12 12 6 12 2 6 12 12 12 6 6 12 12
3.2 0.9 0.9 1.1 1.5 2.0 2.5 0.6 1.6 0.2 0.9 0.9 1.4 3.6 2.5 0.3 0.2 3.3 4.4 0.3 1.2 2.5 0.1 0.3 2.2 2.4
LEV
Levyne
feolites
16:323-802,
1996
491
LEV
l-aminoadamantane
COMPOSITION:
(Si540108).6CloH15NH2
CRYSTAL
RZm (No. 166) hexagonal setting a = 13.2251 A b = 13.2251 A c = 22.2916 h; Ly = 90” p = 90” y = 120°
DATA:
REFERENCE:
hkl 1 0
1
0 0 1 0 2 1 1 2 0 1 0 3 0 2 2 0 2 1 1 1 1 3 4 0
2 3 0 1 2 4 3 1 5 2 4 0 6 5 4 3 0 6 1 5 7 2 1 7
492
1 0 1 2 0 0 1 1 1 2 2 0 0 0 1 3 2 1 3 2 0 1 0 2
20 8.68 11.08 11.91 13.39 15.98 17.41 17.70 17.96 20.90 21.39 22.03 22.26 23.30 23.95 25.32 26.06 26.24 26.97 27.54 28.38 28.74 29.10 29.23 31.50 32.16
Zeolites
NU-3
L. B. McCusker, Mat. Sci. Forum Vol. 133-136, 423-434 (1993). and L. B. McCusker, private communication (1995).
d
fif
IreI
hk
10.187 7.988 7.430 6.613 5.547 5.094 5.011 4.940 4.249 4.155 4.035 3.994 3.818 3.715 3.518 3.419 3.396 3.306 3.239 3.145 3.106 3.068 3.055 2.840 2.783
6 6 2 6 6 6 6 12 12 6 12 6 6 2 6 12 6 6 12 12 12 6 12 6 6
17.6 54.6 0.5 27.1 4.9 66.4 7.0 13.6 14.5 55.2 100.0 0.4 12.3 4.6 5.5 1.2 0.7 22.9 1.5 3.8 26.0 29.5 9.1 1.1 4.7
0 1 0 0 3 3 2 2 4 2 4 0 2 3 4 1 1 0 3 1 4 4 0 3 0
16:323-602,
1996
128 4 3 1 3 2 1 1 3 0 0 1 0 2 2 1 2 1 5 3 0 0 2 5 3 3
2 4 8 6 1 5 7 2 4 8 0 9 6 4 3 8 9 1 0 10 7 2 4 3 9
32.28 32.44 33.09 33.66 34.37 34.67 34.98 35.09 35.24 35.84 35.93 36.27 36.37 37.85 37.98 38.42 38.82 39.55 40.94 41.26 42.45 42.55 42.68 42.79 43.56
d
iv
IreI
h,k
2.773 2.760 2.707 2.663 2.609 2.587 2.565 2.557 2.547 2.506 2.499 2.477 2.470 2.377 2.369 2.343 2.319 2.279 2.204 2.188 2.129 2.125 2.119 2.113 2.078
6 12 6 6 12 12 12 12 6 6 12 2 12 12 12 12 12 6 6 6 6 12 6 12 6
49.9 1.8 1.0 0.5 0.3 1.4 8.2 1.5 2.2 0.1 3.6 0.1 0.7 0.5 0.7 0.3 0.2 4.5 1.1 0.6 3.1 0.1 3.3 2.8 3.5
3 0 1 5 5 3 1 2 0 2 2 4 5 2 2 6 3 1 0 0 3 0 5
126’ 0 2 4 1 0 2 5 4 4 2 1 2 1 3 0 0 3 5 5 0 4 6 2
9 10 6 1 5 7 2 4 8 9 10 5 4 8 11 0 6 5 7 12 2 3 0
43.56 43.57 43.65 44.22 44.46 44.71 44.80 44.93 45.42 45.77 45.78 46.65 47.09 47.56 47.60 47.64 47.99 48.75 48.98 49.04 49.07 49.29 49.71
d 2.078 2.077 2.074 2.048 2.037 2.027 2.023 2.018 1.997 1.982 1.982 1.947 1.930 1.912 1.910 1.909 1.896 1.868 1.860 I.858 1.857 1.849 1.834
AJ
Irei
6 6 12 12 6 12 12 12 6 12 12 12 12 12 6 6 12 12 6 2 12 6 12
1.2 0.7 0.2 0.1 0.8 0.7 0.4 0.6 1.0 0.3 0.5 0.5 0.8 0.2 0.4 1.5 0.5 1.1 8.4 6.6 2.8 0.5 6.5
1-aminoadamantane
LEV
NU-3
h e
Zeolites
I&323-802,
1996
493
LIO
Liottite
COMPOSITION:
Si36072
CRYSTAL
PGm2 (No. 187) a = 12.26077 A h = 12.26077 A c = 15.67058 A p = 90” y = 120” Q = 90”
DATA:
REFERENCE:
hkl
20
1
0
0
1 1 1 2 2 1 2 2 2 2 1 2 3 3 2 2 2 1
0 0 1 0 0 0 0 1 1 0 0 1 0 0 1 0 2 0
1 2 0 0 1 3 2 0 1 3 4 2 0 2 3 4 0 5
494
8.33 10.06 14.05 14.45 16.70 17.64 18.93 20.20 22.15 22.87 23.90 24.21 24.93 25.16 27.65 28.04 28.31 29.13 29.72
Zeolites
SiO, framework
d 10.618 8.790 6.305 6.130 5.309 5.028 4.687 4.395 4.013 3.888 3.724 3.675 3.572 3.539 3.226 3.182 3.152 3.065 3.006
16:323-802,
S. Merlin0 and P. Orlandi, Am. Mineral. 62, 321 (1977). And J. M. Newsam, private communication (1990).
Aff
Ire1
6 12 12 6 6 12 12 12 12 24 12 12 24 6 12 24 12 6 12
27.0 37.9 16.7 100.0 2.9 6.0 56.7 3.8 4.6 7.7 20.9 4.0 6.2 21.9 0.1 24.1 1.5 9.0 1.7
1996
hkl 3 3 2 3 2 4 4 0 3 1 4 2 1 4 4 4 4 1 2
20 1 1 1 1 0 0 0 0 1 0 0 1 1 0 1 1 0 0 1
0 1 4 2 5 0 1 6 3 6 2 5 6 3 1 2 4 7 6
30.35 30.89 31.92 32.48 33.19 33.76 34.26 34.33 34.98 35.39 35.71 36.37 37.43 38.02 39.31 40.60 41.07 41.21 41.24
d
iv
IreI
hkl
2.945 2.894 2.803 2.757 2.699 2.654 2.617 2.612 2.565 2.536 2.514 2.470 2.403 2.367 2.292 2.222 2.198 2.191 2.189
12 24 24 24 12 6 12 2 24 12 12 24 12 12 24 24 12 12 24
0.2 1.0 1.8 1.3 0.7 4.7 5.0 6.9 5.8 0.8 3.1 0.9 0.3 7.6 0.1 0.2 1.2 0.7 1.2
5 4 5 3 3 3 4 4 5 2 1 3 5 5 4 5 4 5
0 1 0 0 2 3 0 1 0 1 0 2 1 1 2 0 0 1
0 3 1 6 4 0 5 4 3 7 8 5 0 1 3 4 6 2
20
d
iv
IreI
42.57 42.69 42.98 43.04 43.76 44.33 44.74 45.48 46.14 46.35 47.18 47.26 47.69 48.06 48.60 48.78 48.92 49.17
2.124 2.118 2.104 2.101 2.069 2.044 2.026 1.994 1.967 1.955 1.926 1.923 1.907 1.893 1.873 1.867 1.862 1.853
6 24 12 12 24 6 12 24 12 24 12 24 12 24 24 12 12 24
0.4 0.5 0.3 4.2 0.1 3.6 1.1 0.3 0.4 1.2 0.3 0.1 0.5 0.7 0.5 0.2 1.4 0.6
Liottite
SiO, framework
Zeolites
16:323-602,
1996
495
LOS
Losod COMPOSITION:
Nalz(SilzAl1:!048).l8H2O Synthetic material.
CRYSTAL
P6smc (No. 186) a = 12.906 A b = 12.906 A cy = 90” p = 90”
DATA:
REFERENCE:
hlcl 1 1 1 2 0 2 1 2 1 2 2 3 3 1 2 2 3 3 2 3 4
496
0 0 0 1 1 0 0 0 0 2 0 1 0 2 1 0 1 2 1 1 0 2 0 0 0 1 0 3 1 2 2 0 1 0 0 2 0 3 1 1 0 0
P. A. Schicker, Ph.D. Thesis No. 8494, ETH
28
d
iv
Ire1
h
k
7.91 11.54 13.72 15.86 16.82 17.97 18.61 21.03 21.77 22.68 23.20 23.88 25.35 26.59 27.05 27.65 28.80 29.36 30.04 30.05 32.03
11.177 7.669 6.453 5.589 5.270 4.938 4.767 4.224 4.082 3.921 3.834 3.726 3.513 3.352 3.296 3.226 3.100 3.042 2.975 2.974 2.794
6 12 6 6 2 12 12 12 12 24 12 6 12 12 24 6 12 12 12 24 6
10.8 42.4 100.0 3.6 0.1 5.4 71.4 6.8 2.7 52.2 8.2 65.0 5.1 9.8 81.8 3.9 6.9 0.7 0.9 15.5 11.5
2 2 4 3 0 1 3 3 3 4 1 4 2 3 3 2 5 4 4 5 3
2 2 1 3 0 1 1 2 0 4 0 4 2 0 0 3 2 1 0 2 1 4 1 0 0 4 1 3 2 2 1 4 0 0 1 2 0 3 0 1 0 4
Zeolites
16:323-602,
1996
1
c = 10.541 A y = 120”
Zurich
(1988).
28
d
A4
Ire1
h
k
1
20
d
M
Ire1
32.54 33.16 33.17 33.54 34.02 34.98 34.99 35.11 36.05 36.39 36.84 36.85 37.74 38.74 39.06 40.34 40.35 40.76 41.28 41.28 41.99
2.752 2.701 2.701 2.672 2.635 2.565 2.564 2.556 2.492 2.469 2.440 2.439 2.383 2.325 2.306 2,236 2.235 2.214 2.187 2.187 2.151
12 24 12 24 2 12 12 12 24 12 12 12 12 24 24 24 6 24 12 12 12
1.9 13.7 47.4 26.1 34.7 0.9 0.3 4.4 1.0 19.1 2.0 1.7 0.5 0.2 6.0 1.0 0.1 0.7 6.7 1.0 13.0
3 1 3 4 5 2 3 3 2 5 4 4 2 5 5 3 4 3 6
3 0 2 2 0 2 1 3 0 1 2 0 1 0 1 2 3 0 0
0 5 3 1 2 4 4 2 5 1 2 4 5 3 2 4 0 5 1
42.00 43.69 43.70 43.71 44.00 44.38 45.16 45.55 46.01 46.02 46.31 47.42 48.24 48.25 48.53 49.60 49.61 49.69 49.70
2.151 2.072 2.071 2.071 2.058 2.041 2.008 1.992 1.972 1.972 1.961 1.917 1.886 1.886 1.876 1.838 1.837 1.835 1.834
6 12 24 24 12 12 24 12 12 24 24 12 24 12 24 24 12 12 12
12.9 0.3 2.9 0.7 5.3 0.1 0.8 0.9 0.3 3.3 1.5 3.3 4.5 0.1 3.4 0.2 0.3 1.1 1.4
LOS
Losod
3 3
Zeolites
16:323-802,
1996
497
LOV
Lovdarite
COMPOSITION:
CRYSTAL
(Nal2K4)(Si28Be8072).18H20 Mt. Karnasurt, Lovezero
DATA:
Pma2 (No. 28) a = 39.576 A b = 6.9308 A Q = 90” p = 90” S. Merlino. Eur. J. Mineral.
REFERENCE:
hkl 2 4 0 0 1 2 6 2 3 4 4 5 0 8 1 6 2 6 3 4 7 5 8 8 10 7 9 0 2 8 0 10 1 10 2 4 3 12 9 4 11 0 5 1 6 498
0 0 0 0 0 1 1 0 1 0 0 1 0 0 1 0 1 0 0 1 1 0 1 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 0 1 1 0 1 1 0 0 0 1 1 1 0 0 2 0 2 1 1 2 0 0 1 2 0 1 0 2 0 0 2 2 0 0 0 1 1 2 0 1 0 1 2 2 0 1 2 0 2
28
d
M
I Id
4.47 8.94 12.37 12.77 12.97 13.16 13.42 13.54 14.44 15.29 15.61 17.00 17.82 17.93 17.96 18.30 18.38 18.57 19.06 19.97 20.27 21.08 21.84 22.08 22.46 23.82 23.97 24.90 25.31 25.38 25.71 25.73 25.81 25.92 26.10 26.50 26.59 27.04 27.06 27.27 27.94 28.08 28.11 28.17 28.39
19.788 9.894 7.153 6.931 6.827 6.727 6.596 6.541 6.136 5.797 5.677 5.214 4.977 4.947 4.939 4.849 4.827 4.778 4.657 4.446 4.381 3.214 4.069 4.027 3.958 3.736 3.713 3.576 3.519 3.509 3.465 3.463 3.452 3.437 3.413 3.363 3.352 3.298 3.296 3.271 3.193 3.178 3.174 3.168 3.144
2 2 2 2 4 4 2 4 4 4 4 4 4 2 8 4 8 4 8 8 4 8 4 4 2 8 4 2 4 8 2 4 4 4 4 4 4 2 8 4 4 4 4 8 4
0.2 33.1 19.3 0.1 1.2 58.9 3.3 50.8 10.0 60.8 3.3 1.1 100.0 10.6 6.1 4.2 0.2 3.0 1.0 5.3 2.7 0.9 4.5 0.3 0.7 2.4 4.5 0.4 21.2 10.9 5.6 25.4 2.6 16.3 14.4 15.6 4.0 82.3 4.7 5.1 44.4 29.2 3.1 0.6 49.7
Zeolites
16:323-802,
1996
Pluton,
hkl 2 0 1 10 3 2 6 3 4 12 4 7 5 11 5 8 6 8 14 6 13 7 12 7 8 10 8 14 14 10 13 9 9 11 0 1 10 16 2 15 14 10 3 12 4
1 2 2 1 1 2 2 2 1 0 2 2 1 1 2 0 1 2 0 2 1 1 1 2 1 0 2 0 1 2 1 1 2 2 2 2 1 0 2 1 1 2 2 0 2
2 1 1 1 2 1 0 1 2 1 1 0 2 1 1 2 2 0 0 1 0 2 1 1 2 2 1 1 0 0 1 2 1 0 2 2 2 0 2 0 1 1 2 2 2
2, 809-817
Russia.
c = 7.1526 .h y = 90”
(1990).
28
d
M
Ire1
h
k
1
20
d
M
I rrl
28.44 28.62 28.71 28.82 28.90 28.98 29.11 29.43 29.52 29.83 30.04 30.25 30.30 30.66 30.82 30.85 31.24 31.52 31.65 31.74 32.11 32.31 32.57 32.80 33.51 33.78 33.98 34.10 34.26 34.40 34.5-l 34.83 35.28 35.98 36.09 36.16 36.25 36.32 36.38 36.44 36.55 36.69 36.75 37.08 37.25
3.138 3.119 3.109 3.098 3.090 3.081 3.068 3.035 3.026 2.995 2.974 2.955 2.949 2.916 2.901 2.898 2.863 2.838 2.827 2.819 2.787 2.770 2.749 2.731 2.674 2.653 2.638 2.629 2.618 2.607 2.597 2.576 2.544 2.496 2.489 2.484 2.478 2.474 2.469 2.466 2.458 2.450 2.446 2.424 2.413
8 4 8 8 8 8 4 8 8 4 8 4 8 8 8 4 8 4 2 8 4 8 8 8 8 4 8 4 4 4 8 8 8 4 4 8 8 2 8 4 8 8 8 4 8
78.9 26.4 16.0 7.4 0.4 57.0 34.7 19.1 10.9 9.5 6.5 15.3 3.7 -1.7 21.3 0.7 10.6 0.1 1.9 2.9 0.1 0.7 27.9 3.1 32.4 3.0 5.0 7.1 0.5 7.8 0.4 0.8 9.2 0.2 12.9 0.3 17.6 7.3 2.2 7.0 5.2 5.3 2.2 2.8 0.5
12 0 11 5 2 11 16 15 16 6 4 0 1 2 12 13 7 3 12 0 1 4 6 2 8 3 5 14 16 17 18 13 0 4 1 14 2 6 13 3 5 8 4 7 6
2 0 1 2 0 2 0 1 1 2 0 3 3 3 1 2 2 3 2 1 1 3 0 1 2 1 3 0 1 1 0 1 3 1 3 2 3 3 2 3 1 0 3 3 1
0 3 2 2 3 1 1 1 0 2 3 0 0 0 2 0 2 0 1 3 3 0 3 3 2 3 0 2 1 0 0 2 1 3 1 0 1 0 1 1 3 3 1 0 3
37.65 37.73 37.77 37.90 38.01 38.19 38.51 38.62 38.65 38.67 38.85 38.99 39.05 39.26 39.37 39.40 :39.56 39.60 39.78 39.99 40.06 40.08 40.22 40.26 40.58 40.59 40.68 40.68 40.73 40.89 41.05 41.06 41.06 41.06 41.12 41.21 41.32 41.41 41.45 41.65 41.65 42.07 42.10 42.26 42.37
2.389 2.384 2.382 2.374 2.367 2.357 2.338 2.331 2.330 2.328 2.318 2.310 2.306 2.295 2.288 2.287 2.278 2.276 2.266 2.2Fj5 2.251 2.250 2.242 2.240 2.223 2.222 2.218 2.218 2.215 2.207 2.199 2.198 2.198 2.198 2.195 2.191 2.185 2.180 2.179 2.169 2.168 2.148 2.146 2.139 2.133
4 2 8 8 4 8 4 8 4 8 4 2 4 4 8 4 8 4 8 4 8 4 4 8 8 8 4 4 8 4 2 8 4 8 8 4 8 4 8 8 8 4 8 4 8
2.2 2.3 5.0 4.1 5.1 2.5 3.9 2.5 0.4 0.7 1.8 0.8 0.1 5.1 23.1 6.9 0.1 7.4 3.6 2.6 2.0 5.7 0.7 1.0 2.8 2.0 0.4 2.2 1.7 4.0 0.2 3.3 3.1 8.9 1.0 2.1 0.3 0.3 1.9 1.0 1.9 0.1 6.0 0.4 4.2
LOV
Lovdarite
<:
Zeolites
16:323-802,
1996
499
LTA
Hydrated
COMPOSITION:
Nass(Si96A1960384).216H20
CRYSTAL
FmSc (No. 226) b = 24.61 Bi a = 24.61 A
DATA:
REFERENCE:
2 2 2 4 4 4 4 5 4 6 6 6 4 6 6 8 6 8
500
0 2 2 0 2 2 4 31 4 0 2 2 4 4 4 0 4 2
0 0 2 0 0 2 0 2 0 0 2 4 0 2 0 4 0
20
d
M
Ire,
12.305 8.701 7.104 6.153 5.503 5.024 4.350 4.160 4.102 4.102 3.891 3.710 3.552 3.413 3.289 3.076 2.984 2.984
6 12 8 6 24 24 12 48 24 6 24 24 8 24 48 6 24 24
100.0 51.3 31.8 0.5 20.3 2.4 3.6 2.1 22.8 10.6 1.2 44.3 0.7 10.1 41.0 0.4 19.7 19.9
16:323-602,
1996
ii
V. Gramlich and W. M. Meier, Z. Kristallogr. 133, 134-149 (1971).
7.18 10.17 12.46 14.40 16.11 17.65 20.41 21.36 21.67 21.67 22.85 23.99 25.07 26.11 27.11 29.03 29.94 29.94
teolites
c = 24.61 y = 90"
p = 90"
a: = 90"
hkl
Linde Type A
hkl 6 8 6 8 8 6 9 8 8 10 10 6 10 8 10 10 8 10
6 2 6 4 4 6 3 4 6 0 2 6 2 6 4 4 8 4
0 2 2 0 2 4 1 4 0 0 0 6 2 4 0 2 0 4
29
d
M
Irrl
30.83 30.83 31.70 32.54 33.37 34.18 34.77 35.75 36.51 36.51 37.26 38.00 38.00 39.43 39.43 40.14 41.51 42.19
2.900 2.900 2.823 2.752 2.685 2.623 2.580 2.512 2.461 2.461 2.413 2.368 2.368 2.285 2.285 2.247 2.175 2.142
12 24 24 24 48 24 48 24 24 6 24 8 24 48 24 48 12 24
2.3 5.4 0.2 9.3 3.0 27.1 0.1 4.7 0.4 4.1 0.1 1.4 1.6 1.0 0.3 2.2 4.3 3.4
h k 8 10 10 8 12 12 12 12 8 10 12 10 10 12 10 12
6 6 6 8 0 2 2 4 8 8 4 8 6 4 8 6
1 6 0 2 4 0 0 2 0 6 0 2 2 6 4 4 0
26, 42.85 42.85 43.51 44.16 44.16 44.80 45.44 46.69 47.30 47.30 47.30 47.91 48.51 49.11 49.70 49.70
d
M
IreI
2.110 2.110 2.080 2.051 2.051 2.023 1.996 1.946 1.922 1.922 1.922 1.899 1.877 1.855 1.834 1.834
24 24 48 24 6 24 24 24 24 24 48 48 24 24 48 24
2.3 1.2 1.8 0.9 7.8 0.5 0.1 0.2 4.2 2.3 0.3 5.1 0.3 0.9 1.8 0.9
Hydrated
Linde Type
A
J --I
Zeolites
16:323-602,
1996
501
LTA
Dehydrated
COMPOSITION:
Nag1,7(Sig6A1960384)
CRYSTAL
FmSc (No. 226) a = 24.555 A b = 24.555 A p zz 90” a = 90”
DATA:
REFERENCE:
hkl 2 2 2 4 4 4 5 4 6 6 6 4 6 6
502
0 2 2 2 2 4 3 4 0 2 2 4 4 4
0 0 2 0 2 0 1 2 0 0 2 4 0 2
d
Al
IreI
7.20 10.19 12.49 16.14 17.69 20.46 21.41 21.72 21.72 22.91 24.04 25.13 26.17 27.18
12.278 8.681 7.088 5.491 5.012 4.341 4.151 4.093 4.093 3.882 3.702 3.544 3.405 3.281
6 12 8 24 24 12 48 24 6 24 24 8 24 48
100.0 49.6 22.4 20.1 1.9 3.0 0.8 8.4 1.3 0.1 13.7 0.3 0.6 9.0
16:323-802,
c = 24.555 w y = 90”
J. J. Pluth and J. V. Smith, J. Am. Chem. Sot. 102, 470444708
28
Zeolites
Linde Type A
1996
hkl 6 8 6 8 8 8 6 8 10 6 10 8 10 10
4 2 6 2 4 4 6 4 0 6 2 6 4 4
4 0 0 2 0 2 4 4 0 6 2 4 0 2
28
d
hl
IreI
30.01 30.01 30.90 30.90 32.62 33.45 34.26 35.83 36.59 38.08 38.08 39.53 39.53 40.23
2.978 2.978 2.894 2.894 2.745 2.679 2.618 2.506 2.455 2.363 2.363 2.280 2.280 2.242
24 24 12 24 2-l 48 24 24 6 8 24 48 24 48
4.6 6.4 0.6 1.2 1.4 1.0 8.4 0.8 3.0 1.3 0.2 0.2 0.1 0.5
(1980).
h,kl 8 10 8 10 10 8 12 12 12 8 10 10 10
8 4 6 6 6 8 0 2 4 '3 8 8 8
0 4 6 0 2 4 0 0 0 6 0 2 4
28
d
-u
IreI
41.61 42.29 42.95 42.95 43.61 44.26 44.26 44.91 46.80 47.41 47.41 48.02 49.82
2.170 2.137 2.106 2.106 2.075 2.046 2.046 2.018 1.941 1.917 1.917 1.894 1.830
12 24 24 24 48 24 6 24 2-l 24 24 48 .1x
1.3 1.3 1.0 0.5 0.9 0.5 2.2 0.1 0.2 1.2 0.6 1.8 0.4
Dehydrated
LTA
Linde Type A
Zeolites
16:323802.
1996
503
LTL
Perlialite
COMPOSITION:
Klz(Si24A112072).20HzO Murun Massif, Russia.
CRYSTAL
PG/mmm (No. a = 18.5432 A CY= 90”
DATA:
REFERENCE:
h
k
10 1 1 2 0 0 0 1 0 2 1 2 0 3 0 2 1 2 2 3 1 3 0 4 0 2 2 3 1 0 0 3 2 1 0 4 0 4 1 1 1 3 2 5 0 2 1 4 1 3 0 4 2 2 2 5 1
504
1 0 0 0 1 1 0 1 0 1 0 0 1 0 1 1 2 0 2 1 0 2 1 0 2 1 2 0 2 0
Zeolites
20 5.50 9.54 11.02 11.75 12.98 14.59 16.14 16.56 18.78 19.14 19.93 20.35 22.14 22.52 23.20 23.63 24.16 24.28 25.14 25.42 25.53 26.94 27.78 27.88 28.08 28.99 29.43 30.59 31.00
d 16.059 9.272 8.029 7.531 6.819 6.070 5.493 5.353 4.726 4.636 4.454 4.363 4.015 3.948 3.834 3.766 3.684 3.666 3.543 3.504 3.489 3.309 3.212 3.200 3.177 3.080 3.035 2.923 2.884
16:323-802.1996
191) b = 18.5432 A /3 = 90”
c = 7.5310 .J! y = 120”
G. Artioli and A. Kvick: Eur. J. Mineral. 2, 749-759 (1990).
A,1 6 6 6 2 12 12 12 6 24 6 12 12 6 12 24 2 12 12 12 12 12 24 6 24 24 12 12 12 12
1 rel
h
k
1
20
d
100.0 3.5 3.3 0.4 0.6 3.9 2.9 19.9 1.6 13.3 1.8 11.3 2.5 48.7 12.2 4.8 3.2 4.1 0.9 1.4 19.9 3.4 16.8 6.0 3.5 31.7 5.1 6.6 3.0
3 3 4 4 5 6 3 4 6 0 4 1 6 5 5 I 2 3 4 6 2 4 5 7 5 3 6 4 2
1 3 2 0 1 0 2 1 0 0 3 0 1 0 2 1 0 3 2 1 1 4 3 0 1 0 2 4 2
2 1 1 2 1 0 2 2 1 3 1 3 0 2 1 3 3 2 2 1 3 0 0 0 2 3 0 1 3
31.10 31.28 31.79 32.60 33.26 33.48 34.04 34.98 35.60 35.77 36.05 36.22 36.70 36.78 36.94 37.10 37.54 37.65 38.08 38.66 38.82 38.85 39.27 39.27 39.35 39.65 40.51 40.73 40.88
2.876 2.859 2.815 2.746 2.693 2.676 2.633 2.565 2.522 2.510 2.491 2.480 2.449 2.444 2.433 2.423 2.396 2.389 2.363 2.329 2.320 2.318 2.294 2.294 2.290 2.273 2.227 2.215 2.207
T
hf
24 12 24 12 24 6 24 24 12 2 24 12 12 12 24 12 12 12 24 24 24 6 12 6 24 12 12 12 12
IreI
0.1 11.8 5.0 4.9 2.6 24.7 10.9 4.7 5.2 0.3 10.7 0.7 0.2 2.8 5.7 0.4 0.7 5.8 0.3 0.5 0.4 0.9 2.1 2.2 0.7 5.2 0.3 8.3 6.7
hk120 7 3 6 4 6 5 5 6 7 4 6 8 5 5 7 6 3 8 4 7 5 0 1 5 7 1 6
0 1 0 3 2 2 4 1 I 1 3 0 0 3 0 3 3 0 2 2 1 0 0 5 1 1 4
1 3 2 2 1 2 0 2 1 3 0 0 3 2 2 1 3 1 3 1 3 4 4 0 2 4 0
41.13 41.28 41.39 41.79 42.32 42.57 44.04 44.11 44.25 44.39 44.79 45.17 45.88 46.34 46.34 46.47 46.61 46.84 46.97 47.91 48.05 48.34 48.69 49.13 49.20 49.39 49.48
d
M
Ire1
2.195 2.187 2.182 2.162 2.136 2.124 2.056 2.053 2.047 2.041 2.023 2.007 1.978 1.959 1.959 1.954 1.949 1.940 1.934 1.898 1.894 1.883 1.870 1.854 1.852 1.845 1.842
12 24 12 24 24 24 12 24 24 24 12 6 12 24 12 24 12 12 24 24 24 2 12 6 24 12 12
1.9 0.3 4.5 1.2 1.4 0.8 0.6 0.3 2.2 0.2 0.5 0.2 0.3 2.1 0.7 3.5 2.1 2.9 0.9 0.7 0.2 4.4 0.5 0.3 1.0 1.1 0.3
Perlialite
7 Zeolites
16:323-802,
1996
505
LTL
Linde he
COMPOSITION:
(Na3K6)(SipA19072).21H20
CRYSTAL
PG/mmm (No. 191) a = 18.40 A b = 18.40 8, a = 90” p = 90”
DATA:
REFERENCE
h 10 110 2 0 1 2 1 2 3 2 2 3 3 4 2 3 1 3 4 1 4 2 3 2 5 4 3 3 4
506
k
0 0 0 1 1 0 0 1 2 1 0 0 2 1 0 2 0 1 1 0 2 1 0 1 0 3 2
1
28
0
5.55 9.61 11.10 11.77 13.02 14.71 15.22 16.21 16.69 18.88 19.30 20.09 20.47 22.32 22.66 23.35 24.32 24.35 25.30 25.59 25.62 26.21 27.12 27.97 28.00 28.28 29.10 29.12 29.66
0 1 1 0 1 1 0 1 0 0 1 0 1 1 2 0 1 2 0 2 1 2 0 1 2 0 0
Zeolites
L
d 15.935 9.200 7.967 7.520 6.801 6.023 5.822 5.469 5.312 4.701 4.600 4.420 4.339 3.984 3.924 3.810 3.660 3.656 3.520 3.481 3.477 3.400 3.288 3.190 3.187 3.156 3.069 3.067 3.011
16:323-802,
c = 7.52 A y = 120°
R. M. Barrer and H. Villiger, Z. Kristallogr. 128, 352-270 (1969).
M
I rel
hkl
6 6 6 2 12 12 12 12 6 24 6 12 12 6 12 24 12 12 12 12 12 12 24 24 6 24 12 6 12
100.0
5 2 3 5 3 3 5 6 3 4 5 0 6 1 4 5 6 1 5 3 4 6 4 5 5 7 6 2 4
1996
2.2 1.9 24.3 1.7 17.5 10.6 0.2 0.7 1.0 18.3 3.5 11.6 1.5 22.7 0.3 16.1 0.5 0.4 11.5 5.3 1.3 12.1 5.7 20.9 3.2 15.4 3.0 4.8
0 2 1 1 3 2 1 0 2 1 2 0 0 0 3 0 1 1 2 3 2 1 4 1 3 0 2 2 4
1 2 2 0 1 1 1 0 2 2 0 3 1 3 1 2 0 3 1 2 2 1 0 2 0 0 0 3 1
20
d
Al
I rel
h
k
30.46 30.71 31.23 31.25 31.50 32.01 33.50 33.75 34.21 35.15 35.17 35.82 Sri.86 36.28 36.31 36.9: 36.99 37.17 37.21 37.86 38.29 38.95 39.17 39.57 39.59 39.59 40.84 41.00 41.04
2.934 2.911 2.864 2.862 2.840 2.796 2.675 2.656 2.621 2.553 2.552 2.507 2.504 2.476 2.474 2.431 2.430 2.419 2.416 2.377 2.350 2.312 2.300 2.277 2.276 2.276 2.210 2.201 2.199
12 12 24 12 12 24 24 6 24 24 12 2 12 12 24 12 12 12 24 12 24 24 6 24 12 6 12 12 12
0.8 25.2 2.3 0.2 1.6 2.9 2.8 11.3 8.3 0.1 3.1 0.8 4.6 0.1 4.4 0.1 5.5 0.3 1.8 0.3 0.4 0.2 3.7 0.5 0.4 0.2 0.4 2.0 6.7
3 5 6 4 6 7 3 6 4 7 6 8 5 5 4 5 7 7 3 8 6 5 7 0 1 1 7 5 2
1 3 0 0 2 1 2 1 1 1 3 0 0 4 4 3 0 2 3 0 2 1 2 0 0 1 1 5 0
1 3 1 2 3 1 0 3 2 3 1 0 0 3 1 2 2 2 0 3 1 2 3 1 4 4 4 2 0 4
26,
d
M
Ire,
41.41 41.44 41.63 42.61 42.64 42.85 43.79 44.39 44.56 44.59 45.16 45.54 46.07 46.10 46.27 46.64 46.64 46.66 46.81 47.20 47.74 48.26 48.29 48.42 48.77 49.48 49.52 49.54 49.84
2.180 2.179 2.169 2.122 2.120 2.111 2.067 2.041 2.033 2.032 2.008 1.992 1.970 1.969 1.962 1.947 1.947 1.947 1.941 1.925 1.905 1.886 1.885 1.880 1.867 1.842 1.841 1.840 1.830
24 24 12 12 24 12 24 24 24 24 12 6 12 24 12 24 12 12 12 12 24 24 24 2 12 12 24 6 12
0.1 0.4 0.4 0.8 0.2 0.1 0.4 1.1 0.9 0.5 0.9 0.4 0.4 0.9 0.2 0.7 0.2 0.6 0.5 0.4 0.7 0.8 0.3 7.2 0.4 0.1 0.2 1.7 0.1
Linde Type
LTL
L
Zeolites
16:323-802,
1996
507
LTN
NaZ-21
COMPOSITION:
Na384(Si384A138401536).394H20
CRYSTAL
F& (No. 203) origin at centre b = 36.95 A a = 36.95 A Q = 90” p = 90”
DATA:
REFERENCE:
h 1 2 3 2 4 3 3 5 4 5 5 4 6 6 5 6 4 5 6 5 7 7 8 7 6 8 5 7 6 8 8 7 7 9 8 6 8 7 7 9 8 8 7 9 9
k 1 2 1 2 0 3 3 1 4 1 3 4 0 2 3 2 4 5 2 5 1 3 0 3 6 2 5 1 6 0 4 3 5 1 2 6 4 5 7 3 2 6 7 1 5
508
1 1 0 1 2 0 1 3 1 0 3 1 2 2 0 3 2 4 1 4 3 3 1 0 3 0 2 5 5 2 4 0 5 3 1 4 4 4 5 1 3 6 2 3 5 1
20 4.14 6.77 7.94 8.29 9.57 10.44 12.45 12.45 13.56 14.18 14.18 14.38 15.16 15.16 15.73 15.91 16.62 17.14 17.96 18.44 18.44 18.44 19.22 19.67 20.39 20.39 20.82 20.82 20.96 21.51 21.51 21.91 21.91 21.91 22.05 22.57 23.59 23.96 23.96 23.96 24.57 24.57 24.93 24.93 24.93
Zeolites
d 21.333 13.064 11.141 10.667 9.238 8.477 7.111 7.111 6.532 6.246 6.246 6.158 5.842 5.842 5.635 5.570 5.333 5.174 4.938 4.810 4.810 4.810 4.619 4.514 4.355 4.355 4.267 4.267 4.239 4.131 4.131 4.056 4.056 4.056 4.032 3.939 3.771 3.714 3.714 3.714 3.623 3.623 3.572 3.572 3.572
16:323-802,
(3) c = 36.95 ii y = 90”
Y. F. Shepelev, Y. I. Smolin, I. K. Butikova Doklady Akad. Nauk SSSR 272, 1133-1137
M 8 12 24 8 6 24 8 24 12 24 24 24 12 12 24 24 8 24 24 24 24 24 6 24 12 24 8 24 24 12 12 24 24 24 24 24 24 24 24 24 24 24 24 24 24
I Xl 34.7 100.0 54.6 7.5 24.0 4.8 0.8 10.4 58.6 13.5 14.3 0.8 0.9 4.4 6.5 2.8 2.9 12.6 2.1 0.3 6.2 4.8 0.2 4.6 3.6 3.9 1.0 1.0 1.7 6.7 1.3 7.7 14.1 6.7 1.0 5.5 17.9 3.1 1.7 24.0 0.2 1.2 1.9 1.2 2.1
1996
h 6 10 9 9 8 8 10 10 7 8 9 9 9 11 11 8 10 8 10 9 9 11 10 10 7 11 11 10 10 12 9 9 11 11 12 12 9 8 12 12 10 10 9 11 11
k 6 2 3 5 4 6 2 4 7 8 1 5 7 1 3 8 4 6 0 3 7 3 2 6 7 1 5 4 6 2 5 7 3 5 0 4 9 8 2 4 2 8 9 1 5
1 6 2 5 3 6 4 4 2 5 0 7 5 1 3 1 2 4 6 6 7 3 3 6 2 7 5 1 6 4 2 7 5 5 3 4 0 1 6 4 2 8 2 3 7 5
28 25.04 25.04 25.86 25.86 25.97 25.97 26.42 26.42 26.76 27.31 27.63 27.63 27.63 27.63 27.63 27.74 27.74 28.16 28.16 28.48 28.48 28.48 28.58 28.58 29.30 29.30 29.30 29.81 29.81 29.81 30.11 30.11 30.11 30.11 30.60 30.60 30.90 30.99 30.99 30.99 31.38 31.38 31.66 31.66 31.66
d 3.556 3.556 3.446 3.446 3.431 3.431 3.373 3.373 3.332 3.266 3.228 3.228 3.228 3.228 3.228 3.216 3.216 3.168 3.168 3.134 3.134 3.134 3.123 3.123 3.048 3.048 3.048 2.997 2.997 2.997 2.968 2.968 2.968 2.968 2.921 2.921 2.894 2.885 2.885 2.885 2.851 2.851 2.826 2.826 2.826
M 8 24 24 24 24 24 24 24 24 12 24 24 24 24 24 24 24 24 12 24 24 24 24 24 8 24 24 24 24 24 24 24 24 24 12 12 24 24 24 24 24 24 24 24 24
IA 0.8 1.6 2.9 2.3 1.5 1.0 5.0 2.3 0.2 0.8 2.2 0.2 3.6 1.1 2.1 1.1 2.0 0.9 0.7 1.5 3.9 6.6 0.2 0.4 0.8 2.0 1.3 11.7 7.0 7.7 0.1 0.2 0.4 0.8 2.7 2.2 0.4 0.1 3.2 1.9 1.0 0.6 0.1 1.6 5.7
and V. I. Tarasov, (1975).
h
k
11 13 10 12 9 11 11 13 13 10 10 12 12 9 13 8 12 12 10 10 10 14 14 13 13 14 9 11 11 12 12 12 14 11 13 13 12 12 11 11 13 15 10 14 14
7 1 6 4 7 3 7 1 3 4 8 2 6 9 3 8 4 6 6 8 10 0 2 3 5 2 9 3 9 2 8 6 2 7 1 7 4 8 5 9 7 1 8 4 0
1 1 1 6 3 7 7 3 3 1 8 4 6 2 5 3 8 6 4 8 6 0 2 0 5 3 2 7 9 3 8 2 6 4 7 7 1 8 4 9 5 3 1 8 4 6
28
d
31.66 31.66 31.76 32.14 32.42 32.42 32.42 32.42 32.42 32.51 32.51 32.88 32.88 33.15 33.15 33.61 33.97 33.97 34.32 34.32 34.32 34.32 34.32 34.59 34.59 34.67 35.28 35.28 35.28 35.37 35.37 35.71 35.71 35.97 35.97 35.97 36.39 36.39 36.64 36.64 36.64 36.64 36.73 36.73 37.06
2.826 2.826 2.817 2.785 2.762 2.762 2.762 2.762 2.762 2.754 2.754 2.724 2.724 2.702 2.702 2.667 2.639 2.639 2.613 2.613 2.613 2.613 2.613 2.593 2.593 2.587 2.544 2.544 2.544 2.538 2.538 2.514 2.514 2.497 2.497 2.497 2.469 2.469 2.453 2.453 2.453 2.453 2.447 2.447 2.426
M-
IreI
24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 8 24 24 24 24 12 12 12 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 12
3.4 0.9 0.5 6.8 9.7 0.6 0.2 8.9 10.6 0.2 0.9 2.3 2.2 6.1 0.3 12.2 0.3 0.3 1.8 2.3 0.1 2.0 0.5 0.7 0.7 0.6 3.9 0.2 0.6 0.2 0.2 1.9 0.3 0.3 0.2 0.1 0.5 0.8 3.3 2.1 0.1 8.2 5.1 0.1 0.2
LTN
NaZ-21
t
3 -5 -
Zeolites
16:323-802,
1996
609
MAZ
Mazzite
(Na~.8K~.sCal.~~~g~,l)(Si26.~A1~.9072).~8H20
COMPOSITION:
Mont CRYSTAL
DATA:
P6s/mmc (No. n = 18.392 A a = 90”
REFERENCE:
hkl 10 1 2 1 2 2 3 2 2 3 3 4 3 0 1 3 4 1 4 2 3 5 4 3 3 4 5 2
510
28 1 0 0 1 0 0 1 2 1 0 0 1 0 0 2 0 1 1 0 2 0 1 0 3 2 0 2
0 0 0 1 0 1 0 1 0 0 1 0 1 2 2 0 1 2 0 2 1 0 1 2 0 0 1 2
5.55 9.62 11.11 12.84 14.71 16.07 16.70 18.76 19.30 20.10 20.36 22.33 23.25 23.27 23.94 24.36 25.22 25.23 25.63 25.85 27.04 28.01 28.20 28.78 29.13 29.68 30.40 30.41
Zeolites
d 15.928 9.196 7.964 6.893 6.020 5.515 5.309 4.730 4.598 4.418 4.361 3.982 3.825 3.823 3.717 3.654 3.532 3.530 3.476 3.446 3.297 3.186 3.164 3.102 3.065 3.010 2.941 2.940
16:323-802,
Semiol, Loire. France.
E. Galli, Rend. Sot. Ital.
iid
Ire,
6 6 6 12 12 12 6 24 6 12 12 6 24 2 12 12 12 12 12 12 24 6 24 12 6 12 12 12
98.1 92.2 39.7 25.3 45.0 5.1 16.4 50.4 1.3 9.1 1.4 11.6 97.3 14.3 36.2 31.9 0.2 100.0 5.2 8.7 2.1 83.7 0.4 35.4 25.4 31.6 54.5 48.2
1996
hkl 3 5 4 5 6 3 4 4 5 1 6 5 6 2 5 3 4 2 6 4 3 5 5 7 6 3 5 7
1 1 2 1 0 2 3 1 2 0 0 0 1 0 2 3 2 1 1 4 0 1 3 0 2 1 3 0
2 0 1 1 0 2 0 2 0 3 1 2 0 3 1 2 2 3 I 0 3 2 0 0 0 3 1 1
194) b = 18.392 H, p = 90”
Mineral.
Petrol.
c = 7.646 i% y = 120°
31, 599-612
26
d
Iif
Ire1
hkl
30.93 31.27 31.95 33.44 33.76 33.94 34.24 34.89 35.19 35.68 35.81 36.72 37.01 37.03 37.16 37.61 38.05 38.35 38.90 39.18 39.21 39.34 39.61 39.61 40.85 40.88 41.40 41.40
2.891 2.861 2.801 2.679 2.655 2.641 2.619 2.572 2.550 2.517 2.508 2.447 2.429 2.427 2.420 2.391 2.365 2.347 2.315 2.299 2.298 2.290 2.275 2.275 2.209 2.208 2.181 2.181
24 12 24 24 6 24 12 24 12 12 12 12 12 12 23 12 24 24 24 6 12 24 12 6 12 24 24 12
0.3 3.7 2.0 13.9 4.6 16.3 0.7 0.2 18.0 1.4 3.2 3.1 1.0 3.5 3.7 7.4 3.1 0.5 0.4 12.7 0.1 0.5 0.5 0.3 3.4 1.2 0.3 0.7
6 4 6 5 3 6 7 6 8 5 5 4 5 7 7 4 6 8 6 0 5 1 7 1 2 5 6 6
(1975).
0 0 2 2 2 1 1 3 0 0 4 4 3 0 2 2 3 0 2 0 1 0 2 1 0 5 0 4
2 3 1 2 3 2 1 0 0 3 1 2 2 2 0 3 1 1 2 4 3 4 1 4 4 0 3 0
20
d
41.41 42.09 42.60 42.61 43.28 44.17 44.55 45.18 45.56 45.58 46.06 46.07 46.44 46.44 46.68 46.70 46.80 47.17 47.54 47.57 47.79 47.93 48.26 48.65 49.01 49.56 49.58 49.91
2.181 2.147 2.122 2.122 2.090 2.050 2.034 2.007 1.991 1.990 1.971 1.970 1.955 1.955 1.946 1.945 1.941 1.927 1.913 1.912 1.903 1.898 1.886 1.872 1.859 1.839 1.838 1.827
lb! IreI 12 12 24 24 24 24 24 12 6 12 24 12 24 12 12 24 24 12 24 2 24 12 24 12 12 6 12 12
0.6 8.9 9.8 0.8 3.6 6.8 4.0 4.1 3.6 8.4 2.1 3.7 1.2 0.4 0.5 1.4 3.1 1.1 0.5 19.6 5.6 0.8 2.9 0.2 2.8 10.5 0.6 0.3
MAZ
Mazzite
, -2
Zeolites
16:323-802,
1996
511
MEI
ZSM-18
COMPOSITION:
si34068
CRYSTAL
P63/m
DATA:
(NO.
a = 13.175 Q =
REFERENCE:
hkl
26
1
0
0
1 0 1 1 1 2 2 1 1 2 1 2 1 1 0 2 3 1 1 3 1 2 2 2 3 3 1 2 1 3
0 0 1 0 1 0 0 1 0 0 2 1 2 1 0 0 0 2 0 0 2 1 2 2 1 0 0 2 3 1
1 2 0 2 1 0 1 2 3 2 0 0 1 3 4 3 0 2 4 2 3 3 0 1 1 3 5 2 2 2
512
d
7.75 9.55 11.17 13.44 13.60 14.56 15.53 16.51 17.51 18.51 19.17 20.59 20.59 21.35 21.56 22.44 22.94 23.39 23.49 23.77 25.99 26.68 26.68 27.07 27.66 28.77 28.93 29.24 29.37 30.41 30.41
Zeolites
11.410 9.260 7.924 6.588 6.508 6.083 5.705 5.368 5.066 4.794 4.630 4.312 4.312 4.161 4.121 3.962 3.876 3.803 3.788 3.743 3.429 3.341 3.341 3.294 3.225 3.103 3.087 3.054 3.041 2.939 2.939
16:323-802,
SiOv framework
176)
b = 13.175
A
p =
90”
A
90”
c =
15.848
Y =
120”
w
S. L. Lawton and W. J. R.ohrbaugh, Science 247, 1319-1322. (1990).
M
I rel
h
k
6 12 2 6 12 12 6 12 12 12 12 6 6 12 12 2 12 6 12 12 12 12 12 6 12 12 12 12 12 12 12
100.0 5.2 17.1 4.5 1.7 8.0 0.3 2.1 5.9 2.6 1.6 0.5 2.8 7.4 6.8 1.5 1.2 0.1 4.7 0.4 0.7 3.5 0.2 2.4 2.5 2.1 0.3 2.1 1.2 0.2 0.9
1 1 4 2 2 3 1 3 4 2 2 3 1 2 2 4 1 4 2 3 3 1 4 3 2 1 4 2 3 2 1
2 1 0 2 0 0 3 1 0 3 3 2 2 1 2 0 4 1 3 2 1 4 1 0 0 4 1 3 2 2 2
1996
1 4 5 0 3 5 4 3 3 2 0 1 1 5 5 4 3 0 0 2 2 4 1 1 5 6 2 2 3 3 5 6
28
d
M
Ire,
hkl
30.64 31.32 31.36 32.02 32.31 32.64 32.99 32.99 33.38 34.26 34.73 34.73 35.14 35.14 35.44 35.77 36.07 36.07 36.14 36.14 36.33 36.53 36.53 36.92 37.52 37.88 37.88 38.38 38.38 39.45 40.03
2.918 2.856 2.852 2.795 2.771 2.744 2.715 2.715 2.684 2.618 2.583 2.583 2.554 2.554 2.533 2.510 2.490 2.490 2.485 2.485 2.473 2.460 2.460 2.435 2.397 2.375 2.375 2.346 2.346 2.284 2.252
12 12 6 12 12 12 12 12 12 6 12 12 12 12 12 12 6 6 12 12 12 12 12 12 12 12 12 12 12 12 12
1.6 1.9 0.7 0.8 0.6 0.8 0.6 0.1 0.7 0.3 0.3 0.3 0.3 0.6 0.3 0.1 1.2 0.2 0.3 0.5 0.2 0.1 0.1 0.3 0.1 0.2 0.3 0.5 0.3 0.1 0.4
1 2 3 3 2 4 1 4 4 3 5 2 1 5 1 3 1 2 5 1 6 1 2 4 2 4 2 3 4
4 3 2 0 4 2 1 2 0 3 0 2 5 1 3 3 2 4 1 4 0 1 4 2 0 3 3 2 3
3 4 4 6 0 0 7 1 5 2 3 6 0 0 6 3 7 3 2 5 0 8 4 4 8 1 6 6 2
28
d
40.03 41.34 41.34 41.63 41.90 41.90 42.21 42.30 42.64 42.73 43.18 43.94 44.19 44.19 44.69 44.69 45.23 45.43 45.73 46.37 47.83 47.95 48.04 48.04 48.65 48.89 48.99 48.99 49.96
2.252 2.184 2.184 2.170 2.156 2.156 2.141 2.137 2.120 2.116 2.095 2.061 2.049 2.049 2.028 2.028 2.005 1.996 1.984 1.958 1.902 1.897 1.894 1.894 1.871 1.863 1.859 1.859 1.825
M Ire1 12 12 12 12 6 6 12 12 12 12 12 12 6 6 12 12 12 12 12 12 6 12 12 12 12 12 12 12 12
0.3 0.1 0.1 0.1 0.4 0.3 0.5 0.3 0.2 0.2 0.2 0.3 0.2 0.3 0.3 0.4 0.2 0.1 0.1 0.1 0.7 0.6 0.1 0.3 0.4 0.4 0.3 0.1 0.1
ZSM-18
50,
framework
Zeolites
l&323-802,
1996
513
MEL
Calcined
COMPOSITION:
SxAh2
CRYSTAL
I4m2 (No. 1191 n = ad.067 il ’ b = 20.067 A Q: = 90” /!3 = 90”
DATA:
REFERENCE
h lc 1 1 1 0 1 2 2 2 0 112 3 2 3 4 3 3 4 4 1 4 213 510 3 4 5 4 3 5 4 3 5 5 0 6 114 6 2 5
514
0 0 1 2 0 01 0 2 0 3 1 1 2 0 0
1 0 1 0 2
2
1 0 0 2 1 0 3 2
3 31 01 2 0 21 4 2 3 1 0 0
2
1 0 3
1 4 2
2 3 0 3 0 2 4 0
28 6.23 7.93 8.81 11.87 12.48 13.20 14.61 14.80 15.90 17.25 17.68 18.76 19.26 19.40 19.79 20.35 22.13 22.22 22.59 23.01 23.13 23.13 23.86 23.94 24.80 25.10 25.56 25.89 26.26 26.59 26.65 27.33 27.85 28.06 29.17
Zeolites
ZSM-11
d 14.190 11.150 10.034 7.458 7.095 6.705 6.063 5.986 5.575 5.140 5.017 4.730 4.609 4.575 4.487 4.363 4.017 4.001 3.935 3.865 3.845 3.845 3.729 3.717 3.590 3.547 3.485 3.442 3.394 3.353 3.345 3.263 3.203 3.180 3.062
16:323-802,
c = 13.411 A y = 90”
C. A. Fyfe, H. Gies, G. T. Kokotailo, C. Pa&or, J. Am. Chem. Sot. 111. 2470.-2474 (1989).
M
I I?21
4 8 4 16 4 2 8 8 8 16 4 4 16 16 8 8 8 16 8 8 16 8 16 8 16 4 16 8 16 2 4 8 16 8 16
2.4 100.0 53.6 3.9 0.4 9.2 0.7 15.5 8.0 3.6 7.1 1.6 3.7 0.3 0.2 3.2 0.2 0.6 1.2 1.2 0.3 52.5 0.1 22.7 5.1 0.5 2.6 0.1 2.1 2.4 2.7 0.5 0.4 2.0 7.6
1996
h k
1
5 4 5 3 6 6 5 5 7 7 4 3 10 6 7 5 7 2 5 5 6 8 3 6 7 8 8 3 7 5 6 7 8 8 0
1 3 3 4 1 2 3 0 0
4 3 0 1 3 2 2 5 1 01 0 3 1 3 5 1 15 4 1 5 0 0 3 3 1 2 2 0 3 0 5 3 2 0
4 4 5 3 0 2 2 3 4 1 0 5 3 2 1 0 5 3 4 4 0 1 2 6
28
d
hl
I,-e]
29.26 29.92 29.92 30.15 30.62 31.18 31.25 31.52 31.52 31.92 32.11 32.74 33.71 33.77 34.02 34.31 34.31 34.91 34.96 35.16 35.58 35.80 36.08 36.13 36.64 36.72 36.94 37.21 37.26 37.45 38.00 38.59 38.93 39.39 40.35
3.052 2.986 2.986 2.964 2.920 2.868 2.862 2.838 2.838 2.803 2.787 2.735 2.659 2.654 2.635 2.613 2.613 2.570 2.566 2.552 2.523 2.508 2.489 2.486 2.452 2.447 2.433 2.416 2.413 2.401 2.368 2.333 2.314 2.287 2.235
16 16 8 16 16 16 16 4 8 8 8 8 8 16 8 8 16 16 IA 16 16 4 8 16 16 16 8 16 8 16 8 8 16 16 2
0.4 0.3 9.6 0.7 0.2 0.1 2.2 0.6 0.1 0.2 0.4 0.2 0.5 0.2 0.4 2.3 0.3 0.1 0.3 1.4 0.4 1.4 1.6 0.6 0.5 0.3 0.4 0.2 1.3 1.9 0.2 0.2 0.8 0.2 0.2
h k 5 6 7 9 2 5 5 8 3 8 6 8 7 4 3 9 8 8 10 10 8 10 7 10 8 7 10 10 5 8 8 3 8
0 5 5 0 0 2 5 4 16 5 1 3 3 0 3 4 0 6 0 1 2 2 0 0 5 5 3 2 3 7 4 0 1
H. Strobl and D. E. Cox,
1 5 3 2 1 6 5 4 2 1 5 3 4 6 6 1 4 0 0 1 4 0 5 2 3 4 1 2 6 1 4 7 5
20
d
M
IreI
40.45 40.49 40.96 41.03 41.38 41.48 41.70 42.49 42.90 43.06 33.48 43.53 43.69 44.37 14.85 15.00 15.14 45.18 45.18 -15.95 46.09 46.13 46.36 47.28 47.33 47.48 47.80 48.19 48.57 48.71 48.84 49.49 49.99
2.230 2.228 2.203 2.200 2.182 2.177 2.166 2.128 2.108 2.101 2.081 2.079 2.072 2.042 2.021 2.01-I 2.008 2.007 2.007 1.975 1.969 1.968 1.959 1.923 1.921 1.915 1.903 1.888 1.874 1.869 1.865 1.842 1.825
8 16 16 8 8 16 8 16 16 16 16 16 16 8 8 16 8 8 4 16 16 8 8 8 16 16 16 16 16 16 16 8 16
0.1 0.3 1.0 0.4 0.3 0.2 0.2 0.2 0.4 0.2 0.1 1.3 0.3 0.1 0.4 0.2 3.6 0.2 4.7 0.4 0.9 0.4 0.2 0.3 1.2 0.2 0.2 0.2 2.4 0.5 0.3 0.7 0.2
Calcined
MEL
ZSM-11
Zeolites
16:323-802.
1996
515
MEP
Melanophlogite
COMPOSITION:
(Si46092).(CH4, Mt. Hamilton,
CRYSTAL
Pm% (No. 223) a = 13.436 A b = 13.436 A
DATA:
N2)2.(C02, Nz)s California, U.S.A.
CY= 90” REFERENCE:
h
k
1
28
110 9.31 2 0 0 13.18 2 1 0 14.74 2 1 1 16.16 3 1 0 20.91 2 2 2 22.93 3 2 0 23.88 3 2 1 24.79 4 0 0 26.54 4 1 0 27.37 3 3 0 28.18 4 1 1 28.18 4 2 0 29.74 4 2 1 30.49 3 3 2 31.22
516
Zeolites
p = 90”
H. Gies, Z. Kristallogr.
164, 247-257 (1983).
d
A4
Ire,
h
k
1
9.501 6.718 6.009 5.485 4.249 3.879 3.726 3.591 3.359 3.259 3.167 3.167 3.004 2.932 2.865
12 6 24 24 24 8 24 48 6 24 12 24 24 48 24
9.3 15.2 100.0 75.2 2.7 34.7 21.4 88.1 2.2 24.2 15.3 1.0 0.5 12.7 4.6
4 4 5 4 5 5 4 4 5 5 4 6 6 5 6
2 3 1 3 2 2 4 3 3 3 4 0 1 3 1
2 32.65 0 33.34 0 34.02 2 36.00 0 36.00 1 36.63 0 37.88 3 39.09 0 39.09 1 39.69 2 40.27 0 40.27 0 40.85 2 41.43 1 41.43
16:323-602,
1996
c = 13.436 A y = 90”
28
d
M
Ire,
hkl
2.743 2.687 2.635 2.495 2.495 2.453 2.375 2.304 2.304 2.271 2.239 2.239 2.209 2.180 2.180
24 24 24 48 24 48 12 24 24 48 24 6 24 48 24
2.0 2.3 1.1 9.6 0.2 0.2 1.5 3.1 7.6 2.2 1.0 3.7 1.0 4.3 0.2
5 5 5 6 6 4 6 5 7 6 7 5 6 7
4 4 4 3 3 4 3 5 1 4 2 5 3 2
0 1 2 0 1 4 2 0 0 1 0 2 3 1
28
d
43.11 43.66 45.27 45.27 45.80 46.85 47.36 47.87 47.87 49.38 49.38 49.87 49.87 49.87
2.098 2.073 2.003 2.003 1.981 1.939 1.919 1.900 1.900 1.846 1.846 1.828 1.828 1.828
M
Ire1
24 48 48 24 48 8 48 12 24 48 24 24 24 48
0.3 3.7 2.2 0.3 2.8 2.9 1.0 1.9 0.2 0.3 0.8 0.1 2.3 0.3
MEP
Melanophlogite
-3
Zeolites
16:323-802,
1996
517
MER
Merlinoite
COMPOSITION:
(N~.~~K~.~~Ca~,~~B~.~~)(Si~~.~~Al~.~~0~~)~22.74H~O Cupaello! Italy.
CRYSTAL
Immm (No. 71) a = 14.1‘16 A ‘b = 14.229 A
DATA:
a = 90”
E. Galli, G. Gottardi Neues Jahrb. Miner.
REFERENCE:
h
k
1
28
1 0 1 0 2 121 2 2 0 1 3 112 0 3 0 2 2 3 0 2 4 3 3 1 4 0 1 2 4 1 2 0 4 1 3 5 0 3
1 1 0 2 0
0 1 1 0 0
11 2 0 3 1
0 2 0 0
8.82 10.85 10.88 12.44 12.54 16.56 16.61 17.70 17.84 19.75 19.87 19.93 20.75 20.88 21.80 21.86 24.32 24.38 25.03 25.23 25.24 26.69 26.83 27.37 27.54 27.63 27.64 28.09 28.23 30.41 30.44 30.91 31.07 32.08 32.28 32.33 32.73 32.82
518
3 0 2 0 3 2 4 2 0 3 1 4 11 1 0 4 2 2 13 4 0 5 3 10 5 4
1 1 2 2 1 1 0 2 0 0 2 1 3 3 0 0 3 2 2 0 2 1 1
Zeolites
d 10.021 8.152 8.130 7.115 7.058 5.354 5.336 5.011 4.973 4.496 4.467 4.455 4.281 4.253 4.076 4.065 3.660 3.651 3.557 3.530 3.529 3.340 3.323 3.259 3.239 3.229 3.227 3.177 3.161 2.939 2.936 2.893 2.878 2.790 2.773 2.769 2.736 2.729
16:323-802,
and D. Pongiluppi, Mona&h. 1, l-9 (1979).
AZ
I El
h
I;
1
28
d
4 4 4 2 2 8 8 4 2 4 4 8 4 4 4 4 8 8 2 8 2 4 8 8 8 4 4 4 4 8 8 4 4 4 8 4 4 8
12.4 26.1 10.7 88.3 73.5 80.9 61.2 44.3 46.8 1.4 34.5 0.2 41.2 1.1 12.4 21.7 10.5 32.4 1.6 0.9 6.1 1.5 0.6 67.2 33.6 48.4 57.7 100.0 76.4 63.1 75.5 0.5 0.2 0.1 3.6 19.8 8.4 38.2
4 0 5 3 2 4 2 5 2 3 4 0 3 1 5 5 1 1 4 0 6 0 2 1 4 2 3 5 1 3 4 0 3 4 5 0 6 3
3 3 0 0 4 2 5 2 3 2 4 0 5 5 3 1 1 4 1 6 0 2 0 6 4 2 5 3 3 1 5 5 4 3 0 6 0 6
1 3 1 3 2 2 I 1 3 3 0 4 0 2 0 2 4 3 3 0 0 4 4 1 2 4 2 2 4 4 1 3 3 3 3 2 2 1
32.89 32.96 32.98 33.05 33.47 33.59 35.18 35.38 35.40 35.44 35.84 36.12 36.91 36.95 37.06 37.16 37.26 37.63 37.76 37.94 38.25 38.35 38.38 39.58 40.31 40.50 41.28 41.41 41.50 41.56 41.77 41.83 41.91 41.96 42.03 42.22 42.51 43.70
2.723 2.717 2.716 2.710 2.677 2.668 2.551 2.537 2.536 2.533 2.505 2.486 2.435 2.433 2.426 2.419 2.413 2.390 2.382 2.371 2.353 2.347 2.345 2.277 2.237 2.227 2.187 2.180 2.176 2.173 2.162 2.159 2.156 2.153 2.150 2.141 2.127 2.071
1996
c = 9.946 ii y = 90”
p = 90”
AJ
IreI
h
k
1
28
d
8 4 4 4 8 8 8 8 8 8 4 2 4 8 4 8 8 8 8 2 2 4 4 8 8 8 8 8 8 8 8 3 8 8 4 4 4 8
6.5 26.1 32.3 4.7 5.3 16.4 27.4 12.1 0.3 14.8 8.2 2.9 0.7 10.2 4.9 1.0 1.3 10.4 2.5 0.2 1.8 1.0 0.2 2.2 0.6 0.1 0.2 12.9 4.2 2.5 0.6 0.3 4.8 0.5 1.5 1.8 0.2 0.7
2 6 5 2 0 6 4 1 5 7 3 0 7 0 1 4 6 2 4 2 1 7 6 1 2 3 17 5 1 7 5 4 5 0 3 4 6
5 3 2 6 4 2 0 7 5 1 3 7 0 1 0 6 4 4 2 7 6 2 1 2 1 7
3 1 3 2 4 2 4 0 0 0 4 1 1 5 5 0 0 4 4 1 3 1 3 5 5 0 2 2 4 2 4 3 3 5 5 2 2
43.84 43.91 44.01 44.21 44.45 44.46 44.58 45.06 45.24 45.42 45.47 45.55 It? 45.!12 36.07 46.08 46.11 46.26 36.37 46.46 47.43 47.58 47.76 47.84 47.92 47.94 48.80 48.83 49.00 49.08 49.17 49.25 49.48 49.55 49.70 49.76 49.82 49.96
2.065 2.062 2.058 2.048 2.038 2.038 2.033 2.012 2.004 1.997 1.995 1.992 1.976 1.970 1.970 1.968 1.962 1.958 1.954 1.917 1.911 1.904 1.901 1.898 1.898 1.866 1.865 1.859 1.856 1.853 1.850 1.842 1.840 1.834 1.832 1.830 1.825
5 5 1 1 5 4 3 0 6 4
AJ IreI 8 8 8 8 4 8 3 4 4 3 8 4 4 4 4 4 4 8 8 8 8 8 8 8 8 4 8 8 8 8 8 8 8 4 4 8 8
1.8 4.4 1.1 2.7 0.7 1.3 0.9 0.6 6.6 2.8 0.3 0.2 7.1 4.2 0.9 0.3 1.5 4.2 0.9 1.7 2.9 0.1 0.6 1.6 2.4 0.3 1.9 0.7 4.2 3.2 1.2 7.7 0.4 3.0 0.1 0.7 1.0
MER
Merlinoite
Zeolites
16:323-802,
1996
519
MER
Barium
COMPOSITION:
(Baa(H20)12)(BaC12)4(Si21.33A110.67064)
CRYSTAL
I4/mmm (No. a = 14.194 A a = 90”
DATA:
REFERENCE:
hkl 1 1 0 1 2 2 2 0 3 3 1 2 3 4 2 3 4 3 4 1 4 5 2
520
0 0 1 2 0 1 0 1 0 2 0 2 3 1 1 2 0 0 1 1
1 0 1 0 2 0 1 2 2 1 0 2 0 1 2 0 3 2 0 3
chloroaluminosilicate
28 8.81 11.43 12.47 16.95 17.67 19.22 19.78 21.10 21.18 22.98 24.58 25.09 26.23 26.64 27.65 27.72 28.11 29.70 31.80 32.15 32.32
Zeolites
d 10.037 7.740 7.097 5.231 5.018 4.617 4.489 4.211 4.195 3.870 3.621 3.548 3.398 3.346 3.226 3.218 3.174 3.008 2.814 2.784 2.770
16:323-602,
139) b = 14.194 A p = 90”
c = 9.234 A y = 90”
L. P. Solov’eva, S. V. Borisov and V. V. Bakakin, Sov. Phys. - Crystallogr. 16, 1035-1038 (1972).
M
Ire1
4
8 4 16 4 2 8 8 8 8 16 4 8 4 16 16 8 8 8 8 16
0.6 25.9 0.8 1.5 25.8 0.3 55.4 100.0 36.2 0.4 0.2 5.3 39.3 36.3 35.5 1.8 29.6 21.0 3.9 10.9 79.3
1996
hkl 4 5 3 4 3 5 4 5 3 5 6 0 4 6 1 6 4 2 5 5 6
20 3 0 3 2 0 2 4 3 2 1 0 0 1 1 1 2 4 0 4 3 0
1 1 2 2 3 1 0 0 3 2 0 4 3 1 4 0 2 4 1 2 2
33.01 33.01 33.07 34.28 34.77 35.42 35.79 36.93 37.07 37.73 38.04 39.02 39.26 39.85 40.08 40.18 40.93 41.12 41.91 41.96 42.96
d 2.714 2.714 2.709 2.616 2.580 2.535 2.509 2.434 2.425 2.384 2.366 2.308 2.295 2.262 2.250 2.244 2.205 2.195 2.155 2.153 2.105
M
IreI
h
k
I
28
16 8 8 16 8 16 4 8 16 16 4 2 16 16 8 8 8 8 16 16 8
36.4 7.7 23.3 44.2 1.2 37.0 0.4 3.8 0.2 33.6 8.3 6.3 4.1 3.3 1.4 1.4 1.2 3.9 1.0 0.3 3.8
2 4 5 6 3 6 7 5 7 6 4 7 3 4 7 6 5 7 1
2 3 0 3 1 2 1 2 0 4 0 2 3 2 3 1 5 1 0
4 3 3 1 4 2 0 3 1 0 4 1 4 4 0 3 2 2 5
43.13 43.36 43.36 43.90 44.11 44.91 45.17 45.29 45.81 46.11 46.95 47.67 47.87 48.78 48.87 48.98 49.51 49.51 49.79
d 2.097 2.087 2.087 2.062 2.053 2.018 2.007 2.002 1.981 1.968 1.935 1.908 1.900 1.867 1.864 1.860 1.841 1.841 1.831
A4
Ire,
8 16 8 16 16 16 8 16 8 8 8 16 8 16 8 16 8 16 8
2.1 4.1 3.3 23.4 4.4 0.2 1.7 6.3 1.4 1.6 1.2 0.3 3.9 2.9 0.8 1.3 3.8 0.2 1.0
Barium
MER
chloroaluminosilicate
-z
-0
P
-0
Zeolites
16:323-602,
1996
521
MFI
Tetrapropylammonium
COMPOSITION:
(Si95.7Alo.30192).4(C3H7)4NOH
CRYSTAL
Pnm,u iNo. 621 a = 20.b22 A ' b = 19.899 A
DATA:
0 = 90” REFERENCE:
h
k
1
26'
1 0 2 0 1 2 2 2 1 2 0 1 2 1 3 0 3 1 2 0 2 2 1 3 2 4 0 4 3 1 4 1 4 2 3 1 0 2 1 4 2 4 4 0 2
0 1 0 2 1 1 01 1 2 2 0 0 2 1 0 31 1 3 0 2 3 1 2 2 3 0 4 1 1 3 1 4 2 4 3 0 1 3 1 2 0 0 3 4 1
1 1 0 0 1 0
7.95 7.96 8.83 8.89 9.11 9.89 11.04 11.90 11.93 12.54 13.23 13.95 14.19 14.65 14.83 14.91 15.49 15.55 15.93 15.96 16.03 16.55 16.57 17.32 17.35 17.72 17.83 18.28 19.31 19.36 19.45 19.55 19.86 19.93 20.00 20.40 20.40 20.84 20.88 20.95 21.81 22.18 22.25 22.27 22.27
522
1 1 0 2 2 1 2 1 1 1 2 2 0 2 2 1 1 0 0 0 2 2 1 1 0 0 1 3 3 2 3 1 3 2 0 2 3
Zeolites
ZSM-5
d 11.126 11.105 10.011 9.950 9.711 8.943 8.016 7.436 7.417 7.057 6.692 6.346 6.242 6.046 5.972 5.943 5.720 5.697 5.563 5.553 5.529 5.358 5.351 5.121 5.110 5.006 4.975 4.854 4.598 4.586 4.563 4.541 4.471 4.455 4.438 4.354 4.353 4.262 4.254 4.241 4.075 4.008 3.995 3.992 3.992
16:323-802,
p = 90”
c = 13.383 8, y = 90”
H. van Koningsveld, H. van Bekkum Acta Cryst. B43) 127-132 (1987).
and J. C. Jansen,
M
I rel
h
k
1
20
d
nr
I rel
h
k
1
28
d
I rel
4 4 2 2 8 4 4 8 8 4 2 4 8 8 4 4 8 8 4 4 4 8 8 8 8 2 2 4 8 8 8 8 4 4 8 4 4 8 8 8 4 4 4 4 8
68.4 50.3 31.3 36.8 25.4 4.7 1.0 2.8 10.4 5.4 6.8 17.4 0.4 8.6 10.9 4.1 0.8 10.0 6.2 5.6 3.5 1.8 1.5 3.5 0.5 2.6 5.6 0.5 8.4 2.1 0.8 0.3 0.5 0.5 2.6 4.7 7.1 3.2 3.9 8.9 3.0 0.2 5.6 0.7 0.2
1 4 1 3 5 4 0 2 1 3 0 2 13 5 3 2 5 4 4 5 1 0 6 4 5 0 3 1 6 1 1 5 6 3 2 6 1 2 0 6 4 2 1 4 6
2 1 4 3 01 3 5 2 5 0 3 5
3 2 2 2
22.29 22.63 22.71 23.11 23.18 23.23 23.32 23.59 23.74 23.99 24.04 24.06 24.45 24.87 25.63 25.66 25.93 25.97 26.12 26.32 26.43 26.64 26.71 26.77 26.85 26.88 26.92 27.02 27.09 27.22 27.40 27.46 27.55 27.55 27.56 27.92 28.07 28.12 28.14 28.21 28.26 28.35 28.50 28.66 29.00
3.989 3.929
8 8 8
5 3 5 4 3 6 5 3 0 0 3 13 6 1 1 3 3 2 5 2 4 4 0 0 7 4 6 5 6 1 0 1 7 1 7 5 2 7 5 4 6 4 5 7 1
3 5 41 5 0 3 0 4 6 5 1
2 2
3.915 3.849 3.836 3.828 3.815 3.771 3.747 3.709 3.702 3.698 3.640 3.579 3.475 3.472 3.436 3.431 3.412 3.386 3.372 3.346 3.337 3.330 3.321 3.317 3.312 3.300 3.291 3.276 3.255 3.248 3.238 3.237 3.237 3.196 3.178 3.173 3.171 3.164 3.158 3.148 3.132 3.115 3.079
1.8 0.7 0.5 4.0 100.0 0.8 78.7 0.1 31.0 47.7 4.0 1.8 39.7 1.2 3.0 0.6 0.3 13.6 0.2 1.3 1.6 1.2 2.7 5.9 0.4 2.9 0.5 9.6 0.5 0.2 0.7 0.1 0.7 1.6 2.1 0.2 0.7 1.3 0.1 0.1 0.7 0.3 2.4 0.9 0.4
29.27 29.34 29.40 29.44 29.87 29.97 29.99 30.05 30.07 30.09 30.22 30.25 30.26 30.41 30.43 30.84 31.23 31.25 31.33 31.42 31.68 32.18 32.19 32.24 32.32 32.35 32.89 32.95 33.54 33.78 33.79 33.98 34.09 34.09 34.39 34.48 34.69 34.81 34.95 34.98 35.09 35.14 35.24 35.30 35.33
3.051 3.044 3.038 3.034 2.991 2.981 2.980 2.973 2.972 2.970 2.958 2.954 2.953 2.939 2.938 2.900 2.864 2.862 2.855 2.847 2.824 2.782 2.781 2.776 2.770 2.767 2.723 2.718 2.672 2.653 2.653 2.638 2.630 2.630 2.607 2.601 2.586 2.577 2.568 2.565 2.557 2.554 2.546 2.543 2.540
0.1 11.9 0.8 0.6 0.4 1.2 7.4 1.1 0.2 9.1 0.9 0.1 0.4 0.3 7.3 0.3 0.2 0.3 1.8 0.4 0.3 0.5 0.4 0.6 0.1 0.3 4.5 0.1 1.1 0.5 0.4 0.1 0.2 0.2 0.1 6.4 0.9 1.8 0.3 1.7 1.0 0.3 1.4 0.1 1.0
1996
2 2 3 0 3 4 12 5 0 0 0 3 6 5 0 1 4 1 2 01 3 5 1 6 0 2 2 2 6 2 5 2
1 1 3 1 3 3 0 3 1 3 3 2 2 1 2 4 0 3 1 0 1 4 0 3 4 2 3 2 1 1 4 4 0 3 0 4 0 1
8 8 8 4 4 4 8 '8 8 8 4
8
8
1 6 5 6 2 3 2 5 5 0 7 4 1 4 3 3 0 0 1 6 0 1 1 5 0 3 0 3 5 5 1 2 5
1 4 0 3 3 2 3 4 4 2 2 3 1 4 4 3 3 2 4 1 4 1 3 2 3 3 5 5 3 2 5 2 2 5 1 4 4 0 3 4 2 4
8 4 4 8 8 8 8 8 8 8 8 8 8 8 4
4 8 8 8 8 4 8 4 8 4 8 8 8 8
Tetrapropylammonium
ZSM-5
Zeolites
16:323-802,
1996
523
MFI
Calcined
CRYSTAL
DATA:
P121/n 1 (No. a = 19.879 A a = 90”
REFERENCE:
h -1
k 0
1 1
0 1 0 2 -1 1 1 0 -2 2 2 0 0 -1 1 0 -3 3 -3 3 -2 0 3 2 -2 -1 1 2 -2 2 0 4 1 0 0 -1 1 -1 -4 4 2 -3 3 -1
1 0 2 0 1 1 2 2 1 1 2 0 1 1 1 3 0 0 1 1 0 2 2 0 1 2 2 1 3 3 4 0 4 3 4 3 3 4 1 1 4 3 3 0
1 1 0 0 1 1 0 1 1 1 0 2 2 2 2 1 1 1 1 1 2 2 0 2 2 2 2 2 1 1 0 0 0 2 1 2 2 1 1 1 0 1 1 3
524
20 7.93 7.94 8.01 8.80 8.90 9.07 9.14 9.86 11.01 11.88 11.99 12.52 13.25 13.96 14.61 14.71 14.79 14.85 14.99 15.50 15.63 15.89 15.92 16.02 16.07 16.50 16.50 16.58 16.66 17.24 17.32 17.64 17.85 18.20 18.75 18.86 19.24 19.31 19.37 19.49 19.63 19.79 19.93 20.03 20.37
Zeolites
d 11.153 11.132 11.033 10.053 9.939 9.753 9.673 8.971 8.035 7.450 7.378 7.068 6.684 6.343 6.062 6.023 5.991 5.965 5.909 5.718 5.670 5.577 5.566 5.532 5.517 5.374 5.374 5.346 5.320 5.143 5.119 5.027 4.969 4.873 4.733 4.705 4.613 4.595 4.583 4.554 4.522 4.486 4.456 4.432 4.359
16:323-802.
ZSM-5
14) unique axis b, cell choice 2 b = 20.107 A c = 13.369 A y = 90” /3 = 90.67”
H. van Koningsveld, J. C. Jansen and H. van Bekkum, Zeolites 10. 235--242 (1990).
M
I rel
h
k
1
20
2 4 2 2 2 4 4 4 4 4 4 4 2 4 4 4 4 2 2 4 4 2 4 4 2 4 4 4 4 4 4 2 2 4 4 4 4 4 4 4 4 4 4 4 2
37.1 100.0 31.9 47.8 51.6 13.9 14.1 1.4 1.2 1.1 0.6 0.5 7.3 11.0 0.7 0.2 13.7 2.7 4.9 5.0 5.0 2.0 6.1 1.3 1.4 1.5 0.3 0.3 2.0 0.6 1.1 3.6 5.4 0.7 0.2 0.6 2.2 1.5 0.2 0.1 0.2 0.3 0.2 0.2 2.2
0 1 -2 -3 -1 -2 2 2 3 1 0 3 -2 -1 2 -1 -4 1 -3 0 3 -5 -5 -3 0 3 -3 3 -2 2 -2 -3 2 3 -3 3 -1 1 -5 0 0 1 0 -1 -3
1 0 3 2 1 4 3 4 2 1 2 4 1 2 1 4 1 4 3 5 3 0 1 0 3 0 1 1 5 5 3 2 3 2 4 4 5 5 1 6 0 6 1 1 3
3 3 2 2 3 1 2 1 2 3 3 0 3 3 3 2 2 2 2 1 2 1 1 3 3 3 3 3 1 1 3 3 3 3 2 2 2 2 2 0 4 0 4 4 3
20.41 20.48 20.72 20.74 20.85 20.85 20.85 20.92 20.94 20.95 21.82 22.20 22.21 22.23 22.40 22.55 22.61 22.61 23.00 23.10 23.19 23.27 23.69 23.93 23.98 24.20 24.35 24.61 24.77 24.82 25.54 25.54 25.71 25.79 25.85 26.02 26.22 26.27 26.32 26.60 26.67 26.98 27.05 27.37 27.43
1996
d
M
I rel
h
k
4.350 4.337 4.287 4.282 4.260 4.259 4.259 4.246 4.242 4.240 4.074 4.005 4.002 3.999 3.969 3.943 3.933 3.932 3.866 3.851 3.836 3.823 3.756 3.718 3.711 3.678 3.656 3.618 3.595 3.587 3.487 3.487 3.465 3.454 3.446 3.425 3.399 3.392 3.386 3.351 3.342 3.305 3.297 3.258 3.251
4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 2 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 2 2 4 4 4 4
1.9 1.3 0.3 0.8 0.1 2.6 0.3 3.4 0.7 0.3 2.1 2.8 0.3 0.2 0.3 0.1 0.1 0.3 0.3 44.7 1.0 16.1 8.1 1.4 23.0 2.1 7.6 8.2 1.0 0.5 1.5 0.4 0.9 1.0 3.1 4.1 1.2 0.3 0.4 2.8 0.1 0.2 5.1 0.6 0.3
0 -5 2 1 3 1 0 2 -2 2 -2 -5 -4 -5 0 3 -4 0 -5 -3 -1 1 -5 -6 -6 -2 -5 2 2 3 -5 0 -4 -7 1 -1 4 -3 3 3 3 0 -1 0 0
6 2 5 1 3 6 2 0 1 1 6 3 5 4 3 6 3 5 0 1 3 6 1 1 3 5 2 3 5 2 4 7 0 0 7 4 0 6 6 3 5 6 0 1 7
1 1 2 2 4 3 1 4 4 4 4 1 2 1 1 4 0 3 3 3 4 4 2 3 2 1 3 3 4 3 4 2 1 4 1 1 4 4 2 2 4 3 3 5 5 2
28
d
lb!
IreI
27.44 27.44 27.45 27.47 27.67 27.82 28.14 28.27 28.42 28.62 28.87 29.22 29.29 29.35 29.87 29.88 29.91 29.93 29.94 30.14 30.17 30.19 30.28 30.30 30.77 31.21 31.27 31.32 31.35 31.41 31.55 31.86 32.10 32.15 32.20 32.44 32.46 32.74 32.87 32.99 33.00 33.46 33.77 33.82 33.97
3.251 3.250 3.250 3.246 3.224 3.206 3.171 3.157 3.140 3.118 3.092 3.057 3.049 3.043 2.991 2.990 2.987 2.985 2.984 2.965 2.962 2.960 2.952 2.950 2.906 2.865 2.861 2.856 2.853 2.848 2.836 2.808 2.788 2.784 2.780 2.760 2.758 2.735 2.724 2.715 2.714 2.678 2.654 2.650 2.639
4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 2 2 4 4 2 4 4 4 4 4 2 4 4
1.1 0.8 0.1 0.2 0.3 0.1 0.6 0.2 1.1 0.4 0.2 3.0 0.2 0.1 0.1 0.7 0.3 6.6 4.0 0.2 0.8 0.4 2.6 0.4 0.3 1.0 0.4 0.2 0.6 0.2 0.6 0.2 0.1 0.7 0.2 0.1 0.2 1.6 1.2 0.4 0.1 1.3 0.9 0.2 0.4
Calcined
ZSM-5
4
---l
Zeolites
16:323-802,
1996
525
MFS
ZSM-57
SiO, framework
COMPOSITION:
Si36072
CRYSTAL
Imm2 (No. 44)
DATA:
a = 7.4510 A cy = 90” REFERENCE:
h
k
28
d
M
I rel
7.82 9.42 12.49 12.78 13.43 15.48 15.67 16.43 17.91 18.52 18.91 19.38 22.28 22.40 22.73 23.27 23.60 23.88 24.24 24.53 25.14 25.17 25.73 26.59 26.90 27.04 28.30 28.54 28.59 28.69 29.39
11.309 9.383 7.086 6.925 6.595 5.723 e5.655 5.396 4.953 4.791 4.692 4.581 3.989 3.969 3.912 3.823 3.770 3.725 3.672 3.628 3.543 3.538 3.463 3.352 3.314 3.297 3.154 3.128 3.122 3.111 3.039
4 2 2 4 4 4 4 8 8 4 2 4 4 8 4 8 4 2 8 4 2 8 4 4 4 4 8 2 8 8 8
100.0 57.8 18.3 36.9 0.8 8.6 11.8 16.4 1.4 11.1 4.0 0.5 1.6 3.6 3.7 10.9 30.7 4.6 0.7 4.1 17.2 2.6 25.9 3.2 3.6 0.2 1.4 2.3 17.2 2.4 3.7
1
1
0 0 1 1 0 0 1 1 1 0 0 1 1 0 1 0 2 1 0 0 2 2 1 0 2 1 0 2 2 1
0 2 0 1 1 2 1 2 0 0 3 3 2 2 1 3 0 3 1 4 1 0 0 4 2 4 0 1 2 3
2 0 1 0 3 2 2 1 3 4 1 0 3 4 4 3 0 2 5 0 1 2 5 2 0 1 6 3 2 4
526
Zeolites
16:323-602,
1996
A c=
18.767 A y = 90”
p = 90”
J. L. Schlenker, J. B. Higgins Zeolites 10, 293-296 (1990).
1
0
b = 14.1711
h
k
1
20
d
125 0 2 0 1 0 1 0 2 1 2 0 2 1 1 2 3 1 2 1 0 0 3 2 1 0 2 0 2 1 0
3 : 2 4 4 1 5 3 5 1 5 4 5 0 4 0 3 0 2 0 4 2 3 5 6 2 5 5 6 2
5 * 6 3 4 6 1 3 0 5 3 0 2 7 2 1 6 6 7 8 6 1 5 4 2 6 5 1 1 8
29.48 30.42 30.94 31.26 31.40 31.65 31.66 31.93 33.83 33.84 34.50 34.75 34.95 35.20 35.59 36.28 36.49 36.50 37.55 37.86 38.37 38.39 38.71 39.04 39.05 39.34 39.72 39.86 40.27 40.35 40.51
3.030 2.939 2.890 2.861 2.849 2.827 2.826 2.802 2.650 2.649 2.599 2.582 2.567 2.549 2.523 2.476 2.462 2.462 2.395 2.377 2.346 2.345 2.326 2.307 2.307 2.290 2.269 2.262 2.240 2.235 2.227
and E. W. Valyocsik,
PI 8
Ire1 5.7
4 8 4 8 4 8 4 8 4 8 4 4 8 4 8 4 8 4 8 2 4 8 8 8 4 8 4 8 8 4
3.8 0.7 0.7 0.8 0.3 0.3 2.6 0.9 0.8 0.3 0.8 0.3 2.0 0.4 0.9 1.2 1.3 1.1 1.6 0.3 0.2 0.1 3.7 1.7 0.1 0.3 0.2 0.4 0.2 0.4
h k
1
3 3 3 3 2 3 0 1 1 1 1 3 2 2 0 1 2 3 2 1 1 3 0 1 0 4 4 3 4
0 3 4 2 3 .5 9 7 8 6 9 5 8 6 8 0 2 3 5 9 5 6 3 2 9 0 1 2 2
3 2 1 3 5 0 1 4 3 5 0 2 0 4 4 7 6 4 5 2 6 1 7 7 3 0 1 5 0
28
d
41.06 41.13 41.63 42.22 42.61 43.70 43.89 44.07 44.82 44.84 45.15 45.63 45.70 45.72 46.42 46.48 46.54 46.98 47.00 47.03 47.07 47.16 47.19 47.54 47.67 48.89 49.60 49.77 49.91
2.198 2.195 2.169 2.140 2.122 2.071 2.063 2.055 2.022 2.022 2.008 1.988 1.985 1.984 1.956 1.954 1.951 1.934 1.933 1.932 1.931 1.927 1.926 1.913 1.908 1.863 1.838 1.832 1.827
i%l
Kre,
4 8 8 8 8 4 4 8 8 8 4 8 4 8 4 4 8 8 8 8 8 8 4 8 4 2 8 8 4
0.2 0.1 1.5 0.5 0.5 0.4 0.2 0.6 0.2 1.4 0.2 2.1 1.5 1.6 1.8 0.3 0.2 0.3 0.2 1.1 0.2 1.1 5.4 0.4 2.1 3.7 0.5 0.3 0.3
ZSM-57
SiO, framework
Zeolites
16:323-802,
1996
527
Montesommaite
COMPOSITION:
CRYSTAL
(Nao.lKJ.s)(Si11.3A14.7032).5HzO Pollena, Mt. Somma-Vesuvius,
DATA:
141/a& (No. a = 7.141 A a = 90”
REFERENCE:
k
1
20
d
A4
Ire,
hkl
1 1 0 2 2 2 1 2
0 1 0 0 0 1 0 1
1 2 4 0 2 1 5 3
13.41 20.36 20.53 24.94 27.01 28.42 28.66 32.03
6.601 4.361 4.327 3.570 3.301 3.141 3.115 2.794
8 8 2 4 8 16 8 16
81.3 13.5 43.9 0.5 100.0 57.0 37.4 20.7
2 1 3 2 1 2 3 2
Zeolites
16:323-802.
141) origin at centre (2/m) b = 7.141 A c = 17.307 w p = 90” y = 90”
R. C. Rouse, P. J. Dunn, J. D. Grice, J. L. Schlenker Am. Mineral. 75, 1415-1420, (1990).
h
528
Italy.
1996
2 1 0 1 0 0 1 2
0 6 1 5 7 6 2 4
and J. B. Higgins,
20
d
hf
Ire1
h k
1
20
d
35.56 35.85 38.16 38.35 38.53 40.19 41.32 41.41
2.525 2.505 2.358 2.347 2.336 2.244 2.185 2.181
4 8 8 16 8 8 16 8
13.5 1.4 0.3 17.5 4.8 2.3 1.2 11.1
0 3 3 2 3 1 2
8 4 5 7 3 9 8
41.75 45.30 46.29 46.45 48.60 49.06 49.25
2.163 2.002 1.961 1.955 1.873 1.857 1.850
0 1 0 1 2 0 0
A4 Ire, 2 16 8 16 16 8 8
8.8 4.3 0.1 0.2 3.8 3.7 0.3
MON
Montesommaite
Zeolites
16:323-602,
1996
529
MOR
Mordenite
COMPOSITION:
Nag(Si40A180gs).24HaO Challis, Idaho, 1J.S.A.
CRYSTAL
Cmcm (No. 63) u = 18.11 A b = 20.53 A /jj zz 90” Q = 90”
DATA:
V. Gramlich, PhD dissertation, And V. Gramlich,
REFERENCE:
h
k
1
1 0 2 2 1 1 0 3 0 2 1 3 4 3 2 0 4 1 3 2 0 4 1 5 1 0 2 0 3 2 1 5 5 2 3 0 4 3 0
1 2 0 2 1 3 2 1 4 2 3 1 0 3 4 4 2 5 3 4 0 2 1 1 5 2 0 6 5 2 3 1 3 6 1 6 4 5 4
0 0 0 0 1 0 1 0 0 1 1 I 0 0 0 1 0 0 1 1 2 1 2 0 1 2 2 0 0 2 2 1 0 0 2 1 1 1 2
530
28 6.51 8.61 9.77 13.04 13.45 13.83 14.59 15.30 17.28 17.59 18.19 19.34 19.61 19.61 19.88 20.95 21.45 22.20 22.92 23.16 23.64 24.53 24.54 24.96 25.19 25.20 25.63 26.04 26.25 27.09 27.49 27.67 27.87 27.87 28.28 28.66 28.85 28.85 29.43
Zeolites
d
hf
13.581 10.265 9.055 6.791 6.584 6.402 6.071 5.791 5.133 5.042 4.877 4.590 4.528 4.527 4.465 4.241 4.142 4.004 3.880 3.840 3.764 3.629 3.627 3.567 3.535 3.534 3.476 3.422 3.395 3.292 3.245 3.223 3.201 3.201 3.156 3.115 3.095 3.095 3.035
4 2 2 4 8 4 4 4 2 8 8 8 2 4 4 4 4 4 8 8 2 8 8 4 8 4 4 2 4 8 8 8 4 4 8 4 8 8 4
16:323-602,
1996
Jr el 100.0 13.1 56.4 0.3 40.4 29.1 13.3 9.5 0.6 2.3 4.4 3.2 1.4 22.7 0.6 1.4 5.7 46.1 1.0 16.9 6.9 4.5 0.3 2.3 0.3 4.3 75.7 5.0 43.5 4.7 12.6 46.1 28.8 0.1 4.0 2.7 3.3 0.5 0.2
hkl 5 2 6 4 3 2 1 5 6 1 3 5 7 0 5 4 3 2 1 6 5 2 0 7 0 7 6 2 1 7 6 5 8 0 4 8 7 2 6
ETH, Zurich, (1971). private communication.
20 3 6 2 0 3 4 5 5 2 7 7 1 1 8 5 4 5 8 1 4 3 6 2 1 8 3 0 2 3 3 2 7 0 4 8 2 5 4 6
c = 7.528 .fi y = 90”
1 30.34 1 30.34 0 30.88 2 30.89 2 30.89 2 31.08 2 32.65 0 32.98 1 33.15 1 33.15 0 33.98 2 34.65 0 34.95 0 34.96 1 35.12 2 35.61 2 35.61 0 36.39 3 36.41 1 36.54 2 36.86 2 36.86 3 36.87 1 37.00 1 37.01 0 37.15 2 38.22 3 38.24 3 38.53 1 39.10 2 39.25 0 39.54 0 39.82 3 39.99 0 40.40 0 40.82 0 41.24 3 41.27 1 41.67
d
hf
2.946 2.946 2.896 2.894 2.894 2.878 2.743 2.716 2.703 2.702 2.638 2.589 2.567 2.566 2.555 2.521 2.521 2.469 2.468 2.459 2.439 2.438 2.438 2.430 2.429 2.420 2.355 2.354 2.336 2.304 2.295 2.279 2.264 2.254 2.233 2.211 2.189 2.188 2.168
8 8 4 4 8 8 8 4 8 8 4 8 4 2 8 8 8 4 8 8 8 8 4 8 4 4 4 8 8 8 8 4 2 4 4 4 4 8 8
IId
0.3 5.5 2.0 12.9 8.8 0.2 3.2 0.6 2.8 6.6 1.6 0.6 0.2 5.4 0.5 0.6 15.5 1.3 1.2 5.3 1.2 1.8 0.2 0.4 0.5 0.1 0.1 0.4 0.7 0.2 0.4 1.1 0.1 0.1 2.2 0.4 0.3 2.2 1.4
hkl 3 4 6 3 0 2 0 3 5 7 0 4 9 8 5 2 6 5 9 2 9 5 4 6 1 7 0 7 4 5 1 1 3 4 5 2 8
7 2 4 9 8 8 10 9 1 3 6 4 1 4 3 6 8 7 11 10 3 9 8 2 7 5 0 7 10 9 1 11 9 6 5 0 6
2 3 2 0 2 2 0 1 3 2 3 3 0 1 3 3 0 2 1 0 0 2 3 3 2 4 1 0 1 4 0 2 3 3 4 1
20
d
41.81 42.10 42.22 42.36 42.64 43.85 44.11 -14.11 44.13 44.51 44.79 14.92 45.28 45.41 45.95 45.95 46.44 46.58 .16.95 36.96 -17.07 47.08 47.:3-l 47.97 47.98 48.08 48.36 48.45 48.70 48.70 48.85 49.07 49.08 49.33 49.45 49.46 49.79
2.160 2.146 2.140 2.134 2.120 2.065 2.053 2.053 2.052 2.036 2.024 2.018 2.003 1.997 1.975 1.975 1.955 1.950 1.935 1.935 1.930 1.930 1.920 1.896 1.896 1.892 1.882 1.879 1.870 1.870 1.864 1.857 1.856 1.847 1.843 1.843 1.831
*bf Ire1 8 8 8 4 4 8 2 8 8 8 4 8 4 8 8 8 4 8 8 8 4 4 8 8 8 8 2 8 4 8 8 4 8 8 8 4 8
1.8 0.5 0.2 0.3 0.5 0.5 5.3 0.8 0.6 3.3 0.3 3.9 0.5 2.9 0.8 0.7 7.5 0.6 1.8 0.2 0.9 0.2 5.2 0.6 1.1 0.7 9.4 0.5 0.1 2.5 1.2 0.5 0.5 0.4 0.1 0.3 0.1
Mordenite
Zeolites
16:323-802,
1996
531
MOR
Maricopaite
(Pb7Caz)(SissAllz(O, OH)l00).28H20
COMPOSITION:
Moon Anchor Mine, Tonopah, AZ, U.S.A. Interrupted MOR framework. CRYSTAL
DATA:
Cm2m (No. 38) cab setting a = 19.432 A b = 19.702 A a = 9o” p = 90”
REFERENCE:
h
k
0 1 0 2 2 0 2 1 101 2 2 111 0 3 2 3 0 4 3 01 4 0 311 410 2 4 4 2 141 0 5 4 3 0 0 0 12 2 5 0 2 2 0 2 12
532
R. C. Rouse and D. R. Peacor, Am. Mineral. 79, 175-184 (1994).
1
28
d
M
I rel
h
k
0 0 0
4.48 8.98 9.10 10.15 12.60 12.80 13.38 13.48 16.29 18.01 18.06 18.26 18.61 18.81 20.21 20.38 22.04 22.56 22.77 23.60 24.04 24.38 25.30 25.35 25.75
19.702 9.851 9.716 8.714 7.028 6.918 6.619 6.567 5.441 4.926 4.913 4.858 4.767 4.717 4.393 4.357 4.033 3.940 3.906 3.769 3.702 3.651 3.520 3.514 3.459
2 2 2 4 4 4 8 2 4 2 4 2 8 4 4 4 8 2 4 2 4 4 4 4 8
100.0 2.0 7.5 4.3 0.4 2.1 0.3 0.4 0.3 0.2 0.2 0.6 0.2 1.4 1.0 1.5 0.2 0.2 1.3 0.2 0.2 1.1 0.4 0.9 1.4
4 1 2 0 0 5 6 2 2 4 0 4 4 6 2 4 5 0 4 6 2 6 6 6 8
4 0 5 1 2 2 6 0 3 2 2 1 1 0 6 0 3 2 5 0 4 2 0 2 1 2 3 0 4 2 2 2 4 1 5 2 3 2 4 0 5 2 5 0 0 2 1 2 0 0
0
0 0 0 0 0 0 0 0 0 2 0 2 2
Zeolites
16:323-602,
1996
c = 7.538 w y = 90”
1
28
d
M
Ire,
h
k
1
20
d
M
Ire,
25.76 25.92 26.94 27.16 27.28 27.36 27.92 28.70 28.82 29.18 29.85 30.01 30.36 30.78 31.27 31.38 31.64 32.88 33.03 33.10 34.19 35.89 36.58 36.87 37.01
3.459 3.437 3.310 3.284 3.269 3.260 3.196 3.111 3.098 3.060 2.993 2.978 2.944 2.905 2.861 2.850 2.828 2.724 2.712 2.706 2.623 2.502 2.456 2.438 2.429
4 8 8 2 4 8 4 4 8 4 4 4 8 4 8 8 8 4 8 4 8 4 4 8 2
0.5 0.2 1.2 0.6 0.9 0.1 0.2 0.4 0.8 0.2 0.5 1.8 2.9 0.4 0.3 1.5 0.1 0.2 0.3 0.4 0.3 0.2 0.8 0.9 0.2
8 2 6 4 8 8 4 8 8 8 2 8 4 8 10 10 0 8 0 0 2 2 2
1 6 2 5 2 3 8 4 0 1 8 2 9 3 0 1 9 4 0 1 9 0 1
0 2 2 2 0 0 0 0 2 2 2 2 0 2 0 0 2 2 4 4 2 4 4
37.30 37.49 37.74 37.87 38.16 39.56 41.09 41.45 44.37 44.62 44.95 45.36 45.44 46.58 46.75 46.99 48.06 48.25 48.29 48.53 49.03 49.25 49.48
2.411 2.399 2.383 2.376 2.358 2.278 2.197 2.179 2.042 2.031 2.017 1.999 1.996 1.950 1.943 1.934 1.893 1.886 1.884 1.876 1.858 1.850 1.842
4 8 8 8 4 4 4 4 4 8 8 8 4 8 2 4 4 8 2 4 8 4 8
0.4 0.3 0.4 0.1 0.3 0.2 0.1 0.1 0.2 0.4 0.1 0.2 0.2 0.1 0.2 0.2 0.1 0.1 0.4 0.4 0.2 0.2 0.2
MOR
Maricopaite
Zeolites
16:323-602,
1996
533
MTN
Dodecasil
COMPOSITION:
(S imOm).(Nz,
CRYSTAL
Fd3 (No. 203) origin at centre (5) a = 19.402 I% b = 19.402 A c = 19.402 p\
DATA:
REFERENCE:
H. Gies, Z. Kristallogr.
h
k
1
20
d
M
Ire,
hkl
1 2 3 2 4 3 4 3 5 4 5 5 4 6 6 5
1 2 1 2 0 3 2 3 1 4 1 3 4 0 2 3
1 0 1 2 0 1 2 3 1 0 3 1 2 2 0 3
7.89 12.91 15.14 15.82 18.29 19.95 22.45 23.83 23.83 25.98 27.19 27.19 27.58 29.11 29.11 30.20
11.202 6.860 5.850 5.601 4.850 4.451 3.960 3.734 3.734 3.430 3.279 3.279 3.234 3.068 3.068 2.959
8 12 24 8 6 24 24 8 24 12 24 24 24 12 12 24
43.4 55.2 100.0 52.1 27.2 16.3 29.2 21.7 67.1 35.3 40.9 40.5 6.0 6.0 5.9 7.0
6 5 7 5 7 7 8 7 6 6 8 5 7 7 6 8
Zeolites
16:323-802,
1996
Ar, CH4)x.(N(CH3)3,
$ = 90”
a = 90”
534
3C
2 2 5 1 1 1 5 3 1 3 3 1 0 0 3 3 4 4 6 0 2 2 5 5 1 5 5 1 6 2 0 4
C02jy
y = 90”
167, 73582 (1984).
20
d
30.56 32.97 32.97 35.54 35.54 35.54 37.07 37.96 38.25 39.41 39.41 40.25 40.25 40.25 40.53 41.63
2.925 2.717 2.717 2.526 2.526 2.526 2.425 2.370 2.353 2.286 2.286 2.240 2.240 2.240 2.226 2.169
Af 24 24 24 24 24 24 6 24 24 12 24 8 24 23 24 12
IreI 0.1 1.5 0.2 2.6 2.4 2.4 0.8 11.0 0.6 9.4 13.0 3.4 0.4 0.4 0.9 1.0
hkl 8 7 7 8 7 7 9 8 8 7 9 9 6 10
4 3 5 4 5 7 3 2 6 7 1 5 6 2
0 5 3 4 5 1 3 6 2 3 5 1 6 2
20
d
IfI
Ire1
41.63 42.44 42.44 45.82 46.57 46.57 46.57 47.81 47.81 48.54 48.54 48.54 48.78 48.78
2.169 2.130 2.130 1.980 1.950 1.950 1.950 1.903 1.903 1.876 1.876 1.876 1.867 1.867
12 24 24 24 24 24 24 24 24 24 24 24 8 24
1.0 0.2 0.2 2.3 0.1 2.5 1.9 0.6 0.6 0.2 0.1 0.1 2.9 Fj.9
Dodecasil
MTN
3C
i
Zeolites
16:323-602,
1996
535
MTT
Ammonium
COMPOSITION:
(Si2404s). 1.72NH4F
CRYSTAL
P1211 (No. 4) unique axis b a = ll.i29 A’ b i 5.025 A a = 90” ,B = 89.85”
DATA:
REFERENCE:
hkl
26
0 1
0 0
1 0
0 1 -1 1 -1 0 1 -1 2 2 0 -2 0 1 -1 1 0 1 -1 2 -2 1 -1 0 1 -1 2 -2 1 -1 2 3 2 -2 3 -3 0 2 -2 3 -3 1 -1
0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 0 0 1 1 1 0 0 0 0 1 1 1 0 1 1 0 0 0 1 1 0 0 1 1
2 1 1 2 2 3 3 3 0 1 4 2 1 4 4 0 2 1 1 3 3 2 2 3 5 5 4 4 3 3 0 0 1 1 1 1 6 2 2 2 2 4 4
536
4.11 7.94 a.22 8.94 8.96 11.42 11.45 12.34 14.67 14.71 15.93 16.44 16.48 17.97 18.13 18.30 18.34 19.38 19.50 19.82 19.82 20.17 20.22 21.07 21.09 21.59 22.12 22.16 22.96 23.02 23.03 23.05 23.86 23.99 24.21 24.23 24.34 24.36 24.82 25.26 25.29 25.38 25.42 25.53 25.56
Zeolites
fluoride
d 21.519 11.129 10.759 9.896 9.875 7.746 7.725 7.173 6.036 6.022 5.565 5.391 5.380 4.937 4.893 4.848 4.839 4.580 4.553 4.480 4.478 4.402 4.391 4.216 4.212 4.116 4.018 4.011 3.873 3.863 3.862 3.858 3.729 3.710 3.676 3.673 3.657 3.654 3.587 3.526 3.522 3.510 3.504 3.489 3.485
16:323-802,
ZSM-23
c = 21.519 A y = 90”
B. Marler, C. Deroche, H. Gies, C. A. Fyfe, H. Grondey, Y. Feng, S. Ernst, J. Weitkamp and D. E. Cox, J. Appl. Cryst. 26, 636-644 (1993). M
I rel
2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 2 2 4
0.2 81.9 100.0 21.8 19.0 33.2 26.0 0.1 2.7 4.9 8.8 0.2 9.4 0.3 2.7 3.7 3.4 0.2 0.4 34.1 30.2 5.2 4.9 30.6 27.0 8.4 0.7 1.4 17.1 18.4 24.7 25.2 2.2 25.6 21.0 25.8 4.2 4.2 44.1 5.9 7.0 11.6 12.3 3.7 7.7
4 4 2 2 2 2 4 4 4 2 4 4 2 2 2 4 4 2 2 4 4
1996
h 1 -1 2 -2 2 -2 0 1 -1 2 -2 3 -3 2 -2 3 1 -1 3 -3 0 3 -3 1 -1 2 -2 3 -3 4 3 -3 4 -4 0 -2 0 1 -1 3 -3 2 -2 3 -3
k 0 0 0 0 1 1 1 1 1 1 1 0 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 0 0 0 1 1 0 0 0 0 1 0 0 1 1 1 1 0 0
1 6 6 5 5 3 3 5 5 5 4 4 4 4 6 6 0 7 7 1 1 6 2 2 6 6 5 5 5 5 0 3 3 2 2 8 7 7 8 8 4 4 6 6 6 6
20
d
M
26.08 26.12 26.14 26.21 26.93 26.96 27.28 28.44 28.47 29.11 29.16 29.21 29.28 29.60 29.67 29.94 30.14 30.18 30.22 30.24 30.62 31.08 31.11 31.67 31.70 31.72 31.78 31.80 31.89 32.17 32.47 32.52 33.24 33.28 33.31 33.33 34.19 34.28 34.32 34.33 34.39 34.67 34.73 34.75 34.84
3.416 3.411 3.409 3.400 3.311 3.307 3.269 3.138 3.135 3.068 3.062 3.058 3.050 3.018 3.011 2.984 2.965 2.961 2.957 2.955 2.919 2.878 2.874 2.825 2.822 2.821 2.816 2.814 2.806 2.782 2.758 2.753 2.695 2.692 2.690 2.688 2.622 2.616 2.613 2.612 2.608 2.587 2.583 2.582 2.575
2 2 2 2
4 4
4
2 2 2 4 4 2 2 2 2 4 2 2 4 4 4 2 2
I rel
h
k
4.6 4.7 18.1 14.1 1.6 0.5 3.7 4.8 5.0 1.2 2.0 0.3 0.4 2.3 2.4 0.6 0.3 0.5 3.3 0.4 0.4 0.3 1.6 3.3 1.3 0.9 1.9 5.9 4.5 2.1 0.9 1.0 0.5 0.4 0.6 0.2 0.3 0.8 0.6 1.7 1.0 0.3 1.4 0.2 0.2
1 -1 0 4 -4 3 1 -3 0 1 -1 4 2 -2 4 -4 1 -1 4 2 -4 0 0 -2 1 1 -1 -1 4 -4 2 2 -2 0 -1 5 4 -4 -5 4 2 -2 3 -2 -5
1 1 2 0 0 1 2 1 2 2 2 1 0 0 1 1 2 2 1 1 1 1 2 1 1 2 2 1 1 1 2 2 2 2 2 0 1 1 0 0 1 2 0 1 0
1 7 7 0 4 4 5 0 5 2 1 1 0 8 8 1 1 2 2 2 7 2 8 3 7 8 3 3 8 3 3 0 1 1 4 4 0 4 4 1 6 8 3 8 8 2
28 35.14 35.18 35.74 36.31 36.39 36.60 36.67 36.68 36.73 36.91 36.92 36.93 37.08 37.16 37.16 37.18 37.64 37.65 37.88 37.90 37.92 37.94 37.94 37.96 38.81 38.82 38.84 38.84 39.05 39.11 39.35 39.57 39.58 39.59 40.45 40.53 40.65 40.72 40.77 41.00 41.35 41.40 41.41 41.42 41.45
G. T. Kokotailo,
d
M
I rel
2.554 2.551 2.513 2.474 2.469 2.455 2.451 2.450 2.447 2.435 2.435 2.434 2.424 2.419 2.419 2.418 2.390 2.389 2.375 2.374 2.373 2.371 2.371 2.370 2.320 2.320 2.319 2.318 2.307 2.303 2.290 2.277 2.277 2.276 2.230 2.226 2.220 2.216 2.213 2.201 2.183 2.181 2.180 2.180 2.179
4 4 2 2 2
0.3 0.7 24.9 0.3 0.5 2.8 1.1 5.0 2.0 0.5 0.5 6.0 0.2 0.1 2.1 0.9 1.1 0.4 1.3 2.6 2.0 0.6 0.2 2.5 4.8 0.2 0.3 2.4 2.0 1.8 0.1 0.2 0.4 0.2 0.2 0.3 0.6 0.4 0.1 0.3 0.5 0.2 0.5 0.5 0.2
4 4 4
2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 2 2 4 4 2 4 2
Ammonium
fluoride
ZSM-23
-J 3 -7
Zeolites
16:323-602,
1996
537
MTW
Calcined
COMPOSITION:
si560112
CRYSTAL
Cl 2/c 1 (No. 15) unique axis b, cell choice 1 a = 24.8633 A b = 5.01238 A c = 24.3275 A cr = 90” ~3 = 107.7215” y = 90”
DATA:
C. A. Fyfe, H. Gies, G. T. Kokotailo, B Marler J. Physl Chem. 94: 3718-3721, (1990).
REFERENCE:
h
k
1
28
2 0 -2 2 -2 4
0 0 0 0 0
0 2 2 2 4
7.47 7.63 8.91 12.21 14.84
0 0 1 1
0 4 0 1
0 0
2 4
1 1 1 1
2 2 3 0
14.96 15.29 18.09 18.73 18.79 18.99 19.20 20.10 20.84 20.99
1 0 0
2 2 6
1
1 1
1 3
21.93 21.96 22.07
-3 6
1 0
3 0
22.25 22.52
-1
1
4
23.01
0 -6 -4 3 -3 1 4 -5 -5 3 5 -5 6 -3 2 -6 5 -5 3 -1 5 -3
0 0 0 1 1 1 0 1 1 1
6 4 6 2 4 4 4 1 2 3
23.03 23.08 23.36 23.53 23.93 24.51 24.55 25.30 25.30 25.60
1
0
25.88
1 0 1 0 0 1
3 2 5 6 6 1
25.90 25.97 26.10 26.36 26.94 27.01
0 1 1
4 2 -1 1 -1
3 -3 -6 -2 3
21.14 21.46
1
4
27.04
1 1 1 1
4 6 2 6
28.07 28.50 28.64 28.64
538
Zeolites
ZSM-12
d 11.842 11.586 9.929
7.252 5.970 5.921 5.793 4.904
4.737 4.722 4.673 4.622 4.417 4.263 4.232 4.202 4.141 4.053 4.048 4.027 3.996 3.947 3.865 3.862 3.853 3.808 3.781 3.718 3.632 3.626 3.520 3.519 3.480 3.443 3.440 3.431 3.415 3.381 3.310 3.301 3.297
M
I rel
hk
2 2 2 2 2 2 2 4 4 2 2 4 4 4 4
78.3 100.0 63.5 5.0 7.6 0.4 8.3 0.2 0.9 8.7 3.8 6.9 4.4 0.4 74.8
-8 -8 -2 -4 80
1.0
2 2 4 4 4 2 4 2 2 2 4 4 2 4 4
16:323-802.1996
1.1 2.1
0.4 1.9 5.9 1.1 1.3 10.0
2.5 0.5 1.1 11.6 7.9
3.179
3.132 3.117 3.117
2.8 1.4 2.2 0.7 0.4 6.9 0.5 18.5 9.6 22.2
4 4 4
0.2 5.5 5.9 1.0 0.7 0.3
1 0 0 0 0
11 513
-7 1 712 -1 1 515
-5 1 02 02 -8 0 0 1
-7 -2 2 22 02 -2 2 11 -4 0 31 22 -9 -9 -9
1 1 1
-2 -10 -9 -1 40
2 0 1 1
28.76 29.41 29.43 29.93 30.19
30.35 30.68 6 30.73 30.85 2 30.86 4 31.06 3 31.06 7 31.64 31.91 8 32.29 5 32.89 1 33.13 2 33.44 6 33.88 6 34.46 34.76 8 34.97 35.76 8 35.83 0 35.83 1 36.05 8 36.19 2 36.33 7 36.39 1 36.61 0 36.65 2 36.69 2 36.99 8 37.03 10 37.11 7 37.11 1 37.11 3 37.18 2 37.26 4 37.52 3 37.79 6 38.05 5 38.28 9 38.45 8 38.53 6
-5 1 315 -7 1 60 -7 1 -1 1 710 -6 0 -7 1 71 80 31
-10
2 4 8 8 0
26,
d 3.104 3.037 3.035 2.985 2.960 2.945 2.914 2.909 2.898 2.898
2.880 2.879 2.828 2.804 2.772 2.723 2.704 2.679 2.646 2.603 2.581 2.566 2.511 2.506 2.506 2.492 2.482 2.473 2.469 2.454 2.452 2.450 2.430 2.428 2.423 2.423 2.422 2.418 2.413 2.397 2.381 2.365 2.351 2.341 2.336
12f Ire, 2 2 2 2 2 4 4 4 4 4 2 4 4 4 2 4 4 2
4 4 4 4 4 4 2 4
0.4 2.0 4.0 0.4 0.1
0.2 0.2 0.1 0.4 1.3 3.8 2.6 0.6 0.7 0.4 1.7 1.8
0.6 3.0 1.5 2.6 0.9 0.6 2.0 9.4
2
0.1 0.1
2
0.2
4 4 4 4 4 4 2 4 4 4 4 4 4 2 4 4 2
1.0
0.6 0.3 1.3 0.9 0.6 1.7 1.4 0.1
0.7 0.2 0.5 1.0
0.4 0.2 0.5 0.5
and D. E. Cox,
h k
1
20
d
hf
IreI
9 -7 5 -4 -5 4 7 0 2 -4
0 8 6
38.64 38.64 38.70
2.330 2.330 2.327 2.324 2.323 2.308 2.306 2.300 2.296 2.287 2.286 2.258 2.227 2.209 2.205 2.189 2.189 2.174 2.169 2.159 2.154 2.148 2.144 2.143 2.131 2.116 2.113 2.102 2.101 2.094 2.081 2.077 2.066 2.060 2.060 2.056 2.056 2.047 2.046 2.037 2.027 2.025 2.019 2.005 2.005
4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 2 4 4 2 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 2 2 4 2 4
1.2 0.2 1.1 0.2 1.6 0.2 0.2
-9
9 3 2
1 1 1
2 1 2 1 2 2 2 1
1 1
2
1
38.75
9 0 4 4 3 3 6 1 8 4
38.76 39.03 39.06 39.16 39.24 39.40 39.42 39.92 40.51 40.86 40.92
-9
1
7
-10 -3 -8 7 5 2
0
8
1
10
41.25
0
10 5
41.54 41.64
7 10 10
41.83 41.94 42.06
-1
1 1 0 1
-6 4 -6 6 2 0 -6 -4
2 2 2 2 2 2 2 2
91
6 8
2 0
-11
1
-7 -11 -6 -11 1 -11 -4 -12
1 1 2 1 1 1 0 0
-11
-2 -5
2 3 3 0 5 6 4 6 3
41.24
42.15 42.17 42.41 42.74 42.80 43.02 43.05 43.21 43.49
1
43.58
6 3 10 4 5 2 10 5 12 6
43.83 43.96 43.96 44.04 44.05 44.24 44.27 44.48 44.71 44.76
1
1
44.88
0
12
45.22
1
11
45.22
0.1
0.5 0.1
0.4 2.0 0.3 0.2 0.3 0.9 0.3 0.4 0.3 0.3 0.6 0.2 0.3 0.3 0.3 0.7 0.1
0.7 0.3 0.4 0.2 0.1
0.4 0.3 0.1 1.0 0.2 0.1
0.2 0.3 4.8 0.2 0.7 0.2 0.1
Calcined
MTW
ZSM-12
Zeolites
16:323-802,
1996
539
NAT
Natrolite
COMPOSITION:
Na16(Si24A116080).l6H20 Aussig, Bohemia.
CRYSTAL
Fdd2 (No. 43) a = 18.30 A a = 90”
DATA:
REFERENCE:
h
k
2 1 0 4 1 3 2 4 3 4 1 5 0 2 2 2 6 3 5
2 1 4 0 3 1 4 2 3 4 5 1 2 0 2 6 2 5 3
540
1 0 1 0 0 1 1 0 0 1 0 1 1 2 2 2 0 0 1 1
Zeolites
28 13.56 15.04 19.05 19.40 20.22 20.39 21.41 21.64 24.50 27.32 27.93 28.29 28.70 28.76 30.35 30.40 30.85 31.22 31.44
W. M. Meier, Z. Kristallogr.
d
A4
I Id
h
k
6.528 5.890 4.657 4.575 4.391 4.356 4.151 4.106 3.633 3.264 3.195 3.155 3.111 3.104 2.945 2.940 2.899 2.865 2.845
4 8 2 2 8 8 4 4 8 4 8 8 4 4 8 4 4 8 8
59.6
2 4 4 6 1 7 0 4 3 8 7 0 2 6 8 2 6 6 1
4 2 6 4 7 1 8 4 7 0 3 6 8 0 2 6 2 6 1
16:323-802,
1996
100.0
24.9 16.0 40.5 47.2 22.5 13.6 1.6 3.2 32.0 37.3 11.5 13.8 33.4 2.6 3.8 61.7 54.9
b = 18.63 ii p = 90”
113, 430-444
1 2 2 0 0 1 1 0 2 1 0 1 2 0 2 0 2 2 0 3
28
d
34.73 34.88 34.92 35.17 36.74 37.31 38.66 38.81 39.38 39.39 39.83 39.86 39.95 40.26 40.61 41.12 41.46 41.50 41.63
2.583 2.572 2.569 2.552 2.446 2.410 2.329 2.320 2.288 2.287 2.263 2.261 2.257 2.240 2.222 2.195 2.178 2.176 2.169
c = 6.60 A y = 90”
(1960).
iv Ire1 8 8 4 4 8 8 2 8 8 2 8 4 4 4 4 8 8 4 8
7.5 12.2 0.7 1.3 15.7 15.3 3.0 5.5 1.3 2.1 0.6 5.2 1.1 3.0 1.7 12.5 10.3 4.3 0.6
h
k
1
4 1 3 8 5 7 4 6 1 3 9 1 3 5 2 9 8 2
8 3 1 4 7 5 6 4 9 33 1 5 9 1 8 3 2 10
0 3 3 0 1 1 2 2 1 1 3 1 3 2 1 2 0
28 43.61 43.94 44.02 44.11 44.26 44.50 44.70 44.90 46.23 46.24 47.01 48.30 48.44 48.53 48.89 49.12 49.46 49.96
d 2.075 2.060 2.057 2.053 2.046 2.036 2.027 2.019 1.964 1.963 1.933 1.884 1.879 1.876 1.863 1.855 1.843 1.826
A4 Ire1 4 8 8 4 8 8 8 8 8 8 8 8 8 8 8 8 8 4
0.6 2.1 1.9 1.6 0.2 0.2 0.4 0.6 1.5 3.2 1.1 4.3 0.8 6.0 0.8 0.6 1.7 6.1
Natrolite
J
Zeolites
16:323-802,
1996
641
NAT
Gonnardite
COMPOSITION:
(Na6,42Ko.olCal.50)(Silo.73Al~.22~~~)~12.37~~~
Tvedalen, Langesund District. CRYSTAL
DATA:
REFERENCE:
2 1 2 2 3 4 3 1 2 4 4
542
0 0 2 1 1 0 2 1 0 2 1
0 1 0 1 0 0 1 2 2 0 1
20
d
AI
Ire1
6.605 5.920 4.670 4.408 4.177 3.303 3.206 3.121 2.960 2.954 2.884
4 8 4 16 8 4 16 8 8 8 16
23.6 62.1 31.9 49.8 17.5 2.1 46.6 17.2 33.4 4.4 100.0
Zeolites
16:323-802,
1996
I42d (No. 122) a = 13.21 A b = 13.21 A Q = 90” p = 90”
c = 6.622 ii “, = 90”
F. Mazzi. A. 0. Larsen, G. Gottardi and E. Galli, Neues Jarhb. Mineral. Monatsh. 219-228 (1986).
13.41 14.97 19.00 20.14 21.27 27.00 27.83 28.60 30.19 30.26 31.01
hkl
Norway.
hkl 3 5 4 4 4 5 3 5 4 6 1
20 1 1 3 0 4 2 3 3 2 0 0
2 34.57 0 34.62 1 36.62 2 38.50 0 38.55 1 39.16 2 39.74 0 39.79 2 40.94 0 40.99 3 41.47
d 2.595 2.591 2.454 2.338 2.335 2.300 2.268 2.266 2.204 2.202 2.177
M
Ire1
16 8 16 8 4 16 8 8 16 4 8
15.2 4.8 21.9 4.6 5.1 3.0 8.7 1.0 19.7 6.0 0.4
h k
1
26,
6 2 6 5 3 5 3 6 5 6
0 3 1 2 3 1 3 1 2 0
43.32 43.78 43.87 44.40 45.99 46.08 48.12 48.21 48.70 49.77
2 1 1 1 0 4 2 3 3 4
d
M
Ire1
2.089 2.068 2.064 2.040 1.973 1.970 1.891 1.888 1.870 1.832
8 16 16 16 8 16 16 16 16 8
1.4 3.1 0.3 0.3 3.0 2.7 7.4 1.5 2.1 9.8
NAT
Gonnardite
/ > ,
Zeolites
16:323-802,
1996
543
NAT
Mesolite
COMPOSITION:
CRYSTAL
(Na16Ca16)(Si72A1480240).64H20 Poona, India.
DATA:
Fdd2 (No.
43)
a = 18.4049 A a = 90”
G. Artioli, J. V. Smith and J. J. Pluth, Acta Cryst. C42, 937-942 (1986).
REFERENCE:
h
k
1
28
0
4 2 4 8 6 1 3 8 5 7 12 0 1 9 4 3 12 5 6 11 7 8 14 9 10 13 11 16 12 2 15 1 3 13 6 5 0 2 2 14 4 4 7 18 17
0 0 0 0 0 1 1 0 1 1 0 0 1 1 0 1 0 1 0 1 1 0 0 1 0 1 1 0 0 2 1 1 1 1 2 1 2 2 0 0 2 0 1 0 1
6.24 10.11 11.47 12.50 13.44 14.45 15.11 15.79 16.37 18.09 18.80 19.29 19.90 20.16 20.29 20.39 21.15 21.34 21.48 22.49 22.70 23.05 24.02 24.40 24.93 25.02 26.38 26.98 27.06 27.44 27.70 27.85 28.21 28.59 28.88 28.92 28.96 29.14 29.28 29.39 29.65 29.80 29.96 30.00 30.49
2 2 0 2 1 1 2 1 1 0 4 3 1 4 3 2 3 4 1 3 4 2 3 4 1 3 2 4 0 1 5 5 3 0 5 2 2 6 4 2 6 5 2 1
544
Zeolites
d 14.164 8.752 7.717 7.082 6.590 6.130 5.862 5.612 5.416 4.905 4.721 4.601 4.462 4.405 4.376 4.355 4.201 4.163 4.136 3.953 3.917 3.858 3.704 3.648 3.572 3.559 3.378 3.305 3.295 3.251 3.221 3.203 3.163 3.122 3.092 3.087 3.083 3.065 3.050 3.039 3.013 2.998 2.983 2.978 2.932
16:323-602,
c = 6.5443 -k y = 90”
b = 56.655 A p = 90”
M
I rel
h
k
2 4 4 2 4 8 8 4 8 8 2 2 8 8
2.2 0.8 0.9 0.5 65.9 13.1 100.0 0.3 14.4 2.9 40.0 26.7 8.7 42.3 0.5 50.1 20.4 3.7 11.5 4.7 6.7 2.4 1.1 1.4 0.7 0.3 5.2 1.5 2.0 1.6 28.3 1.2 38.4 1.6 14.1 0.4 13.9 2.1 0.3 0.3 2.1 1.3 5.5 4.2 2.5
2 6 3 5 0 0 2 6 4 5 2 2 6 3 4 4 4 5 2 6 4 0 4 3 2 1 2 5 6 7 7 4 4 7 0 7 2 4 6 5 3 8 8 1 2
6 6 15 9 10 20 8 8 16 11 10 20 10 17 2 4 18 13 12 12 6 14 8 19 22 21 14 15 14 1 3 10 20 5 24 7 16 12 16 17 21 0 2 23 24
8 4 8 4 8 8 4 4 8 4 8 8 4 4 4 8 8 8 8 4 8 4 8 4 4 8 4 8 4 8
1996
1 2 0 1 1 2 0 2 0 0 1 2 0 0 1 2 2 0 1 2 0 2 2 2 1 0 1 2 1 0 1 1 2 0 1 0 1 2 2 0 1 1 0 0 1 0
28 30.50 30.64 30.98 31.29 31.57 31.58 31.65 31.79 31.89 32.89 33.08 33.09 33.21 33.52 33.76 34.22 34.52 34.72 34.75 34.88 34.96 35.27 35.99 36.20 36.22 36.35 36.64 36.75 36.76 36.88 37.16 37.27 37.27 37.72 38.12 38.54 38.72 38.78 38.84 38.97 38.98 39.16 39.29 39.39 39.41
d 2.931 2.917 2.887 2.859 2.834 2.833 2.827 2.815 2.806 2.723 2.708 2.707 2.697 2.673 2.655 2.621 2.598 2.584 2.581 2.572 2.566 2.544 2.496 2.482 2.480 2.472 2.452 2.445 2.445 2.438 2.420 2.413 2.412 2.385 2.361 2.336 2.325 2.322 2.318 2.311 2.311 2.301 2.293 2.287 2.287
M
Ire1
h
k
8 4 8 8 4 2 8 4 4 8 8 4 4 8 8 8 4 8 8 4 8 4 8 8 4 8 8 8 4 8 8 8 4 8 2 8 8 8 4 8 8 2 4 8 4
51.0 5.6 99.2 79.3 1.4 0.2 2.0 1.2 0.1 2.9 0.2 0.7 0.6 1.3 0.2 0.9 1.0 1.5 5.9 1.9 7.9 0.8 0.7 1.0 0.3 13.7 1.0 0.4 1.3 0.5 15.3 1.0 0.5 0.1 2.2 1.1 1.0 1.9 0.2 2.3 2.4 1.5 0.4 0.2 1.9
7 0 4 6 8 6 4 6 7 2 6 8 5 6 1 3 1 6 8 4 7 1 1 2 4 1 2 6 6 8 5 3 7 1 3 4 0 0 3 6 3 8 1 3 1
9 18 22 0 6 2 14 4 11 18 18 8 19 6 1 23 3 8 10 16 13 5 25 26 24 7 20 10 20 12 21 1 15 9 3 18 22 28 5 12 25 14 11 7 27
1 1 2 0 2 0 2 2 2 1 2 0 0 1 2 3 1 3 2 0 2 1 3 1 0 0 3 2 2 0 0 1 3 1 3 3 2 2 0 3 2 1 0 3 3 1
28
d
39.62 39.73 40.13 40.30 40.35 40.43 40.51 40.82 40.93 40.98 41.09 41.26 41.34 41.47 41.72 41.86 41.98 42.36 42.40 42.43 42.46 42.48 42.50 42.64 43.07 43.23 43.38 43.48 43.48 43.77 43.84 44.09 44.19 44.22 44.33 44.53 44.78 44.79 44.81 44.82 44.83 45.34 45.42 45.53 45.67
2.275 2.268 2.247 2.238 2.235 2.231 2.227 2.211 2.205 2.203 2.197 2.188 2.184 2.178 2.165 2.158 2.152 2.134 2.132 2.130 2.129 2.128 2.127 2.120 2.100 2.093 2.086 2.081 2.081 2.068 2.065 2.054 2.049 2.048 2.043 2.035 2.024 2.023 2.022 2.022 2.022 2.000 1.997 1.992 1.987
M
I rel
8 4 4 4 4 8 8 8 8 8 4 4 8 8 8 8 8 8 4 8 8 8 8 4 4 8 8 8 4 4 8 8 8 8 8 8 4 2 8 8 8 4 8 8 8
1.4 7.3 0.2 3.9 2.8 1.6 1.4 0.7 0.9 15.0 9.6 0.7 0.3 10.9 1.2 1.2 0.8 0.3 0.7 0.2 1.8 1.2 0.4 1.2 0.8 1.9 0.3 0.4 1.6 2.0 0.2 1.2 0.6 2.4 2.7 0.4 0.4 0.1 1.8 0.5 0.6 1.5 1.2 1.3 2.7
NAT
Mesolite
J ,
Zeolites
16:323-802,
1996
545
NAT
Scolecite
COMPOSITION:
Ca4(Si12A18040). Bombay, India.
CRYSTAL
Clcl (No. 9) unique axis b, cell choice 1 a = 6.5222 A b = 18.9678 a c = 9.8398 ii a! = 90” p = 109.972” yf = 90”
DATA:
REFERENCE:
hkl 0 -1 1 0 0 -1 1 -1 1 0 0 -1 1 0 -1 1 -1 0 1 -2 -2 2 0 -2 0 2 -1 1 -1 1 -2 0 -2
546
2 1 1 4 0 3 3 1 1 4 2 3 3 4 5 5 1 6 1 0 2 0 6 2 2 2 5 5 3 3 4 6 4
1 1 0 0 2 1 0 2 1 1 2 2 1 2 1 0 3 0 2 2 1 0 1 2 3 0 2 1 3 2 1 2 2
Zeolites
20
d
13.37 15.10 15.19 18.71 19.19 20.11 20.18 20.26 20.47 21.05 21.38 24.26 24.44 26.93 27.60 27.65 28.00 28.23 28.26 28.93 28.95 29.13 29.87 30.46 30.49 30.65 30.81 30.96 31.07 31.31 33.35 34.36 34.68
6.621 5.869 5.833 4.742 4.624 4.416 4.401 4.383 4.338 4.220 4.156 3.669 3.642 3.311 3.232 3.226 3.187 3.161 3.158 3.086 3.084 3.065 2.991 2.934 2.932 2.916 2.902 2.889 2.878 2.857 2.687 2.610 2.586
16:323-802,
12H20
J. V. Smith, J. J. Pluth, G. Artioli and F. K. Ross, Proc. 6th International Zeolite Conf., Reno 1983. Ed. by D. H. Olson and A. Bisio, Butterworths, London, 842-850 (1984)
M 4
4 4 4
1996
I rel 49.3 100.0 13.1 37.5 35.1 26.1 24.4 42.7 10.3 12.3 7.8 4.6 10.6 2.2 10.4 9.0 9.6 0.2 15.2 6.1 9.3 7.3 6.3 31.5 11.5 13.1 33.9 54.7 26.2 52.9 1.0 1.6 3.6
hkl 0 -2 2 2 -1 1 -1 1 -1 1 0 -2 -1 1 2 0 0 -1 1 -2 -2 0 2 -2 0 2 -2 2 -3 -3 0 0 1
4 2 4 2 7 7 5 5 1 1 8 4 7 7 4 0 8 3 3 6 0 2 0 6 6 6 2 2 1 1 8 4 7
3 3 0 1 1 0 3 2 4 3 0 3 2 1 1 4 1 4 3 1 4 4 2 2 3 0 4 2 2 1 2 4 2
28
d
M
IreI
34.71 34.80 34.85 35.14 36.20 36.25 36.52 36.72 36.87 37.15 37.95 38.60 38.78 38.90 38.92 38.95 39.22 39.32 39.59 39.71 40.03 40.14 40.48 40.87 40.89 41.01 41.19 41.64 42.07 42.18 42.86 43.55 43.76
2.585 2.578 2.574 2.554 2.481 2.478 2.461 2.447 2.438 2.420 2.371 2.332 2.322 2.315 2.314 2.312 2.297 2.291 2.276 2.270 2.252 2.246 2.228 2.208 2.207 2.201 2.191 2.169 2.148 2.143 2.110 2.078 2.069
4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 2 4 4 4 4 2 4 2 4 4 4 4 4 4 4 4 4 4
2.0 2.8 1.2 2.0 3.0 5.2 0.6 3.3 6.3 9.5 0.9 2.8 4.1 1.3 1.0 2.3 4.0 0.9 0.8 8.0 3.4 4.7 0.5 9.7 9.9 3.0 4.7 8.0 1.2 3.0 1.3 3.3 0.9
h, -1 1 -3 -3 -2 -3 -2 3 2 2 -1 1 -3 -1 3 1 -2 -1 1 0 -2 0 -1 2 -3 -3 1 0 0 3 2 -2
kl 5 5 3 1 6 3 4 1 6 4 9 9 3 1 3 1 8 9 9 10 8 8 3 8 5 1 3 6 10 1 2 6
20 4 3 2 3 3 1 4 0 1 2 1 0 3 5 0 4 1 2 1 0 2 3 5 0 1 4 4 4 1 1 3 4
43.89 44.13 44.28 44.29 44.32 44.38 44.53 44.60 44.60 44.95 45.48 45.51 16.42 46.43 46.72 46.73 47.41 17.64 47.74 47.96 48.41 48.43 48.48 48.54 48.56 48.58 48.78 48.80 49.02 49.07 49.51 49.70
d
M
Ire]
2.063 2.052 2.046 2.045 2.044 2.041 2.035 2.032 2.032 2.017 1.994 1.993 1.956 1.956 1.944 1.944 1.918 1.909 1.905 1.897 1.880 1.879 1.878 1.875 1.875 1.874 1.867 1.866 1.858 1.857 1.841 1.834
4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 3 3 4 4 4 4 4 4 4 4
1.0 1.5 2.4 0.1 0.5 2.7 2.6 5.0 1.7 0.2 2.2 0.6 8.4 1.3 0.7 0.3 1.2 0.5 3.9 1.4 1.5 0.9 0.8 0.1 1.7 1.7 3.0 2.6 3.5 3.2 4.3 0.5
NAT
Scolecite
0 v-
Zeolites
0
16:323-802,
1996
547
NES
NU-87 COMPOSITION:
(Si6s013s).20HzO
CRYSTAL
P121/c 1 (No. a = 14.324 A Q = 90”
DATA:
M. D. Shannon, J. L. Casci, P. A. Cox and S. J. Andrews. Nature 353, 417-420 (1991).
REFERENCE:
h -1 0 -1 0 -1 0 1 -2 1 -1 -1 0 -2 -2 -1 -2 -2 0 -2 0 1 -3 -3 -2 -2 -1 1 -3 -2 1 -3 -1 0 -3 -2 -2 -2 0 -3 -2 -1 -3 -2 1 -2
548
k 0 2 1 1 2 2 0 1 1 3 3 3 0 2 2 2 2 2 3 4 3 0 1 1 1 4 1 2 2 4 2 2 5 0 4 2 4 4 3 3 3 2 3 3 5
1
20
2 0 1 1 2 1 0 3 0 2 1 1 4 3 3 4 2 2 3 1 0 4 5 5 1 3 1 5 5 0 4 4 1 6 4 1 2 2 5 5 4 6 1 1 3
7.05 7.90 8.34 8.38 10.59 10.83 12.96 12.99 13.55 13.81 13.97 13.99 14.12 14.70 14.76 16.20 16.73 16.80 17.17 17.50 17.60 19.15 19.22 19.29 20.19 20.19 20.23 20.42 20.49 20.52 20.74 20.86 21.20 21.25 21.28 21.34 21.69 21.75 22.29 22.35 22.69 22.70 23.14 23.17 23.45
Zeolites
d 12.546 11.188 10.597 10.553 8.350 8.173 6.831 6.814 6.534 6.411 6.339 6.330 6.273 6.027 6.003 5.471 5.299 5.276 5.163 5.068 5.038 4.635 4.619 4.600 4.399 4.397 4.389 4.349 4.334 4.328 4.282 4.259 4.192 4.182 4.175 4.164 4.097 4.086 3.989 3.977 3.919 3.917 3.844 3.838 3.794
16:323-602,
14) unique axis b, cell choice 1 b = 22.376 A c = 25.092 hi 1(3= 151.515O y = 90”
M
Ire1
h
k
1
2 2 4 4 4 4 2 4 4 4 4 4 2 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4
10.9 100.0 12.9 19.6 9.2 0.5 5.7 2.4 0.5 0.3 0.3 1.4 0.6 0.3 0.1 3.7 0.3 0.3 0.9 0.3 0.4 0.4 8.3 11.0 1.9 0.1 4.1 1.5 0.4 26.3 0.1 1.6 0.3 0.2 6.7 0.2 0.2 0.1 10.5 12.4 0.5 12.9 0.7 1.4 1.2
-1 1 0 -2 -3 -2 -2 -4 -3 -1 -2 -1 -2 -2 1 -4 -3 2 -4 -2 2 -3 -4 -1 -1 -3 1 1 2 -3 0 -3 -2 -3 -1 -2 -2 -2 -3 0 1 1 -4 2 -1
5 5 6 5 4 4 5 0 4 6 0 4 1 4 4 1 1 0 2 2 1 4 1 1 6 0 0 6 2 4 4 5 5 5 2 6 6 5 2 6 5 2 0 3 7
3 0 0 4 5 5 2 6 4 1 6 4 6 1 1 7 7 0 6 6 0 6 5 5 3 2 2 0 0 3 3 5 5 4 5 4 2 1 2 2 1 2 8 0 1
1996
28 23.49 23.77 23.86 24.43 24.68 24.74 24.80 24.89 24.95 25.00 25.04 25.04 25.36 25.45 25.49 25.96 26.05 26.09 26.15 26.29 26.39 26.61 26.65 26.82 26.99 27.01 27.10 27.24 27.30 27.36 27.46 27.46 27.52 27.71 27.71 27.83 28.15 28.16 28.18 28.20 28.20 28.27 28.46 28.75 28.90
d
M
I rel
3.788 3.744 3.729 3.643 3.608 3.599 3.591 3.577 3.569 3.562 3.557 3.556 3.512 3.500 3.495 3.432 3.421 3.416 3.407 3.389 3.377 3.349 3.345 3.325 3.303 3.301 3.290 3.273 3.267 3.259 3.248 3.248 3.241 3.220 3.220 3.206 3.170 3.168 3.166 3.165 3.165 3.157 3.136 3.106 3.089
4 4 2 4 4 4 4 2 4 4 2
0.4 2.9 9.0 0.1 1.6 0.4 0.2 0.3 1.4 0.8 0.2 0.3 0.2 0.6 0.4 0.8 1.7 7.2 1.1 1.0 3.1 1.3 5.9 1.8 0.5 0.9 1.1 3.4 12.9 0.2 0.5 4.3 5.2 0.2 1.9 0.8 0.7 1.7 0.4 0.5 1.0 0.5 1.3 0.3 1.0
4
4 4 4 2 4 4 4 4 4 4 4 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4
h k 0 -4 -1 -3 -4 1 -2 -3 0 0 -3 -3 -2 2 -3 -4 -1 1 -4 -4 0 -1 -2 1 -3 -3 1 -5 0 -5 -3 -4 -1 0 -5 -1 -3 -5 -1 -3 -1 1 1 -4 -2
7 3 3 5 4 3 4 5 5 1 4 6 6 4 6 2 6 7 4 3 2 4 6 6 0 4 4 1 3 2 5 4 8 6 1 5 5 0 0 7 8 7 8 1 6
1 1 5 5 6 6 2 6 3 3 4 7 5 5 0 4 4 4 0 5 8 4 5 1 1 8 2 2 7 4 8 7 8 2 3 9 5 2 6 6 4 3 1 0 3 6
28 28.91 28.98 29.14 29.23 29.64 29.67 29.77 29.92 30.01 30.14 30.36 30.55 30.60 30.67 30.77 30.78 30.85 30.88 30.89 30.93 30.94 31.04 31.19 31.22 31.46 31.47 31.54 31.92 32.24 32.34 32.70 32.73 32.81 32.88 32.99 33.33 33.74 33.77 33.99 34.07 34.45 34.48 34.65 34.70 34.86
d
M
3.088 3.081 3.065 3.056 3.014 3.011 3.001 2.987 2.978 2.965 2.944 2.926 2.922 2.915 2.906 2.905 2.898 2.895 2.895 2.891 2.890 2.881 2.868 2.865 2.843 2.843 2.836 2.803 2.777 2.768 2.738 2.736 2.730 2.724 2.715 2.688 2.657 2.654 2.637 2.631 2.603 2.601 2.589 2.585 2.574
4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 2 2 4 4 4 4 4 4
IreI 1.3 1.0 0.9 0.2 0.4 0.2 0.4 0.6 0.5 0.3 0.2 1.8 0.3 0.2 0.9 0.4 0.9 0.2 0.6 0.5 0.2 0.4 0.3 1.1 0.2 0.4 0.2 0.1 0.2 0.3 0.2 0.3 0.7 0.3 0.1 0.7 0.1 0.5 0.7 0.5 0.1 0.1 0.1 0.1 0.2
NES
NU-87
Zeolites
16:323-602,
1996
549
NON
2-aminopentane
COMPOSITION:
(Sigs0176).4CsHllNH2
CRYSTAL
Fmmm (No. 69) CL= 22.232 A i = 15.058 A cy = 90” /3 = 90”
DATA:
REFERENCE:
h
k
2 1 0 0 2 3 2 1 2 4 4 1 5 3 0 3 4 6 2 0 1 6 2 6 5 4 5 0 3 7 2 6 1 4
0 1 2 0 2 1 0 3 2 2 0 1 1 3 4 1 2 0 4 0 3 2 0 0 3 4 1 2 3 1 2 2 5 4
550
1 0 1 0 2 0 1 2 1 2 0 2 3 1 1 0 3 2 0 0 4 3 0 4 2 1 0 3 4 3 1 4 2 1 2
28 7.95 9.61 11.75 12.99 14.21 14.82 15.25 19.26 19.30 19.85 20.62 20.81 21.84 22.36 23.63 23.72 23.80 24.02 24.97 26.16 26.77 26.82 27.38 27.40 27.59 28.64 28.71 28.76 29.12 29.48 29.89 29.90 30.67 31.56
Zeolites
Nonasil
d 11.116 9.199 7.529 6.814 6.234 5.976 5.809 4.608 4.599 4.472 4.307 4.268 4.070 3.975 3.765 3.751 3.738 3.705 3.566 3.407 3.330 3.325 3.257 3.255 3.233 3.117 3.109 3.104 3.066 3.030 2.989 2.988 2.915 2.834
16:323-602,
c = 13.627 A y = 90”
B. Marler, N. Dehnbostel, H. H. Eulert, H. Gies and F. Liebau. J Inclusion Phenomena 4, 339-349 (1986 j.
M
8
8 4 8 4 8 8 8 8 8 8
1996
I rel
h
k
1
20
d
24.5 52.7 5.4 4.3 2.9 1.6 2.8 61.7 14.4 31.2 100.0 30.3 0.2 47.3 4.7 10.4 2.0 21.8 26.1 5.4 24.4 3.5 26.4 0.4 14.7 1.6 3.2 0.5 1.9 2.1 4.5 1.9 1.1 4.2
8 3 5 6 7 8 8 7 0 3 0 6 6 5 2 8 9 1 6 0 7 2 4 5 4 3 0 8 2 5 0 4 9 2
0 5 3 4 3 2 0 1 4 1 6 0 4 5 6 2 1 3 2 6 3 6 4 1 6 3 0 4 0 5 2 6 1 2
0 1 3 0 1 0 2 3 4 5 0 4 2 1 0 2 1 5 4 2 3 2 4 5 0 5 6 0 6 3 6 2 3 6
32.21 32.76 33.37 33.95 34.05 34.40 34.87 34.98 35.54 35.60 35.78 35.80 36.49 36.64 36.71 36.92 37.48 37.78 37.81 38.22 38.98 39.10 39.17 39.23 39.39 39.54 39.68 40.34 40.54 41.30 41.53 41.65 42.07 42.35
2.779 2.733 2.685 2.641 2.633 2.607 2.573 2.565 2.526 2.522 2.510 2.508 2.462 2.453 2.448 2.435 2.400 2.381 2.379 2.355 2.311 2.304 2.300 2.297 2.287 2.279 2.271 2.236 2.225 2.186 2.174 2.168 2.148 2.134
nr
I rel
h
II-
1
2 8 8 4 8 4 4 8 4 8 2
1.7 3.2 11.0 0.4 0.2 0.5 1.0 2.0 2.1 0.7 11.4 1.3 2.3 2.6 3.5 4.2 1.4 2.6 0.2 0.2 3.1 0.8 1.5 3.5 1.8 4.0 0.8 1.6 0.3 1.7 1.3 0.2 0.7 0.1
10 8 1 10 5 4 6 6 8 7 3 1 9 2 6 7 3 0 1 6 1 5 2 10 7 4 9 0 8 2 10 4 11
2 4 7 0 3 0 4 6 2 1 7 5 3 6 6 5 5 4 7 0 1 7 4 4 3 6 5 8 6 8 4 4 1
0 2 1 2 5 6 4 0 4 5 1 5 3 4 2 3 5 6 3 6 7 1 6 0 5 4 1 0 0 0 2 6 3
8 8 4 8 8 8 8 4 8 8 8 8 4 8 2 4 4 8 8 8 8
28 42.39 42.56 42.75 42.78 42.89 43.02 43.35 43.55 43.72 44.20 44.35 45.05 45.54 45.63 45.64 46.09 46.58 46.71 46.91 46.92 47.26 47.42 47.46 47.49 47.55 47.90 48.11 48.35 48.90 49.09 49.45 49.67 49.75
d 2.132 2.124 2.115 2.113 2.109 2.102 2.087 2.078 2.070 2.049 2.043 2.013 1.992 1.988 1.987 1.969 1.950 1.945 1.937 1.936 1.923 1.917 1.916 1.91-l 1.912 1.899 1.891 1.882 1.863 1.856 1.843 1.836 1.833
M IreI 4 8 8 4 8 4 8 4 8 8 8 8 8 8 8 8 8 4 8 4 8 8 8 3 8 8 8 2 4 4 8 8 8
0.8 0.8 0.5 2.3 0.2 0.7 0.2 0.2 0.4 0.1 0.3 0.5 1.8 0.4 0.4 0.4 0.4 1.2 2.4 2.5 1.2 0.7 0.1 0.1 0.6 2.5 0.6 0.6 1.2 0.2 1.1 0.2 1.3
2-aminopentane
NON
Nonasil
Zeolites
16:323-602,
1996
551
OFF
Offretite
COMPOSITION:
(K1.1Mgo.7Cal.l)(Sil2.8~~5.2~36).15.2H20 Mt. Simiouse, France.
CRYSTAL
PBm2 (No. 187) a = 13.291 A b = 13.291 A a = 90” p = 90”
DATA:
REFERENCE:
hkl 1 0 0 0 1 1 2 1 2 2 3 0 2 1 3 2 1 3 2 2 3
552
0 1 0 0 1 0 1 0 0 1 0 0 2 1 1 0 2 1
1 0 1 0 1 1 0 0 2 1 2 1 0 2 0 2 1 1
20 7.68 11.67 13.32 13.99 15.40 17.75 19.36 20.41 23.18 23.47 23.58 24.72 26.03 26.83 27.08 27.95 28.19 29.35 30.38
Zeolites
d 11.510 7.582 6.645 6.332 5.755 4.998 4.584 4.350 3.837 3.791 3.773 3.601 3.423 3.323 3.293 3.192 3.166 3.043 2.942
16:323-802,
c = 7.582 A y = 120”
J. A. Gard and J. M. Tait, Acta Cryst. B28, 825-834 (1972)
M
I El
h
k
6 2 6 12 6 12 12 12 6 2 24 12 12 6 12 12 12 12 24
100.0 16.3 12.0 9.9 15.6 0.2 13.6 18.9 14.0 1.5 35.1 20.6 1.3 3.8 1.5 2.0 7.8 0.3 3.8
4 2 4 3 0 4 2 3 1 3 2 5 4 3 5 2 4 3 3
0 1 0 2 0 1 2 2 0 1 0 0 0 3 0 1 2 2 3
1996
1 0 2 1 0 3 0 2 1 3 2 3 0 2 0 1 3 0 2 1
26’ 31.08 31.30 33.30 33.95 35.52 35.75 35.94 36.01 36.39 36.81 38.92 39.13 39.31 40.73 40.97 41.31 41.51 41.68 42.51
d
M
Ire,
h
k
1
28
d
M
I,,,
2.878 2.858 2.690 2.641 2.527 2.512 2.499 2.494 2.468 2.442 2.314 2.302 2.292 2.215 2.203 2.185 2.175 2.167 2.126
6 24 12 12 2 12 12 24 12 24 12 6 12 6 12 24 12 24 12
18.4 28.2 6.8 0.3 0.6 10.5 0.4 3.9 0.3 0.6 1.4 0.9 0.4 3.3 1.0 0.6 0.2 0.1 2.1
3 4 4 5 2 5 3 5 3 4 0 4 1 6 5 4 3
0 1 2 1 2 1 1 0 3 0 0 2 0 0 2 3 2
3 2 1 0 3 1 3 2 2 3 4 2 4 1 0 1 3
42.85 43.21 43.27 43.79 45.07 45.48 45.79 46.13 47.54 47.90 48.00 48.23 48.68 48.98 49.45 49.65 49.95
2.111 2.094 2.091 2.067 2.012 1.994 1.982 1.968 1.913 1.899 1.895 1.887 1.870 1.860 1.843 1.836 1.826
12 24 24 12 12 24 24 12 12 12 2 24 12 12 12 24 24
1.8 0.7 2.5 0.4 0.1 2.1 0.5 1.7 0.1 2.3 3.6 0.2 1.5 0.1 1.0 0.4 0.1
OFF
Offretite
Zeolites
16:323-602,
1996
553
-PAR
Partheite
COMPOSITION:
Cas(Si16A116060(OH)8).16HzO Taurus Mountains, Turkey.
CRYSTAL
Cl 2/c 1 (No. 15) unique axis b, cell choice 1 CL= 21.555 A h = 8.761 A c = 9.304 A ck! = 90” d = 91.55” Y = 90”
DATA:
REFERENCE:
h
k
1
20
2 1 -1 1 3 4 3 0 0 -2 2 2 -1 1 0 5 -2 2 -3 -5 6 -4 5 3 4 4 -4 0 2 -5 5 -1 7 1 1 -6 6 -7 6 -4 -1 1 7
0 1 1 1 1 0 1 0 2 0 0 2 1 1 2 1 2 2 1 1 0 0 1 1 0 2 2 2 2 1 1 1 1 3 1 0 0 1 2 2 3 3 1
0 0 1 1 0 0 1 2 0 2 2 0 2 2 1 0 1 1 2 1 0 2 1 2 2 0 1 2 2 2 2 3 0 0 3 2 2 1 0 2 1 1 1
8.21 10.90 14.41 14.56 15.96 16.46 18.78 19.08 20.27 20.60 21.01 21.90 21.93 22.13 22.43 23.00 23.83 24.02 24.71 24.72 24.79 24.95 25.15 25.23 25.64 26.22 27.79 27.98 29.36 29.69 30.42 30.77 30.79 30.90 30.98 31.05 31.89 32.05 32.23 32.36 32.37 32.43 32.53
554
Zeolites
d 10.774 8.116 6.146 6.084 5.554 5.387 4.725 4.650 4.381 4.312 4.228 4.058 4.053 4.017 3.963 3.867 3.733 3.705 3.603 3.602 3.591 3.568 3.540 3.529 3.474 3.399 3.210 3.189 3.042 3.009 2.938 2.906 2.904 2.894 2.886 2.880 2.806 2.793 2.777 2.766 2.766 2.760 2.752
16:323-802,
N. Engel and K. Yvon, Z. Kristallogr. 169, 165-175
Al
4 4 2 4 2 2 2 2 4 4 4 4 4 4 4 4 2 2 4 4 2 4 4 4 4 4 4 4 4 4 2 2 4 4 4 4 4 4
1996
I El
h
I;
1
100.0
-3 4 3 3 -6 6 -3 3 -7 -2 1 2 -5 5 -6 5 6 -8 -3 5 3 0 -4 9 8 8 2 -9 -8 1 9 8 0 -3 -5 -4 10 -7 5 3 -1 7 4
1 2 3 1 2 2 3 3 1 2 3 2 1 3 2 1 2 0 3 3 3 0 2 1 0 2 0 1 2 1 1 2 4 1 3 0 0 1 3 1 3 3 0
3 2 0 3 1 1 1 1 2 3 2 3 3 0 2 3 2 2 2 1 2 4 3 0 2 0 4 1 1 4 1 1 0 4 2 4 0 3 2 4 3 0 4
57.5 9.9 40.3 1.2 6.4 1.0 5.3 9.1 10.3 2.0 9.4 1.6 6.5 3.4 10.2 43.2 2.7 0.2 27.6 15.5 0.1 0.9 21.1 0.6 13.9 0.6 35.1 32.1 2.6 35.8 59.2 0.4 0.9 1.1 11.1 6.9 32.9 12.1 13.7 0.7 6.6 8.8
20 32.79 32.91 33.11 33.39 33.48 33.88 34.43 34.62 36.04 36.29 36.63 36.66 36.71 37.19 37.37 37.62 38.09 38.16 38.32 38.62 38.67 38.73 38.99 39.00 39.10 39.27 39.88 39.98 40.27 40.46 40.49 40.72 41.22 41.80 41.85 41.90 41.93 42.09 42.40 42.46 42.66 42.68 42.77
(1984).
d
I El
2.732 2.722 2.705 2.683 2.676 2.646 2.605 2.590 2.492 2.476 2.453 2.452 2.448 2.418 2.407 2.391 2.363 2.359 2.349 2.331 2.328 2.325 2.310 2.309 2.304 2.294 2.260 2.255 2.240 2.229 2.228 2.216 2.190 2.161 2.158 2.156 2.155 2.147 2.132 2.129 2.119 2.119 2.114
0.3 0.1 21.6 1.9 11.8 0.7 0.5 3.7 2.8 2.0 3.0 1.8 4.8 4.0 0.8 0.5 0.3 1.0 0.9 2.2 2.5 5.7 0.7 0.3 1.0 0.4 3.5 1.6 2.7 0.1 13.4 0.1 4.2 0.4 6.5 0.7 4.0 2.4 5.9 0.4 1.7 7.0 1.2
4 4 4 4 4 4
4
h k -2 -6 2 -8 -7 7 0 6 9 8 -2 -5 2 -4 0 4 -6 -10 5 -2 2 -7 10 -4 10 -5 7 4 -10 5 10 -11 -9 6 -4 -8 4 9 -6 -7 9 6
4 2 4 2 3 3 2 2 1 2 2 1 2 4 4 4 0 0 1 4 4 3 0 2 2 3 3 2 2 3 2 1 1 4 4 2 4 3 4 1 1 4
1 1 3 1 2 1 1 4 3 2 2 4 4 4 1 2 1 4 2 4 2 2 2 2 4 0 3 2 4 1 3 1 1 3 0 2 3 2 0 1 4 3 1
28 43.21 43.28 43.31 43.58 43.64 44.01 44.09 44.24 44.24 44.43 44.72 45.00 45.14 45.67 45.79 45.87 45.92 45.94 46.03 46.50 46.71 46.79 46.95 46.97 47.00 47.33 47.49 47.77 47.82 48.08 48.31 48.35 48.54 48.69 48.79 48.83 49.18 49.21 49.59 49.59 49.85 49.88
d 2.094 2.090 2.089 2.077 2.074 2.057 2.054 2.047 2.047 2.039 2.026 2.014 2.009 1.987 1.982 1.978 1.976 1.976 1.972 1.953 1.945 1.942 1.935 1.935 1.934 1.921 1.914 1.904 1.902 1.893 1.884 1.882 1.876 1.870 1.867 1.865 1.853 1.852 1.838 1.838 1.829 1.828
iv IreI 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 2 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4
6.8 1.8 0.8 0.7 1.0 0.8 0.9 2.9 4.3 0.1 1.2 0.8 3.0 2.2 0.5 0.1 1.2 1.8 9.2 3.0 1.7 3.7 2.8 2.1 0.8 2.1 3.6 2.4 0.2 1.8 5.7 1.2 0.2 0.2 2.3 0.3 0.3 1.9 1.4 0.5 0.3 0.8
Partheite
Zeolites
16:323-802,
1996
555
PAU
Paulingite
COMPOSITION:
(Nal3K6sCa36Bal,5)(Si52oA115201344).705H20 Rock Island Dam, Washington, U.S.A.
CRYSTAL
Imzm (No. 229) a = 35.093 a b = 35.093 A 0. = 90” p = 90”
DATA:
REFERENCE:
h k 1 1 1 0 2 2 2 3 2 3 4 3 4 4 3 4 4 5 5 4 4 5 6 5 6 6 5 6 6 5 5 7 6 5 6 6 7 6 7 8 5 7 8 6 8 6 8 7
556
0 11 2 1 2 2 0 3 1 2 3 2 3 1 2 4 3 3 0 3 1 2 4 2 3 4 5 1 4 5 3 4 3 5 3 0 5 4 1 4 2 5 2 4
0 0 0 2 1 0 0 1 0 2 2 1 0 1 0 3 0 0 2 1 0 1 2 1 3 0 0 0 2 3 2 0 1 2 0 4 1 1 4 0 3 2 3
28 3.56 5.04 6.17 7.12 7.97 8.73 9.43 10.08 10.70 10.70 11.28 11.83 12.36 12.86 12.86 13.82 14.28 14.72 14.72 15.15 15.57 15.57 15.97 16.37 16.76 17.14 17.87 17.87 17.87 18.23 18.58 18.58 18.92 19.26 19.92 19.92 20.24 20.56 20.56 20.56 20.87 20.87 21.18 21.49 21.79
Zeolites
d 24.815 17.546 14.327 12.407 11.097 10.130 9.379 8.773 8.272 8.272 7.847 7.482 7.163 6.882 6.882 6.307 6.204 6.018 6.018 5.849 5.693 5.693 5.549 5.415 5.290 5.174 4.963 4.963 4.963 4.866 4.776 4.776 4.690 4.608 4.457 4.457 4.387 4.320 4.320 4.320 4.256 4.256 4.194 4.136 4.079
16:323-802,
c = 35.093 8+ y = 90”
E. K. Gordon, S. Samson and W. B. Kamb. Science 154, 1004-1007 (1966).
M
IreI
12 6 24 12 24 8 48 6 12 24 24 24 24 48 24 48 12 24 24 6 48 24 24 48 24 48 48 12 24 24 24 24 48 24 48 48 6 24 48 24 24 24 48 24 48
42.1 63.6 4.4 13.7 24.7 0.6 12.3 2.5 100.0 3.3 3.3 7.6 11.1 83.2 2.8 0.2 13.7 0.2 0.5 21.8 26.2 2.3 0.2 9.6 4.1 4.0 0.5 0.1 23.7 0.5 0.3 44.4 10.2 1.9 1.9 0.1 14.0 2.0 0.1 0.5 5.8 4.4 1.3 1.0 10.6
1996
hkl 7 8 7 8 8 9 6 7 9 7 8 9 7 9 8 7 8 9 8 10 8 10 9 6 10 7 9 10 8 10 9 10 9 11 9 10 11 8 9 11 8 10 9 10 8
5 3 5 4 3 1 5 6 2 5 5 3 6 3 4 7 5 4 6 1 6 2 5 6 2 6 5 3 6 4 6 3 5 1 6 5 2 8 7 3 8 4 7 5 6
0 1 2 0 3 0 5 1 1 4 1 0 3 2 4 0 3 1 0 1 2 0 0 6 2 5 2 1 4 0 1 3 4 0 3 1 1 0 0 0 2 4 2 3 6
20
d
21.79 21.79 22.37 22.66 22.95 22.95 23.51 23.51 23.51 24.06 24.06 24.06 24.59 24.59 24.86 25.12 25.12 25.12 25.38 25.64 25.89 25.89 26.14 26.39 26.39 26.64 26.64 26.64 27.37 27.37 27.61 27.61 28.08 28.08 28.55 28.55 28.55 28.78 29.01 29.01 29.24 29.24 29.46 29.46 29.69
4.079 4.079 3.974 3.923 3.875 3.875 3.784 3.784 3.784 3.699 3.699 3.699 3.620 3.620 3.582 3.545 3.545 3.545 3.509 3.475 3.441 3.441 3.409 3.377 3.377 3.346 3.346 3.346 3.258 3.258 3.231 3.231 3.177 3.177 3.126 3.126 3.126 3.102 3.078 3.078 3.055 3.055 3.032 3.032 3.009
M
Ire1
24 48 48 24 24 24 24 48 48 48 48 24 48 48 24 12 48 48 24 24 48 24 24 8 24 48 48 48 48 24 48 24 48 24 48 48 48 12 24 24 24 24 48 48 24
0.9 0.4 0.2 0.9 10.2 2.7 1.2 0.2 0.1 1.1 0.4 5.7 0.3 9.6 24.4 0.5 1.5 0.7 0.2 0.3 0.1 2.1 0.1 0.9 4.5 0.2 0.3 39.2 0.3 45.2 2.6 0.2 7.5 0.5 3.1 17.2 12.8 1.3 1.7 64.1 0.1 0.2 0.1 1.4 1.0
hkl 8 11 10 9 8 9 9 11 10 10 11 10 12 9 12 10 12 11 12 9 11 10 11 13 10 11 13 12 9 12 13 10 10 11 13 12 11 10 11 12 13 12 14 13 14
7 4 6 6 8 7 8 5 5 7 5 6 2 8 3 7 4 5 4 9 6 8 7 1 7 7 2 4 9 5 3 8 9 6 3 6 7 9 8 7 4 6 0 5 1
5 1 2 5 4 4 1 0 5 1 2 4 2 3 1 3 0 4 2 2 3 2 0 0 5 2 1 4 4 3 0 4 1 5 2 2 4 3 3 1 3 4 0 2 1
20
d
M
Ire1
29.91 29.91 30.13 30.35 30.57 30.79 30.79 30.79 31.21 31.21 31.21 31.43 31.43 31.64 31.64 32.06 32.27 32.47 32.68 32.88 32.88 33.09 33.29 33.29 33.69 33.69 33.69 33.89 34.08 34.08 34.08 34.28 34.48 34.48 34.48 34.67 34.87 35.25 35.63 35.63 35.63 35.82 35.82 36.01 36.01
2.987 2.987 2.966 2.945 2.924 2.904 2.904 2.904 2.865 2.865 2.865 2.846 2.846 2.828 2.828 2.792 2.774 2.757 2.740 2.724 2.724 2.707 2.692 2.692 2.660 2.660 2.660 2.645 2.630 2.630 2.630 2.616 2.601 2.601 2.601 2.587 2.573 2.546 2.519 2.519 2.519 2.507 2.507 2.494 2.494
48 48 48 48 24 48 48 24 24 48 48 48 24 48 48 48 24 48 48 24 48 48 24 24 48 48 48 24 24 48 24 48 48 48 48 48 48 48 48 48 48 48 6 48 24
0.3 28.1 13.0 0.8 0.1 1.6 0.1 1.4 0.2 0.3 3.6 3.9 0.5 1.5 2.1 4.8 0.9 0.5 2.7 0.1 20.5 1.7 0.2 0.4 0.3 0.1 0.7 0.9 6.7 3.3 0.3 29.7 2.1 0.2 0.5 0.7 5.4 1.2 7.0 0.2 4.1 1.3 2.2 0.2 1.3
PAU
Paulingite
0 Q)
8
0 m
Zeolites
16:323-802,
1996
557
Phillipsite
COMPOSITION:
(K2Cal.5Nao.4)(SilOA15032)~12H20 Casal Brunori, Rome, Italy.
CRYSTAL
P121/m 1 (No. a = 9.865 A ck = 90”
DATA:
R. Rinaldi? J. J. Pluth and J. V. Smith, Acta Cryst. B30, 2426--2433 (1974).
REFERENCE
h k 1 1 0 0 -1 0 0 110 -1 0 12 -1 0 -2 -2 101 -1 11 1 -1 -1 -2 -2 0 2 -2 1 -1 0 0 2 -2 0 -2 1 -1 -3 0 0 -3 1 -1 -3 -3 2 -2 -3 -3
558
0 0 2
1 1 0
1 1
1 1 0 1
2 21 0 1 0 3 3 1 2 0 31 1 1 2 2 0 4 2 2 12 3 4 4 0 2 4 0 3 3 1 1 3 3 2 2
1 1 2 1 0 1 2 1 2 0 2 1 2 2 0 0 2 1 0 1 1 2 1 2 1 2 1 2 0 2 1 2
28 10.84 10.93 12.35 12.38 12.49 12.56 13.82 16.48 16.54 17.52 17.98 19.03 20.58 20.72 21.51 21.59 21.64 21.64 21.89 21.96 22.40 22.67 22.83 24.09 24.21 24.84 24.91 25.13 25.28 25.62 26.00 27.23 27.27 27.78 27.84 27.89 27.89 27.89 27.99 28.49 28.59 28.80 28.94 30.52 30.61
Zeolites
d
Al
I rel
h
k
8.159 8.095 7.169 7.150 7.087 7.045 6.409 5.377 5.359 5.063 4.932 4.663 4.316 4.287 4.131 4.116 4.108 4.107 4.060 4.048 3.969 3.923 3.895 3.695 3.677 3.585 3.575 3.543 3.522 3.477 3.428 3.275 3.270 3.211 3.204 3.199 3.199 3.199 3.188 3.133 3.122 3.099 3.085 2.929 2.920
2 2 2 2 4 4 4 4 4 4 2 4 2 2 4 4 4 4 4 2 4 4 4 4 4 2 2 4 4 4 4 4 4 2 4 4 2 4 4 4 4 4 4 4 4
10.8 24.3 82.5 64.3 30.5 1.4 37.0 33.6 18.6 45.8 75.3 11.7 10.6 14.1 44.8 11.8 6.8 46.8 27.1 5.4 3.2 10.7 0.3 2.1 3.6 0.3 0.1 0.2 0.2 6.8 7.2 40.0 21.5 13.5 59.5 100.0 17.9 7.9 17.7 62.1 45.5 1.4 10.5 22.9 14.5
2 -2 -2 0 2 -2 1 1 -1 -1 3 1 1 -3 -1 -1 2 2 -2 -2 3 -3 0 -3 -3 1 -1 3 0 -3 -4 -4 0 -3 1 -3 1 -1 3 013 -3 2 -4 -2 -4
01 4 0 3 1 1 0 4 0 4 0 12 5 0 1 5 2 4 4 2 1 3 5 3 1 2 2 2 4 2 0 1 0 4 3 4 5 5 3
0 3 3 1 1 0 2 3 0 1 1 2 3 2 3 0 2 3 2 2 3 1 2 2 1 2 0
3 5 0 5 2
3 0 1 2 2
16:323-802,
11) unique axis b b = 14.300 A c = 8.668 A ,3 = 124.20” y = 90”
1996
1 1 3 2 1 3 2 1 3 2 0
20 30.71 30.89 30.96 31.22 31.35 31.60 32.44 32.52 32.59 32.61 32.93 33.06 33.19 33.20 33.20 33.22 33.23 33.32 33.44 33.46 33.54 33.65 33.74 33.74 33.80 34.84 34.99 35.31 35.46 35.56 36.43 36.99 37.64 37.65 37.66 37.73 37.73 37.81 38.09 38.18 38.33 38.44 38.50 38.54 38.62
d 2.911 2.895 2.888 2.865 2.853 2.831 2.760 2.753 2.747 2.746 2.720 2.710 2.699 2.698 2.698 2.697 2.696 2.689 2.680 2.678 2.672 2.663 2.656 2.656 2.652 2.575 2.565 2.542 2.531 2.525 2.466 2.430 2.390 2.389 2.388 2.384 2.384 2.379 2.362 2.357 2.348 2.342 2.338 2.336 2.331
iu
2 4 2 4 4 4 2 4 2 4 2 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 2 4 4 4 4 4 4 4 4 4 2 4 4
Ire1
0.8 1.2 12.7 0.8 0.3 0.2 22.1 13.3 13.7 18.2 0.1 26.8 27.1 6.5 11.0 4.8 10.0 1.7 6.5 23.4 10.9 0.3 8.1 2.4 6.4 6.2 4.6 6.8 16.1 7.3 3.1 2.3 0.5 14.3 4.5 5.2 0.7 3.0 3.9 1.9 0.4 7.6 0.2 11.4 1.6
h k -4 -4 -4 1 0 2 -2 0 -3 1 -1 3 2 -3 -3 -2 -2 2 -3 -3 1 -1 3 2 -3 2 -2 -2 2 4 -2 -4 -4 1 -1 1 1 0 -1 170 -1 3 3 2 0
1
0 1 1 6 6 4 4 5 3 4 4 4 0 4 0 6 0 1 5 1 6 6 2 2 2 6 6 2 5 0 5 4 0 0 0 1 5 6 1
3 1 3 0 1 1 3 2 2 2 3 0 2 3 4 1 4 2 2 4 1 2 1 2 4 0 2 4 1 0 3 2 4 3 4 3 2 2 4
5 3 5 3 7
3 1 0 2 1
28
d
38.71 39.03 39.24 39.38 39.86 39.93 40.14 40.34 41.21 41.33 41.45 41.73 41.87 41.95 41.98 42.11 42.16 42.36 42.39 42.47 43.37 43.44 43.58 43.82 43.93 44.00 44.09 44.10 44.40 44.41 44.59 44.64 44.78 45.13 45.29 45.60 45.68 45.71 45.76 45.79 45.79 45.94 46.05 46.18 46.21
2.326 2.307 2.296 2.288 2.262 2.257 2.247 2.236 2.190 2.185 2.179 2.164 2.158 2.154 2.152 2.146 2.143 2.134 2.132 2.128 2.086 2.083 2.077 2.066 2.061 2.058 2.054 2.053 2.040 2.040 2.032 2.030 2.024 2.009 2.002 1.989 1.986 1.985 1.983 1.982 1.981 1.975 1.971 1.966 1.965
iv Ire1 2 4 4 4 4 4 4 4 4 4 4 4 2 4 2 4 2 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 2 2 2 4 4 4 4 4 4 4 4 4 4
0.7 1.0 3.9 0.2 0.7 6.3 0.9 6.5 2.2 0.7 1.3 4.8 0.1 9.0 0.1 0.3 0.1 1.4 1.6 0.3 3.3 0.7 2.4 2.2 1.9 0.1 1.7 5.1 2.9 5.3 0.7 0.5 0.3 1.0 4.3 2.5 0.1 1.1 0.1 6.5 0.1 2.7 1.4 1.8 0.4
PHI
Phillipsite
Zeolites
16:323-802,
1996
669
Harmotome
COMPOSITION:
BazCao,5(Sil~A14032).12H20 Andreasberg, Hartz, Germany.
CRYSTAL
P121/m 1 (No. 11) unique axis b b = 14.139 ii a = 9.879 A c = 8.693 I! cl = 90” ,i3= 124.81’ y = 90”
DATA:
R. Rinaldi, J. J. Pluth and J. V. Smith, Acta Cryst. B30, 2426-2433 (1974).
REFERENCE
h -1 1 0
k 1 0 1 0 0 0 1
0
2
0
-1 1 0 1
1 1 1 2
1 0 1 0 1
0 -2 -1 1 -1 1 -1 1 -2 0 -2 2 -1
2
0 1 0 0 I 1 3 3 2 3 1 1 2
1
2
0
0 4 2 1 3 4 4
0 -2 0 -2 -1 1 -3 -3
2 1 2 1 1 0 1 1 2 0 2 1 2
0
0
2 2 1 1 0 2 1
0
2
2
-1 1 04 -3 -3 -2 2 -3 -3 -2 2 -2
3 3 1 1 3 3 2 2
2 1 1 2 1 2
01 4
1
0
3
2
560
0
0
0 2 1 3
28
d
M
I rel
10.87 10.91 12.40 12.52 12.55 12.58 13.90 16.63 17.66 17.96 20.69 20.75 21.64 21.69 21.79 21.81 21.95 22.61 22.75 22.81 24.26 24.30
8.136 8.111 7.137 7.070 7.052 7.036 6.372 5.329 5.023 4.940 4.292 4.281 4.107 4.098 4.078 4.075 4.049 3.933
2 2 2 2 4 4 4 4 4 2 2 2 4 4 4 4 4 4 4 4 4 4 2 2 4 4 4 4 4 2 2 4 4 4 4 4 4 4 4 4 4 2 2 4 4
51.2 62.2 70.8 0.1 12.0 5.8 100.0 0.1 33.7 0.7 18.6 10.0 14.1 23.6 29.2 14.5 42.4 2.6 8.6 18.6 2.9 3.5 2.9 3.6 1.4 10.6 3.8 16.4 27.6
3.909
24.95 25.19 25.26 25.75 26.13 27.51 27.53 27.78 27.82 28.01 28.12 28.16 28.17 28.51 28.54 29.00 29.05 30.58 30.61 30.86 30.96 31.11 31.44
Zeolites
3.898 3.669 3.662 3.569 3.535 3.526 3.460 3.410 3.242 3.240 3.211 3.206 3.186 3.173 3.169 3.168 3.131 3.127 3.079 3.074 2.923 2.920 2.897 2.888 2.874 2.845
16:323-802,
9.8 1.0 8.0 2.6 0.6 32.2 42.8
38.9 11.2 12.0 6.8 20.5 5.2 1.4 3.4 6.3
1996
hkl -2 2 -1 1 -1 1 3 -1 1 -2 2 -1 1 -2 2 -3
3 -3 -3 0 -1 1 -3 3
28 1 1 0 0 4 4
3 1 3 2 2 1
0
0
1 1 2 2 5 5 4 4 1 1
3 2 3 1 1 0 2
3 3
2
0
5 2 2 2 2 4
-4 -2 2 -4 0 -3 -1 1 -1 1 0 -3 0
3 3 1 0 4 3 3 5 5 6 3 1
3 -4 -4 -4 -2 2 -4
0
0 3 0 1 1 3 2 3
0 2 2 3 1 2 3 2 3 2 2 1
0 3 3
3 0
0 3
0 2 5 5 1
1 2 2
0 3
31.52 31.62 32.62 32.68 32.82 32.86 33.13 33.25 33.30 33.42 33.51 33.55 33.56 33.59 33.63 33.65 33.75 33.78 33.81 34.10 35.07 35.12 35.45 35.55 35.75 36.38 36.40 36.48 36.95 37.81 37.85 37.93 37.98 38.11 38.14 38.19 38.29 38.37 38.38 38.53 38.61 38.62 38.78 38.82 39.08
d
n1
2.838 2.830 2.745 2.740
2.729 2.726 2.704
2.695 2.690 2.681 2.674 2.671 2.670 2.668 2.665 2.663 2.656 2.654 2.651 2.629
2.559 2.555 2.532 2.525 2.511 2.470 2.468 2.463 2.433
2.379 2.377 2.372 2.369 2.361 2.360 2.357 2.350 2.346 2.345 2.336 2.332 2.332 2.322 2.320 2.305
4 4
I l-21
h
k
1
20
d
M
3.2 1.0 4.5 6.7 17.1 14.6 0.2 11.7 22.6 10.3 11.5 14.0 14.3
-4 -1 1 0 -2
1 6 6 2 4 6 4 2 5 4 4 0 4 4
1 1 0 3 3 1 1 3 2 3 2 4 3 4 2 4 1 1
2.301 2.264 2.263 2.255 2.241 2.238 2.237 2.218 2.216 2.168 2.166 2.161 2.152 2.148 2.146 2.141 2.136 2.129 2.127 2.124 2.122 2.122 2.121 2.117 2.093 2.090 2.066 2.065 2.060 2.054
4 4 4 4 4 4 4 4 4 4 4 2
0 0
39.16 39.83 39.83 39.98 40.25 40.30 40.32 40.67 40.71 41.66 41.70 41.81 41.99 42.07 42.10 42.21 42.32 42.46 42.50 42.57 42.60 42.61 42.63 42.72 43.22 43.29 43.83 43.85 43.95 44.10 44.20 44.46 44.55 44.69 44.76 44.79 44.86 45.03 45.38 45.44 45.86 45.92 45.98 46.08 46.12
7.0 1.3 4.2 0.6 0.8 0.8
9.9 4 4 4 4 2 4 4 4 2 4 4 4 4 4 2 4 4 4 2 2 4 4 4 4
3.6 3.0 16.2 10.8 11.4 2.0 6.1 1.4 1.3 2.3 0.2 4.1 6.1 0.5 2.9 1.5 0.2 1.3 6.4 1.8 0.5 4.0 6.6
9.7 3.6
0 2 -4
0 -1 1 -3 -3 3 -2 2 -3
3 -2 0 -3 -2 -3 2 -4 -4 -1 1
1 1
6 3 5 1 5 1 3 3 6 6
3
2
-2 2 2 -4 4 -4 -2 2 -4 -1 1 -1 1 0 -1 1
2 2 6
0
3 2 4 1 2 3 1 2 1 1 4 2
0
0 0
4
4 5 5 1 0 0 1 1 4 5 5
2 3 1 4 4 3 4 3 3 3 2
0
2.049 2.037 2.034 2.028 2.025 2.024 2.021 2.013 1.998 1.996 1.979 1.976 1.974 1.970 1.968
4 4 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 2 4 4 4 4 2 2 4 4 4 4 4
I El 8.7
0.9 2.8 3.4 4.0 1.1 5.6 2.8 0.2 0.3 0.6 0.2 10.2 5.2 1.3 0.3 0.5 0.3 2.2 0.6 0.2 0.5 0.7 0.7 0.3 1.5 3.6 5.0 2.1 7.5 4.3 0.2 0.4 4.2 1.2 2.5 1.9 4.4 3.1 3.1 0.6 1.5 0.4 0.4 1.6
PHI
Harmotome
Zeolites
l&323-802,
1996
561
RHO
Hvdrated
rho
COMPOSITION: CRYSTAL
DATA:
Iv&n (No. 229) h = 15.031 A a = 15.031 A 3 = 90” a = 90”
REFERENCE:
h
k
1 2 2 2 3 2 3 4 3 4 4 3 4 4
1 0 8.32 0 0 11.77 1 1 14.43 2 0 16.68 1 0 18.67 2 2 20.47 2 1 22.13 0 0 23.68 3 0 25.14 1 1 25.14 2 0 26.52 3 2 27.84 2 2 29.10 3 1 30.32
562
1
Zeolites
28
A
L. B. McCusker and Ch. Baerlocher, In Proc. 6th International Zeolite Conf., Ed by D. H. Olson and A. Bisio, Butterworths: Guildford, Surrey; pp. 812-822 (1984).
d
M
Ire,
hkl
10.628 7.515 6.136 5.314 4.753 4.339 4.017 3.758 3.543 3.543 3.361 3.205 3.068 2.948
12 6 24 12 24 8 48 6 12 24 24 24 24 48
70.2 1.9 5.0 18.2 49.0 13.0 16.2 7.8 2.6 100.0 49.5 11.4 8.4 7.1
5 5 4 4 5 4 6 5 6 6 5 6 6 5
16:323-602,
c = 15.031
y = 90”
1996
1 2 4 3 3 4 0 3 1 2 4 2 3 5
0 1 0 3 0 2 0 2 1 0 1 2 1 0
28
d
30.32 32.63 33.73 34.80 34.80 35.84 35.84 36.86 36.86 37.85 38.83 39.78 40.71 42.53
2.948 2.744 2.657 2.578 2.578 2.505 2.505 2.438 2.438 2.377 2.319 2.266 2.216 2.126
Af
Ire1
24 48 12 24 24 24 6 48 24 24 48 24 48 12
26.1 33.5 3.0 3.5 3.5 32.1 0.2 2.9 0.1 1.3 0.5 2.1 4.7 3.8
28
hkl 7 6 5 7 6 7 6 7 8 5 7 8
1 4 5 2 4 3 5 3 0 5 4 1
0 0 2 1 2 0 1 2 0 4 1 1
42.53 43.41 44.28 44.28 45.14 45.98 47.64 47.64 48.45 49.25 49.25 49.25
d
Iv
Ire1
2.126 2.084 2.046 2.046 2.009 1.974 1.909 1.909 1.879 1.850 1.850 1.850
24 24 24 48 48 24 48 48 6 24 48 24
2.9 0.1 5.5 0.3 0.3 1.4 6.8 1.5 8.5 4.0 2.5 1.1
Hydrated
RHO
rho
7 i -7
Zeolites
16:323-802,
1996
563
RHO
Pa hasapaite
(Lill.sNao.l92Kl.zCa5.5013.5)(Be24P24096).38H20
COMPOSITION:
Custer, S. Dakota, U.S.A. CRYSTAL
DATA:
123 (No. 197) a = 13.781 if cl = 90”
REFERENCE:
h k 1 1 1 0
20
d
M
Ire,
h
k
100.0 14.7 11.7 0.7
4 5 5 5 5 4 5 4 6 5 5 6 6 6 5 5
3 1 33.15 0 1 33.15 1 0 33.15 1 2 35.68 2 1 35.68 3 3 38.07 3 0 38.07 4 2 39.22 0 0 39.22 2 3 40.34 3 2 40.34 1 1 40.34 0 2 41.44 2 0 41.44 1 4 42.51 4 1 42.51
1 2
1 0
9.07 15.75 18.21
9.745 5.626 4.872
12 24 12
0 1
1 0
20.38 20.38
4.358 4.358
12 12
2
2
22.35
3.978
8
8.3
3 3 4 3 4 4 4 3 4 4
1 2 0 3 1 0 2 3 2 1
2 1 0 0 1 2 0 2 2 3
24.16 24.16 25.86 27.46 27.46 28.97 28.97 30.42 31.81 33.15
3.683 3.683 3.445 3.248 3.248 3.081 3.081 2.938 2.813 2.703
24 24 6 12 24 12 12 24 24 24
31.3 7.3 6.8 0.4 43.7 19.7 0.4 32.0 8.5 5.2
Zeolites
16:323-802,
c = 13.781 A y = 90”
R. C. Rouse, D. R. Peacor and S. Merlino, Am. Mineral. 74, 1195-1202 (1989).
2 2 3 3 2
564
b = 13.781 A p = 90”
1996
19.0
1
20
d
M
Ire,
hkl
2.703 2.703 2.703 2.516 2.516 2.363 2.363 2.297 2.297 2.236 2.236 2.236 2.179 2.179 2.127 2.127
24 12 12 24 24 24 12 24 6 24 24 24 12 12 24 24
3.4 9.9 0.3 4.2 5.5 1.2 2.3 1.1 7.4 5.3 0.4 6.1 0.6 3.1 0.9 3.3
6 6 6 4 5 5 5 7 7 6 5 6 7 7 6 6
20 2 2 43.56 1 3 44.59 3 1 44.59 4 4 45.61 3 4 46.60 4 3 46.60 5 0 46.60 0 1 46.60 1 0 46.60 0 4 47.58 5 2 48.54 3 3 48.54 1 2 48.54 2 1 48.54 2 4 49.49 4 2 49.49
d 2.078 2.032 2.032 1.989 1.949 1.949 1.949 1.949 1.949 1.911 1.875 1.875 1.875 1.875 1.842 1.842
M 1x1 24 24 24 8 24 24 12 12 12 12 24 24 24 24 24 24
6.2 2.1 0.1 4.0 1.6 0.7 3.8 1.3 1.1 1.8 0.3 0.7 0.3 0.7 3.9 0.1
RHO
Pahasapaite
Zeolites
16:323-602,
1996
565
RHO
Deuterated
COMPOSITION:
Rb24(BendAs24096).3.2DzO
CRYSTAL
123 (No. 197) a = 14.001 A cl = 90”
DATA:
REFERENCE:
hkl 1 1
0
2 2 2 3 3 2 3 3 4 3 4 4 4 3 4 4 4
0 1 0 1 0 2 2 1 0 0 1 2 0 2 2 3 1
566
0 1 2 0 1 2 1 2 0 3 1 0 2 3 2 1 3
26’
d
iv
IreI
hkt
9.900 7.001 5.716 4.950 4.427 4.427 4.042 3.742 3.742 3.500 3.300 3.300 3.131 3.131 2.985 2.858 2.746 2.746
12 6 24 12 12 12 8 24 24 6 12 24 12 12 24 24 24 24
51.7 9.7 17.6 4.4 22.9 1.5 4.9 23.1 84.6 1.6 2.7 100.0 53.3 4.0 65.5 27.0 6.3 22.7
5 5 5 5 4 4 5 5 4 6 5 5 6 6 6 5 5 6
16:323-802,
b = 14.001 A P = 90”
c = 14.001 A y = 90”
.J. B. Parise, D. R. Corbin, T. E. Gier. R.. L. Harlow, R. B. Von Dreele, Zeolites 12, 360-368 (1992). And J. B. Parise, Private Communication (1994).
8.93 12.64 15.50 17.92 20.05 20.05 21.99 23.78 23.78 25.45 27.02 27.02 28.51 28.51 29.93 31.30 32.61 32.61
Zeolites
berylloarsenate
1996
0 1 1 2 4 3 0 3 4 0 2 3 1 0 2 1 4 2
1 0 2 1 0 3 3 0 2 0 3 2 1 2 0 4 1 2
20
d
M
IreI
hkl
32.61 32.61 35.10 35.10 36.30 37.45 37.45 37.45 38.58 38.58 39.68 39.68 39.68 40.76 40.76 41.81 41.81 42.84
2.746 2.746 2.556 2.556 2.475 2.401 2.401 2.401 2.334 2.334 2.271 2.271 2.271 2.214 2.214 2.160 2.160 2.111
12 12 24 24 12 24 12 12 24 6 24 24 24 12 12 24 24 24
10.3 0.5 31.7 18.3 6.9 3.5 4.7 0.9 1.8 2.0 6.9 0.5 4.6 0.2 5.3 7.6 8.9 4.1
6 6 4 5 5 5 7 7 6 6 5 6 7 7 6 6 7 7
1 3 4 3 4 5 0 1 0 4 5 3 1 2 2 4 0 3
3 1 4 4 3 0 1 0 4 0 2 3 2 1 4 2 3 0
L. Abrams
and
20
Al
IreI
24 24 8 24 24 12 12 12 12 12 24 24 24 24 24 23 12 12
2.9 14.9 0.7 5.8 4.6 2.0 0.3 0.2 7.5 1.1 1.0 3.4 5.9 7.5 2.9 8.6 2.3 0.8
43.86 43.86 44.85 45.83 45.83 45.83 45.83 45.83 46.79 46.79 47.73 47.73 47.73 47.73 48.67 48.67 49.58 49.58
d 2.064 2.064 2.021 1.980 1.980 1.980 1.980 1.980 1.942 1.942 1.905 1.905 1.905 1.905 1.871 1.871 1.838 1.838
Deuterated
RHO
berylloarsenate
7
0 a
Zeolites
16:323-602,
1996
567
-RON
Roggianite
COMPOSITION:
Cals(Bes(OH)l&&2Allfi01o4) Pizxo Marcia, Val Vigezzo,
CRYSTAL
I4/mcm (No. a = 18.33 A cl! = 9o”
DATA:
REFERENCE:
hkl 110 2 0 2 2 2 1 3 1 4 0 0 0 3 2 3 3 1 1 4 2 2 0 4 1 2 2 5 1 3 1 4 3 4 0 5 2 5 3 3 3 4 2 6 2 6 1
568
28 6.82 0 9.65 0 13.66 1 14.50 0 15.29 0 19.37 2 19.38 1 19.97 0 20.56 2 20.57 0 21.68 2 21.69 1 22.23 2 23.79 0 24.77 2 24.77 1 26.18 2 27.53 1 27.96 0 28.39 2 28.40 2 29.24 0 30.85 1 31.25
Zeolites
140) b = 18.33 A p = 9o”
c = 9.16 8, y = 90”
G. Giuseppetti, F. Mazzi, C. Tadini and E. Galli, Neues Jahrb. Mineral. Monatsh. 7, 307-314 (1991).
d
M
I rel
h
k
1
12.961 9.165 6.481 6.109 5.797 4.582 4.580 4.445 4.320 4.318 4.099 4.097 3.999 3.740 3.595 3.594 3.403 3.239 3.191 3.144 3.143 3.054 2.898 2.862
4 4 4 16 8 4 2 16 4 8 8 8 16 8 8 16 16 8 16 8 8 16 8 16
100.0
2 5 5 4 6 3 5 7 5 6 6 4 6 7 7 4 8 0 6 5 5 1 8 2
1 1 4 4 3 2 5 1 3 4 0 1 2 2 3 3 0 0 5 2 5 1 2 0
3 31.26 2 31.64 I 32.78 2 33.89 1 34.24 3 34.26 0 34.60 0 34.60 2 34.61 0 35.31 2 35.31 3 35.67 2 36.69 1 37.03 0 37.36 3 38.37 0 39.32 4 39.34 1 39.64 3 39.65 2 39.96 4 39.98 0 40.58 4 40.61
16:323-802,
< 2.5H20 Italy.
1996
35.0 2.8 25.5 6.0 0.6 0.2 0.6 1.8 3.0 0.6 5.0 0.4 5.2 1.1 21.7 28.0 5.3 14.9 9.7 6.2 0.4 5.0 5.2
28
d
M
IreI
hkl
2.861 2.828 2.732 2.645 2.619 2.618 2.592 2.592 2.592 2.542 2.541 2.517 2.449 2.428 2.407 2.346 2.291 2.290 2.274 2.273 2.256 2.255 2.223 2.222
16 16 16 8 16 16 4 8 16 8 8 16 16 16 8 16 4 2 16 16 8 8 8 8
6.3 12.8 0.7 8.5 0.7 1.0 2.5 0.5 0.5 0.2 11.4 1.4 5.0 0.3 0.1 2.8 2.2 4.8 1.5 0.7 0.8 1.5 3.1 0.3
6 2 6 7 3 8 8 8 4 9 3 8 6 7 9 9 7 5 4 6 7 5 8 6
28 6 2 1 3 1 3 4 0 0 1 3 2 6 6 2 3 5 1 4 5 7 3 6 0
0 4 3 2 4 1 0 2 4 0 4 2 2 1 1 0 2 4 4 3 0 4 0 4
41.82 41.84 42.13 42.43 42.44 43.31 44.19 44.20 44.21 44.77 44.79 45.35 46.48 46.75 46.75 47.03 47.03 47.05 48.69 48.95 49.21 49.23 49.74 49.76
d
M
Ire1
2.160 2.159 2.145 2.131 2.130 2.089 2.049 2.049 2.048 2.024 2.023 2.000 1.954 1.943 1.943 1.932 1.932 1.931 1.870 1.861 1.852 1.851 1.833 1.832
4 8 16 16 16 16 8 8 8 8 8 16 8 16 16 8 16 16 8 16 4 16 8 8
0.8 0.8 0.3 2.6 0.3 0.5 0.6 3.1 0.2 2.0 0.5 0.3 0.5 1.9 0.3 5.5 0.1 0.6 0.2 0.9 3.2 7.7 1.0 0.9
-RON
Roggianite
Zeolites
16:323-602,
1996
569
RSN
RUB-17
COMPOSITION:
(K4Nal;?)(SimZn8072).18H20
CRYSTAL
Clml (No. 8) unique axis b: cell choice 1 a = 7.238 8, b = 40.56 H, c = 7.308 A D = 91.8” Q = 90” y = 90”
DATA:
REFERENCE:
h
k
1
26'
0 0 0 1 0 0 1 0 1 -1 0 1 0 -1 1 1 -1 1 0 0 I 1 0 2 0 2 0 0 -1 2 0 1 -1 1 -2 -2 0 1 -1 2 2 2 1 -2 0
2 4 0 1 2 6 3 4 5 1 8 1 6 3 3 7 5 5 8 10 9 7 0 0 2 2 10 4 9 4 12 9 1 11 0 2 6 1 3 0 6 2 3 4 12
0 0 1 0 1 0 0 1 0 1 0 1 1 1 1 0 1 1 1 0 0 1 2 0 2 0 1 2 1 0 0 1 2 0 1 1 2 2 2 1 0 1 2 1 1
4.36 8.72 12.12 12.43 12.88 13.10 13.88 14.95 16.42 17.12 17.49 17.66 17.88 18.21 18.72 19.63 20.22 20.68 21.33 21.91 23.25 23.34 24.37 24.61 24.77 25.01 25.11 25.93 26.12 26.16 26.37 26.48 27.09 27.14 27.16 27.52 27.76 27.79 27.81 27.86 27.98 28.22 28.50 28.58 29.11
570
Zeolites
d 20.280 10.140 7.304 7.122 6.872 6.760 6.379 5.927 5.399 5.180 5.070 5.022 4.961 4.872 4.740 4.523 4.391 4.294 4.165 4.056 3.825 3.812 3.652 3.617 3.594 3.561 3.546 3.436 3.412 3.407 3.380 3.366 3.291 3.285 3.283 3.241 3.213 3.210 3.208 3.202 3.189 3.163 3.132 3.123 3.068
16:323-802,
C. Riihrig and H. Gies, Angew. Chern. Int. Ed. Engl. 34, 63-65 (1995).
M
I*-,1
h
k
1
20
d
111
2 2 2 4 4 2 4 4 4 4 2 4 4 4 4 4 4 4 4 2 4 4 2 2 4 4 4 4 4 4 2 4 4 4 2 4 4 4 4 2 4 4 4 4 4
0.5 16.5 3.5 6.0 46.7 1.4 100.0 7.6 4.3 24.4 28.4 27.9 31.0 5.4 11.5 0.1 1.7 5.1 7.8 0.1 2.2 0.6 4.2 1.6 0.5 4.0 15.5 18.7 1.0 5.3 32.9 0.7 24.8 37.8 5.4 34.4 38.5 17.2 14.8 6.6 58.7 19.7 12.3 1.9 5.8
-1 2 -1 1 1 0 -2 2 0 2 -1 1 1 -2 2 2 0 -1 -1 1 1 -2 -2 -2 0 1 2 -2 2 2 0 2 -1 2 -2 0 1 0 3 0 1 3 0 -2 -1
5 41 11 5 11 8 6 8 14 6 7 13 7 8 8 10 14 13 9 13 9 0 2 10 16 15 0 4 10 2 12 12 11 4 6 0 11 2 1 16 15 3 4 12 1
2
29.20 29.25 29.66 29.85 29.98 30.16 30.27 30.35 30.86 30.90 31.17 31.22 31.79 32.49 33.09 33.18 33.27 33.45 33.65 33.75 34.23 34.34 34.63 35.17 35.41 35.44 35.47 35.50 35.73 35.76 36.21 36.38 36.53 36.60 36.90 36.92 37.07 37.19 37.36 37.56 37.72 37.90 38.01 38.22 38.71
3.059
4
1996
1 2 1 2 1 0 0 1 2 0 2 1 1 0 1 1 2 1 2 2 2 1 0 0 2 2 1 2 2 0 2 2 2 3 2 3 0 1 1 0 3 1 3
3.053 3.012 2.993 2.980 2.963 2.953 2.945 2.897 2.894 2.869 2.865 2.815 2.756 2.707 2.700 2.693 2.679 2.664 2.656 2.620 2.611 2.590 2.552 2.535 2.533 2.531 2.529 2.513 2.511 2.481 2.470 2.460 2.455 2.436 2.435 2.425 2.417 2.407 2.395 2.385 2.374 2.368 2.355 2.326
4 4 4
4 4 4 4 4 2 4 4 2 4 2 4 4 4 4 4 4 2 4 4
I IX!1 21.2 4.0 9.2 9.2 11.6 12.4 8.4 0.1 1.2 2.2 1.0 1.6 8.9 5.4 23.6 2.3 10.0 5.3 1.0 2.7 5.7 16.6 1.3 8.5 10.9 2.4 7.8 2.5 6.4 5.2 2.8 1.8 8.7 1.9 0.1 3.0 4.2 2.3 2.3 6.3 1.7 3.2 1.5 3.7 0.3
h
k
1
28
2 -2 3 -3 -1 0 1 -3 0 -1 1 3 2 2 1 0 1 -1 3 3 -3 1 -2 0 3 -1 -1 1 0 2 -3 2 1 3 3 -1 0 0 2 1 -1 -2 -3 -2 1
12 8 5 1 3 6 1 3 14 13 17 1 8 14 3 18 13 5 3 7 5 5 10 8 5 17 7 17 18 14 7 10 7 9 7 15 10 16 16 15 9 12 9 0 19
1 2 0 1 3 3 3 1 2 2 0 1 2 0 3 0 2 3 1 0 1 3 2 3 1 1 3 1 1 1 1 2 3 0 1 2 3 2 0 2 3 2 1 3 0
38.74 38.79 38.96 39.03 39.24 39.33 39.48 39.55 39.71 39.74 39.78 39.79 39.81 39.87 40.00 40.01 40.25 40.27 40.31 40.52 40.58 41.02 41.11 41.13 41.32 41.61 41.79 41.86 41.96 42.06 42.08 42.08 42.51 42.52 42.80 43.24 43.34 43.45 43.60 43.71 43.74 43.81 44.02 44.18 44.24
d 2.324 2.321 2.311 2.308 2.296 2.291 2.282 2.279 2.270 2.268 2.266 2.265 2.264 2.261 2.254 2.253 2.241 2.239 2.237 2.226 2.223 2.200 2.196 2.195 2.185 2.170 2.162 2.158. 2.153 2.148 2.147 2.147 2.127 2.126 2.113 2.092 2.088 2.082 2.076 2.071 2.070 2.067 2.057 2.050 2.047
M
Ire1
4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4
4.7 2.2 5.3 1.7 0.7 0.1 3.2 2.7 3.2 4.6 4.2 2.0 5.1 3.3 4.9 1.4 0.3 0.9 1.9 2.5 1.8 2.7 1.2 4.2 0.8 7.1 1.4 1.4 4.4 0.3 1.8 0.1 0.5 2.6 1.8 1.5 0.4 5.6 1.6 4.5 6.0 1.7 0.2 1.0 1.1
RSN
RUB-17
J -2
Zeolites
16:323-602,
1996
571
RTE
RUB-3
COMPOSITION:
(Si2404s).2(exo-2-aminobicyclo[2.2.l.]heptan)
CRYSTAL
Cl 2/m 1 (No. a = 14.039 A cl! = 90”
DATA:
REFERENCE:
B. Marler, A. Griinewald-Liike Zeolites 15, 388-399 (1995).
and H. Gies.
26
d
M
I l-621
h
k
1
20
d
M
I,,,
h
k
1
20
d
M
Ire1
4 2 2
100.0 9.4
1 1
30.74 31.10
2.909 2.875
4 2
6.0
-1
3
3
41.58
2.172
2
41.97
2.152
4
1.0 0.1
14.13 17.87
6.269 4.963
4 4
4 4
0
0
1
1 2 3
0 1 0
18.37 19.59 20.49 20.51 20.63
4.830 4.531 4.335 4.330 4.305
4 2 4 4 4
2 4 6 0 0 5 3 5
0
1 1
6 -4 2 -6 2 1 -3 -3 6
2.168 2.165
6.801
4 2
41.67 41.72
13.02
2.871 2.807
0 2
0
31.16 31.88
0.1 0.1 2.2
0.3 0.8
2 2
4 4 4
2 1 2 2
2 3 2 3 2
42.00 42.14 42.88 43.29 43.72
2.151 2.144 2.109 2.090 2.070
2 2 4 4 4
0.2 0.3 0.8 0.2 0.4
0 3
1 3
43.96 44.13
2.060 2.052
2
1.6
1
1
21.67
4.102
4
-2 4 -1 -4 3 2 2 5 1 4 -3 -4
4
1 0
9.660 7.260 6.861
3
44.29
2.045
0.2 0.2
3 2 0 1 0 1 0 4 0 1 3 2 2 3 4 2 4 2 0
1
23.31
3.816
4
1
44.70
2.027
4
02-i
1
23.60
3.770
4
3.630 3.578 3.532 3.431 3.430 3.401 3.391 3.243 3.220 3.202 3.135
2 4 2 4 2 2 2 4 4 4 4
45.63 46.03
4
24.52 24.88 25.21 25.97 25.97 26.21 26.28 27.51 27.70 27.86 28.47
3 3
1.988
2 2 2 1 0 0 1 2 0 2 2
2 6 4 4 2
4 4
1 3 1
46.04 46.50 46.82
1.972 1.971 1.953 1.940
4 4 4 4
0.8 0.5 0.3
1
28.60
3.121
4
1
29.00
3.079
4
47.03 47.66 48.11 48.27 48.29 48.34 48.59 48.65 48.92
1.932 1.908 1.891 1.885 1.885 1.883 1.874 1.872 1.862
4 4 4 4 4 4 4 2 4
0
29.16
3.063
4
0 2 0 2 1 2 1 3 3 4
49.13 49.79 49.81
1.854 1.831 1.831
2 4 4
1
1
0
0
0 0
572
12) unique axis b, cell choice 1 b = 13.602 A c = 7.428 ii p = 102.22” y = 90”
9.15 12.19 12.90
hkl
2 0 -1 0 2 2 3 -2 1 -3 -1 2 0 -1 -2 3 4 0 -4 1 3 0 -2 -3 0 4 2 -4 2
SiO:, framework
0
29.31
3.047
4
1
29.43
3.035
4
2
30.19
2.960
2
Zeolites
16:323-802.1996
10.3 12.4 35.6 14.8 2.1 18.0 6.2 9.3 13.2 12.9 0.9 0.1 6.0 1.0
2.0 5.2 3.1 5.0 2.6 10.7 2.5 0.6 4.4 1.3 3.5 2.7 3.1 3.6 0.3
0
3 0 3 4 2
1 1
32.04 32.93
2.793 2.720
2
33.00
2.714
4
1
0
33.31
2.690
4
3 2 3 2
2 1 2 2
33.33 33.85 34.36 34.56
2.689 2.648 2.610 2.595
4 4 4 4
5
1
35.36
2.539
4
0
4
2
36.20
2.482
1
5
1
36.34
2.472
-2 -2 -1 -5 -4 5 -5 5 3 -6 -3 -2 0
0 4 1 1 4 3 3 5
3 2 3 2 1 1 1 0 0
36.67 36.68 36.92 37.25 37.45 38.01 38.09 38.34 38.50
2.451 2.450 2.434 2.414 2.401 2.367 2.362 2.348 2.338
4 4 2 4 4 4 4 4 4 4 4
0 1
1 3
38.70 38.81
2.327 2.320
2 4
0.7
2 2
3 3
39.07 39.53
2.306 2.280
4 4
0.1
1
1
3
39.72
2.269
4
2 -6
4 2
2
40.40
2.233
4
1
40.99
2.202
4
0.2 1.1 0.1
-1
1
1.7
0.2 1.3 0.7 1.1 1.5 0.3 0.3 4.7 0.2 0.1 1.8 0.3 0.4 1.7 1.6 1.1 0.5 0.1
0.7 0.5 0.4
1
2 2 -2 0 6 3 -5 5 -2 4 4 -4 -7 -1 -6 -5 -2 -7
5 5 6 6 4 6 1 7 0 3 0 3
-1
5
1
1 3
1.6 0.9
1.2 0.3 0.1
0.2 0.4 1.3 1.7 0.1
0.3 1.0 0.5
0.3
RUB-3 50,
framework
Zeolites
16:323-602,
1996
573
RTH
RUB-13
COMPOSITION:
(Si30.4Bl.sOs4).1.7(1,2,2,6,6,
CRYSTAL
Cl 2/m 1 (No. a = 9.659 A cl = 90”
DATA:
REFERENCE:
h
k
1
0 0 1 0 -1 1 1 0 -1 0 2 1 0 -2 -1 0 2 -2 2 2 -1 -2 -1 1 0 2 1 -2 0 -2 0 2 0 2 3 -1 0 -2 1 1 3 3 -1 -3
2 0 1 2 1 1 3 4 3 0 0 3 4 0 1 2 2 2 0 2 3 0 5 3 4 4 5 2 6 4 0 0 6 4 1 1 2 4 1 5 1 3 3 3
0 1 0 1 1 1 0 0 1 2 0 1 1 1 2 2 0 1 1 1 2 2 1 2 2 0 1 2 0 1 3 2 1 1 0 3 3 2 3 2 1 0 3 1
574
20 8.64 9.05 10.18 12.53 12.92 14.33 15.94 17.34 17.83 18.17 18.49 18.88 19.59 19.66 19.91 20.15 20.45 21.51 21.55 23.26 23.44 24.47 24.97 25.06 25.21 25.45 25.74 26.00 26.13 26.33 27.40 27.51 27.71 27.79 28.24 28.26 28.78 30.15 30.30 30.63 30.71 30.88 30.90 31.29
Zeolites
d 10.231 9.766 8.688 7.064 6.854 6.180 5.559 5.115 4.975 4.883 4.798 4.699 4.531 4.516 4.459 4.407 4.344 4.131 4.123 3.824 3.796 3.637 3.567 3.554 3.532 3.499 3.461 3.427 3.410 3.385 3.255 3.242 3.220 3.210 3.160 3.158 3.102 2.964 2.950 2.919 2.912 2.896 2.894 2.858
16:323-802,
S. Vortmann, Microporous
AI
I rel
h
k
2 2 4 4 4 4 4 2 4 2 2 4 4 2 4 4 4 4 2 4 4 2 4 4 4 4 4 4 2 4 2 2 4 4 4 4 4 4 4 4 4 4 4 4
100.0 56.4 55.0 4.0 0.8 5.0 1.6 1.7 6.2 0.7 0.1 24.6 2.2 17.3 12.7 8.0 6.1 1.3 1.7 9.2 3.1 0.6 0.9 3.8 12.5 5.4 16.7 5.8 0.2 1.8 0.2 0.9 1.3 0.6 3.7 1.3 1.7 3.0 0.9 1.0 3.9 7.5 1.2 0.8
-2 -3 1 0 2 0 -2 2 1 -2 -1 3 1 2 -3 2 3 3 -1 -2 -2 2 -1 -1 1 -3 4 -4 1 3 3 0 0 2 4 -1 -3 0 -4 2 0 1 4 -1
0 1 7 6 6 4 2 4 3 6 7 3 7 6 3 0 1 5 5 4 6 2 7 1 5 1 0 0 7 5 3 2 6 6 2 3 3 8 0 8 4 3 4 9
1996
-pentamethylpiperidine)
12) unique axis b, cell choice 1 b = 20.461 A c = 9.831 A 13 = 96.58” y = 90”
B. Marler, H. Gies and P. Daniels, Materials 4. 11 l-121 (1995).
1 3 2 0 2 0 3 3 2 3 1 1 1 1 1 2 3 2 0 3 3 2 3 2 4 3 3 0 1 2 1 2 4 3 2 0 4 3 2 2 0 4 4 0 1
28
d
AI
I,,,
h
k
31.39 31.94 32.01 32.01 32.20 32.60 32.62 32.70 32.79 32.91 33.03 33.17 33.63 34.12 34.32 35.04 35.54 35.63 35.64 36.08 36.10 36.16 36.49 37.20 37.32 37.35 37.49 37.57 37.60 37.66 37.72 37.88 38.22 38.31 38.55 39.31 39.44 39.78 39.93 39.94 40.96 41.36 41.58 41.62
2.850 2.802 2.796 2.796 2.780 2.746 2.745 2.738 2.731 2.721 2.712 2.701 2.665 2.628 2.612 2.561 2.526 2.520 2.519 2.489 2.488 2.484 2.462 2.417 2.409 2.408 2.399 2.394 2.392 2.389 2.385 2.375 2.355 2.349 2.336 2.292 2.285 2.266 2.258 2.257 2.203 2.183 2.172 2.170
2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 2 2 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4
0.4 0.4 2.0 1.7 1.1 0.5 4.9 0.4 2.6 0.2 0.5 1.9 0.3 2.5 0.6 0.2 1.0 0.4 1.0 0.8 0.5 0.1 0.2 1.2 0.4 0.4 0.3 2.1 1.3 0.1 0.2 0.2 0.8 0.4 0.1 0.2 0.9 0.1 0.3 0.2 0.4 0.1 0.4 0.4
-4 3 3 3 1 -3 -2 1 -3 -2 4 3 -3 -4 -1 -3 4 0 1 -4 -4 0 -1 2 -5 3 5 -4 -2 4 0 -1 2 -3 -2 -2 3 -5 -5 5 -3 1
4 5 7 1 9 7 8 7 5 4 4 7 1 0 9 7 2 8 5 2 6 0 1 4 1 5 1 4 6 6 10 3 10 7 10 2 9 3 1 3 5 11
1 1 2 0 3 1 1 2 3 3 4 1 1 4 3 2 2 2 3 4 3 1 5 5 4 1 3 0 3 4 1 2 5 0 3 1 5 0 1 2 0 4 0
20
d
41.65 41.79 41.87 42.04 42.12 42.19 43.24 43.36 43.38 43.38 43.62 43.65 44.24 44.26 44.51 44.58 44.85 45.08 45.16 45.18 46.34 46.49 46.59 47.13 47.43 47.58 47.59 47.87 47.93 48.15 48.22 48.35 48.36 48.80 48.87 49.12 49.17 49.17 49.18 49.33 49.58 49.94
2.168 2.161 2.158 2.149 2.145 2.142 2.092 2.087 2.086 2.086 2.075 2.073 2.047 2.046 2.035 2.033 2.021 2.011 2.008 2.007 1.959 1.953 1.950 1.928 1.917 1.911 1.911 1.900 1.898 1.890 1.887 1.882 1.882 1.866 1.864 1.855 1.853 1.853 1.852 1.847 1.838 1.826
M 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4
Ire1 0.3 0.4 0.6 0.4 0.4 0.5 1.0 1.9 0.2 0.8 0.5 0.2 0.3 0.2 0.5 0.2 0.8 0.2 0.1 0.4 0.3 0.4 0.3 0.3 0.8 0.2 0.1 0.2 0.2 1.8 0.1 0.7 0.2 0.3 0.2 0.5 0.7 0.2 0.1 0.1 0.5 0.8
RTH
RUB-13
7
-J
Zeolites
16:323-802,
1996
575
RUT
RUB-10
COMPOSITION:
(SidhO72).4C4Hl2N
CRYSTAL
P121/a 1 (No. a = 13.112 A ck!= 90”
DATA:
REFERENCE:
hkl 0 1 0 -1 -2 0 1 2 0 0 -1 -2 0 1 2 -2 -1 2 0 1 -3 -2 1 0 -2 -1 -3 -1 3 0 2 1 -2 -1 2 -3 0 -3 -2 3 2 -2 0 -4 -4
576
0 1 1 1 0 2 1 0 0 2 1 0 1 2 0 2 2 2 2 1 1 2 3 3 0 3 1 1 1 0 2 3 3 3 0 2 3 1 2 2 1 3 2 0 0
1 0 1 1 1 0 1 0 2 1 2 2 2 1 1 1 2 0 2 2 1 2 0 1 3 1 2 3 0 3 1 1 1 2 2 2 2 3 3 0 2 2 3 2 1
Zeolites
SiO, framework
H. Gies and J. Rim, Z. Kristallogr. 210. 475-480 (1995).
28
d
M
I rel
7.77 10.06 10.37 10.77 13.64 13.73 14.41 14.73 15.58 15.79 15.89 16.64 17.03 18.72 19.25 19.40 19.89 20.19 20.82 20.92 21.49 21.64 21.95 22.09 22.17 22.29 22.52 22.66 23.24 23.46 23.72 24.30 24.83 25.22 25.49 25.54 25.97 26.03 26.17 26.17 26.42 26.64 27.28 27.48 27.50
11.378 8.797 8.534 8.215 6.491 6.451 6.146 6.012 5.689 5.612 5.576 5.326 5.205 4.741 4.610 4.576 4.464 4.398 4.267 4.246 4.135 4.108 4.050 4.023 4.009 3.988 3.947 3.924 3.828 3.793 3.751 3.663 3.585 3.531 3.495 3.488 3.431 3.424 3.405 3.405 3.373 3.346 3.269 3.246 3.243
2 4 4 4 2 2 4 2 2 4 4 2 4 4 2 4 4 4 4 4 4 4 4 4 2 4 4 4 4 2 4 4 4 4 2 4 4 4 4 4 4 4 4 2 2
0.4 29.5 0.6 100.0 22.7 25.1 62.1 0.9 4.3 0.9 8.9 6.7 0.4 0.4 0.8 0.5 0.8 13.2 11.0 0.2 1.6 2.2 9.1 0.1 12.8 21.1 7.9 21.6 22.1 4.4 0.4 2.1 0.1 1.3 10.5 0.5 0.4 0.8 2.8 0.2 0.3 0.8 0.7 4.5 0.9
16:323-602,
14) unique axis b, cell choice 3 b = 12.903 A c = 12.407 A p = 113.50” y = 90”
1996
hkl 0 -4 1 1 0 -2 2 -3 4 -3 -1 -1 -4 3 4 1 -4 -3 0 2 0 -2 -1 -2 2 -3 -4 2 2 -3 -4 3 4 1 0 1 -3 -4 -4 -5 3 2 -5 -2 1
4 1 4 3 4 0 2 3 0 3 3 1 1 3 1 2 2 1 0 4 4 2 2 4 0 3 2 3 1 2 0 3 0 4 2 3 4 3 3 1 2 2 1 4 1
0 2 0 2 1 4 2 1 0 2 3 4 3 0 0 3 1 4 4 0 2 4 4 2 3 3 3 2 3 4 4 1 1 2 4 3 1 2 1 2 2 3 1 3 4
28
d
M
27.65 28.35 28.65 28.72 28.77 28.88 29.06 29.15 29.72 29.93 30.04 30.07 30.48 30.48 30.53 30.70 30.86 31.23 31.45 31.47 31.89 32.10 32.43 32.45 32.55 32.70 32.81 33.03 33.30 33.52 33.65 33.72 33.74 34.21 34.46 34.50 34.57 34.62 34.64 34.92 35.00 35.48 35.63 35.72 35.90
3.226 3.148 3.116 3.108 3.103 3.092 3.073 3.064 3.006 2.985 2.975 2.972 2.933 2.932 2.928 2.912 2.898 2.864 2.845 2.842 2.806 2.788 2.761 2.759 2.751 2.738 2.729 2.712 2.690 2.673 2.663 2.658 2.657 2.621 2.603 2.599 2.594 2.591 2.590 2.569 2.564 2.530 2.520 2.513 2.501
2 4 4 4 4 2 4 4 2 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 2 4 4 4 4 4 2 4 2 4 4 4 4 4 4 4 4 4 4 4 4
I rel 11.9 0.3 0.2 0.5 0.1 1.0 5.9 0.7 1.8 2.7 3.7 0.6 0.2 3.9 0.1 0.1 4.2 4.6 4.4 5.5 2.5 0.4 0.3 3.0 1.7 1.3 4.7 0.2 0.3 0.1 0.3 0.8 5.7 0.1 1.1 0.5 0.1 0.3 0.2 0.2 0.2 0.1 0.1 0.2 0.3
h, k -5 -2 0 4 -5 -3 1 -2 -3 -1 -1 2 5 -5 0 -2 -5 -2 -4 -4 -4 -3 0 4 2 -5 1 -2 -3 -5 4 3 -3 -5 -6 -4 -2 5 -6 0 0 -6 0 -6 2
1 0 4 2 2 3 5 5 1 5 1 4 1 2 5 5 1 2 0 4 4 2 0 1 0 3 5 4 5 3 4 2 5 3 0 2 5 1 1 6 2 1 4 0 2
1
20
d
M
Ire,
3 5 3 1 2 4 1 1 5 2 5 2 0 3 2 2 4 5 5 2 1 5 5 2 4 2 2 4 1 1 0 3 2 3 2 5 3 1 2 0 5 3 4 1 4
36.04 36.21 36.57 36.58 37.01 37.06 37.14 37.50 37.51 37.77 37.84 37.96 38.06 38.07 38.30 38.77 38.83 38.89 38.97 39.38 39.40 39.48 39.60 39.72 40.11 40.29 40.30 40.41 40.61 40.91 41.04 41.19 41.20 41.28 41.37 41.50 41.62 41.97 41.98 42.01 42.11 42.35 42.36 42.57 42.59
2.492 2.481 2.457 2.456 2.429 2.426 2.421 2.398 2.398 2.381 2.378 2.370 2.364 2.363 2.350 2.322 2.319 2.316 2.311 2.288 2.287 2.283 2.276 2.269 2.248 2.238 2.238 2.232 2.221 2.206 2.199 2.191 2.191 2.187 2.182 2.176 2.170 2.153 2.152 2.151 2.146 2.134 2.133 2.124 2.123
4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4 2 4 2 4 4 4 4 4 4 4 4 4 2 4 4 4 4 2 4 4 4 2 4
0.6 1.5 1.8 0.2 0.4 0.5 2.2 0.1 0.4 0.4 0.7 0.3 0.5 0.1 0.1 0.2 2.6 1.9 0.8 0.9 3.9 0.3 0.3 0.4 0.4 0.3 0.4 0.7 0.3 0.3 0.5 0.2 0.8 0.4 0.1 0.4 0.1 0.2 0.2 1.7 0.2 0.1 0.7 0.5 0.1
RUT
RUB-10 SiO, framework
rJ
-3
Zeolites
16:323-802,
1996
577
SGT
1-aminoadamantane
COMPOSITION:
(Sis40128).4C10H17N
CRYSTAL
I4
DATA:
1/ amd (No. 141) origin at centre (2/m)
a = 10.2387 I! cl = 90”
REFERENCE:
hk 10 00 10 11
10 20 20 211 11 10 20 00 213 20 215 22 10 30 21 22 20 30 312 1 1 30 314 1 0 219
578
1 1 4 3 2 5
0 2 6 7
4 8 6 0 9 1 7 4 8 3 10 5 11
Zeolites
d
26, 9.01 10.29 11.59 13.27 15.52 17.32 18.08 19.56 19.76 20.05 20.19 20.67 20.89 23.30 23.34 24.59 24.88 26.24 26.61 26.72 27.09 27.26 28.04 28.74 29.21 29.48 29.89 30.47
9.813 8.596 7.635 6.672 5.709 5.119 4.906 4.539 4.493 4.429 4.398 4.298 4.252 3.818 3.811 3.620 3.579 3.396 3.349 3.336 3.292 3.271 3.182 3.106 3.057 3.030 2.989 2.933
16:323-802,
sigma-2
b = 10.2387 A p = 90”
c = 34.3829 A y = 90”
L. B. McCusker, J. Appl. Cry&. 21: 305--310 (1988).
&I 8 2 8 8 8 4 8 16 8 8 8 2 16 8 16 4 8 8 16 8 8 8 16 8 8 16 8 16
1996
IreI 75.0 15.8 7.5 5.3 3.7 1.2 1.9 99.1 100.0 1.4 35.8 10.2 8.1 1.2 12.1 5.2 2.8 20.2 0.2 46.7 25.1 5.9 1.3 1.2 10.4 2.2 15.3 0.6
h, 0 2 321 3 30 22 32 32 318 2 1 40 30 40 2 411 32 413 33 40 1 2 42 32 42 2 33 417
k
1
0 0
12 10
1
6 7 8 3 5
1 0
0
11 13 0 9 2 12 7
1 1
2
2 6 14 13 0 9 2 12 6
20 31.22 31.34 31.61 31.74 31.93 32.33 32.48 34.16 34.69 34.75 35.04 35.06 35.26 35.46 35.92 36.27 36.55 37.04 37.64 38.52 38.72 39.34 39.35 39.54 39.72 40.14 40.56 40.71
d 2.865 2.854 2.830 2.819 2.803 2.769 2.756 2.625 2.586 2.582 2.561 2.560 2.545 2.532 2.500 2.477 2.458 2.427 2.390 2.337 2.326 2.290 2.289 2.279 2.269 2.247 2.224 2.216
AJ 2 8 16 16 8 8 16 16 16 16 8 4 8 8 8 16 16 16 8 8 8 16 8 16 16 8 8 16
Irrl
hk
3.6 2.8 5.3 5.9 4.0 0.5 8.8 11.6 6.0 3.8 1.0 5.4 0.4 0.5 8.9 0.3 0.3 0.3 1.5 0.9 0.1 1.0 2.5 0.7 1.2 3.0 0.8 5.3
2 0 3 42 4 2 43 50 42 43 50 512 1 2 3 43 50 3 4 4 3 52 51 43 1 52
0 0 1 0 1
0 0 3
1 1 2 0
1
I
28
d
h4
Irel
14 16 12 6 10 15 1 1 8 3 3
40.75 42.05 42.11 42.52 44.11 44.18 44.31 44.31 44.85 ‘44.97 44.97 45.48 45.73 45.79 45.94 46.26 46.26 46.40 46.72 47.72 47.80 47.92 48.01 48.14 49.34 49.75
2.214 2.149 2.146 2.126 2.053 2.050 2.044 2.044 2.021 2.016 2.016 1.994 1.984 1.981 1.975 1.963 1.963 1.957 1.944 1.906 1.903 1.898 1.895 1.890 1.847 1.832
8 2 16 16 8 16 16 8 16 16 8 16 8 8 8 16 8 16 16 16 8 16 16 16 8 16
0.2 0.5 0.6 3.3 1.3 0.2 0.6 0.6 0.8 6.9 1.0 2.7 3.4 2.0 1.4 1.2 0.7 2.5 1.3 0.4 0.9 1.4 6.7 1.1 2.2 0.5
17 16 10 5 5 14 11 10 15 1 6 7 18 5
1-aminoadamantane
SGT
sigma-2
Zeolites
16:323-802,
1996
579
SOD
Sodalite
COMPOSITION:
Nas(SisAls024).8HzO
CRYSTAL
Pa3n (No. 218) a = 8.848 A b = 8.848 A
DATA:
REFERENCE:
k
1
29
d
M
Irei
1 2 2 2 2
1 0 1 1 2
0 0 0 1 0
14.16 20.07 22.47 24.65 28.53
6.257 4.424 3.957 3.612 3.128
12 6 24 24 12
61.8 15.1 3.6 100.0 19.6
16:323-802.
A
J. Felsche, S. Luger and Ch. Baerlocher, Zeolites 6, 367-372 (1986).
h
Zeolites
c = 8.848 y = 90”
p = 90”
cl = 90”
580
octahydrate
1996
h k
1
28
d
A4
Ire1
h k
1
20
d
M
IreI
3 2 3 4 3
0 2 1 0 0
31.99 35.13 38.05 40.79 43.39
2.798 2.554 2.365 2.212 2.086
24 8 48 6 12
94.6 75.7 13.9 2.7 15.8
4 4 4 3
1 0 1 2
43.39 45.86 47.06 48.24
2.086 1.978 1.931 1.886
24 24 48 24
19.6 4.9 0.1 7.5
1 2 2 0 3
1 2 2 3
Sodalite
SOD
octahydrate
Zeolites
l&323-802,
1996
581
SOD
Bicchulite
COMPOSITION:
Cas(SidAlsOgq).8H2O Synthetic material.
CRYSTAL
IT3m (No. 217) a = 8.825 A b = 8.825 A cy = 90” /3 = 90”
DATA:
REFERENCE:
hkl 1 2 2 2
582
1 0 1 2
0 0 1 0
Zeolites
28 14.19 20.12 24.71 28.61
d 6.240 4.412 3.603 3.120
16:323-802,
K. Sahl, Z. Kristallogr.
Au 12 6 24 12
1996
IreI 0.1 3.3 82.5 7.2
hkl 3 2 3 4
1 2 2 0
0 2 1 0
c = 8.825 A y = 90”
152, 13-21 (1980).
26’
d
32.07 35.23 38.16 40.90
2.791 2.548 2.359 2.206
AI 24 8 48 6
Ird 100.0 27.7 24.3 14.3
hkl 3 4 4 3
3 1 2 3
0 1 0 2
28
d
43.51 43.51 45.99 48.38
2.080 2.080 1.973 1.882
AJ 12 24 24 24
Ire1 18.3 24.7 5.2 3.2
SOD
Bicchulite
Zeolites
16:323-802,
1996
583
SOD
Tugtupite
COMPOSITION:
Nas(SigAlzBezO24)Cln Ilimaussaq, South Greenland.
CRYSTAL
13 (No. 82) a = 8.640 A ci = 90”
DATA:
REFERENCE:
hlcl 1 1 0 2 1 1 2 2 2
1 0 2
0
0
1 2 1
0
2 1 1 2
14.31 14.50 20.01 20.56 24.80 25.14 25.14 28.85
2
0
29.24
1
0
3 1
0 3
3 1
31.98 32.69 32.78
584
0
IreI
h k
1
6.190 6.109 4.436 4.320 3.590 3.543 3.543
8 4 2 4 8 8 8
66.0
3 2
12.1 3.2
2
1
0 2 3 3 2 2
32.78
9.6
3.095
8
3 2
1 1
38.93 38.93
3.055 2.798 2.739 2.732
4
0 0
4
1
4 3
40.67 41.82 43.40 43.88
d
Zeolites
16:323-802.
8
1
59.5
1
100.0 86.2 1.2 3.1 8.2
3 2 3
8.9
8 4
0.3
1996
0 4 1 3
c = 8.873 A y = 90”
and H. D. Grundy, Mineralogist 29, 385-390
A4
20 0 1 0
I. Hassan Canadian
b = 8.640 A p = 90”
1 2 2 1 3
0
0
20 35.69 38.32 38.32 38.70 38.70
d 2.732 2.516
2.349 2.349 2.326 2.326 2.313 2.313 2.218 2.160 2.085 2.063
(1991).
M
Ire1
4
5.9 33.8 5.6 13.7
8 8 8
8 8 8
8 2 4 8 8
5.9 5.2 11.4 5.4
1.0 1.7 16.7 22.6
hkl 1 4 4 3 2 4 2 4 2 3 3
1 3
20 1 1
44.42 44.42
0
44.49
0 0
4 2
4 2 3 2 3
0 0
45.99 46.78 47.03 47.03
3 3 2
48.92 48.92 49.23
d
fir
Ire1
2.039 2.039 2.036 1.973 1.942 1.932
8 8 4 8 8 4 4
12.5 11.2 14.0 1.8 8.3 1.3 1.3 1.5 7.1 1.2
1.932 1.862 1.862 1.851
8 8 8
SOD
Tugtupite
Zeolites
16:323-802,
1996
565
STI
Stilbite
COMPOSITION:
(Nal.asCa4.lsMgo.ls)(si~~.~~~lo.3~~2).3~.~~2~ Iceland.
CRYSTAL
Cl 2/m 1 (No. a = 13.64 A cl = 90”
DATA:
E. Galli, Acta Cryst.
REFERENCE:
h
k
1
20
d
I rel
-1 1 0 0 -2 0 -2 -2 2 -1 1 -1 -2 2 0 0 -3 -3 -1 0 1 0 -2 -2 2 -3 -3 3 -2 2 -2 -1 1 2 -4 -1 1 -4 -4 0 -4 -3 3 0 -1
1 1 2 0 0 21 2 0 0 3 3 1 2 2 4 0 1 1 3 4 3 2 4 0 01 1 3 1 4 4 2 5 5 2 0 1 1 0 2 4 0 3 3 6 5
1 0 0 1 1
9.46 9.55 9.70 9.96 12.98 13.92 16.23 16.28 16.49 16.70 16.75 16.96 18.98 19.17 19.47 20.00 20.68 20.81 21.88 21.91 22.00 22.27 23.47 23.76 24.06 25.02 25.02 25.33 25.48 25.62 25.72 25.75 25.79 26.00 26.13 26.30 26.47 27.90 27.94 28.05 28.16 28.64 28.92 29.38 29.45
9.349 9.260 9.120 8.881 6.819 6.363 5.461 5.344 5.374 5.308 5.292 5.229 4.675 4.630 4.560 4.440 4.294 4.268 4.061 4.056 4.039 3.992 3.791 3.744 3.699 3.559 3.559 3.516 3.496 3.477 3.464 3.459 3.454 3.428 3.410 3.389 3.368 3.197 3.194 3.181 3.169 3.116 3.087 3.040 3.033
0.6 0.2
586
1 2 0 1 0 2 2 0 0 2 2 1 2 1 1 2 1 3 3 1 0 2 0 3 1 0 1 2 3 2 3 2 2 1 3 0 0 2
Zeolites
16:323-802,
100.0
2 2 4 4
1996
24.7 4.2 4.0 2.5 5.3 4.8 7.7 3.1 2.6 39.7 41.4 2.4 5.8 28.0 12.2 61.9 35.8 60.4 14.5 2.4 12.3 13.2 0.5 1.8 0.1 2.2 6.2 0.2 0.1 2.4 4.0 22.4 11.3 8.7 16.4 25.1 4.7 14.6 9.3 3.7 4.8 24.4
h, k 1 -3 -1 -4 1 0 0 2 0 -3 -3 -3 -2 3 -4 -2 -4 4 -5 -5 2 -4 -2 -4 2 4 -3 -3 3 1 3 0 -1 0 -1 -5 -5 1 -5 -5 -2 -1 2 1 -2
5 2 3 2 3 0 6 4 2 5 5 1 6 1 4 0 0 0 1 1 6 4 2 4 2 2 5 3 Fi 7 31 6 5 4 1 3 1 1 3 1 6 7 6 7 4
12) unique axis b, cell choice 1 b = 18.24 A c = 11.27 w p = 128.0” y = 90”
B27, 833-841
1 1 3 3 1 2 3 1 1 3 2 1 4 1 1 2 4 4 0 3 2 0 3 4 1 2 0 3 4 0 0 2 3 3 4 3 4 3 2 1 3 2 1 1 4
(1971).
20
d
I rel
h
k
1
29.54 29.60 29.78 29.85 29.93 30.19 31.09 31.13 31.78 31.81 31.89 32.15 32.24 32.57 32.80 32.82 32.90 33.34 33.53 33.67 33.88 34.25 34.30 34.46 34.62 34.80 34.87 35.10 35.11 35.45 35.49 35.80 35.83 36.18 36.26 36.39 36.41 36.44 36.52 36.79 38.13 38.28 38.33 38.35 38.44
3.024 3.017 3.000 2.994 2.985 2.960 2.876 2.872 2.816 2.813 2.806 2.784 2.777 2.749 2.731 2.729 2.722 2.687 2.672 2.662 2.646 2.618 2.614 2.602 2.591 2.578 2.573 2.556 2.556 2.532 2.529 2.508 2.506 2.483 2.477 2.469 2.467 2.466 2.461 2.443 2.360 2.351 2.349 2.347 2.342
28.1 10.2 10.4 5.1 14.6 5.5 2.3 0.3 4.4 0.1 6.0 1.2 26.1 2.3 0.3 1.6 19.0 2.2 0.1 0.4 0.2 0.3 0.3 1.8 9.6 3.3 9.9 5.1 8.2 2.4 2.1 4.9 0.5 4.6 0.5 3.1 3.3 2.6 4.2 9.2 3.9 2.1 1.8 2.1 0.7
2 4 -5 1 -6 -4 -4 -3 -3 -3 4 0 -3 3 -6 -4 3 -5 -5 -5 4 0 -6 5 0 -2 3 -2 2 2 -3 -1 1 3 -2 -1 -5 1 -5 2 -5 -6 -2 0 5
4 4 3 3 0 6 0 7 7 5 0 0 1 5 2 6 1 5 5 1 2 2 2 1 6 0 7 8 0 8 3 7 7 3 2 5 5 5 3 2 5 4 6 8 3
2 0 4 3 3 2 5 2 1 4 1 4 5 1 3 1 2 3 2 5 1 4 4 0 3 5 0 2 3 0 5 3 2 2 5 4 4 3 5 3 1 3 4 2 0
4 4
4 4
4
4 4 4 4
4
20 38.73 38.90 39.09 39.11 39.65 39.72 40.07 40.18 40.25 40.45 40.62 40.63 40.79 40.80 40.91 41.15 41.27 41.60 41.71 41.77 41.87 41.88 42.08 42.33 42.63 42.66 42.92 43.01 43.01 43.10 43.24 43.53 43.64 43.70 43.85 43.90 44.03 44.05 44.18 44.20 44.35 44.54 44.62 44.68 44.71
d 2.325 2.315 2.304 2.303 2.273 2.269 2.250 2.245 2.241 2.230 2.221 2.220 2.212 2.212 2.206 2.194 2.187 2.171 2.165 2.162 2.158 2.157 2.147 2.135 2.121 2.120 2.107 2.103 2.103 2.099 2.092 2.079 2.074 2.071 2.065 2.062 2.057 2.056 2.050 2.049 2.042 2.034 2.031 2.028 2.027
AJ IId 4 4 4 4 2 4 2 4 4 4 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4
0.5 3.6 0.8 2.3 3.8 0.2 1.4 0.1 1.4 2.4 1.0 2.0 1.7 1.3 1.6 0.1 1.1 0.5 1.4 0.4 0.2 2.7 0.1 0.2 5.7 1.7 0.2 4.1 0.3 0.6 0.6 1.4 0.5 0.2 4.3 2.0 1.0 2.9 6.3 1.1 2.0 2.2 1.5 1.9 7.7
STI
Stilbite
Zeolites
16:323-802.
1996
587
STI
Stellerite
COMPOSITION:
(~~7.56~go.oss~o.o2~~.~~~o.28)(~i56.04~~l5.86~~o.l2~l44)~56.~~2~
Villanova-Monteleone, CRYSTAL
DATA:
1 0 0 2 0 2 2 1 1 2 0 0 3 1 0 0 2 2 3 3 2 2 1 4 1 0 4 4 3 0 1 1 4 0 2
588
1 2 0 0 2 2 0 3 1 2 4 0 1 3 4 2 4 0 3 1 4 2 5 0 1 4 2 0 3 6 5 3 2 0 4
1 0 2 0 2 0 2 1 3 2 0 4 1 3 2 4 0 4 1 3 2 4 1 0 5 4 0 2 3 0 3 5 2 6 4
E. Galli and A. Alberti, Bull. Sot. Fr. Minhral.
26
d
M
I rel
9.51 9.71 9.90 13.02 13.88 16.27 16.38 16.74 16.97 19.08 19.49 19.88 20.80 21.90 21.90 22.17 23.51 23.84 25.01 25.17 25.56 25.79 25.79 26.21 26.25 27.98 28.01 28.08 28.79 29.41 29.48 29.75 29.78 30.01 30.97
9.304 9.111 8.931 6.800 6.378 5.449 5.410 5.297 5.225 4.652 4.555 4.466 4.271 4.058 4.058 4.010 3.785 3.733 3.560 3.538 3.485 3.454 3.454 3.400 3.395 3.189 3.185 3.177 3.101 3.037 3.030 3.003 3.000 2.977 2.887
8 2 2 2 4 4 4 8 8 8 2 2 8 8 4 4 4 4 8 8 8 8 8 2 8 4 4 4 8 2 8 8 8 2 8
2.7 100.0 36.2 0.2 1.5 6.3 14.7 7.1 3.4 80.2 2.8 3.2 35.5 90.3 31.4 12.7 1.5 21.8 0.6 0.6 7.6 1.5 0.2 16.0 15.0 3.0 21.9 24.1 11.1 5.2 45.7 22.7 11.7 3.4 0.1
Zeolites
16:323-802,
1996
Italy.
Fmmm (No. 69) a = 13.599 8, b = 18.222 A Q = 90” p = 90”
REFERENCE:
hkl
Sardinia,
hkl 0 0 3 3 2 4 5 2 2 4 4 3 3 1 0 1 0 1 5 5 2 1 2 4 1 6 4 4 3 0 3 3 6 4 0
6 2 5 1 6 0 1 6 2 4 2 5 3 7 6 5 4 1 3 1 6 7 4 4 3 0 6 0 7 0 5 1 2 6 2
2 6 1 5 0 4 1 2 6 2 4 3 5 1 4 5 6 7 1 3 4 3 6 4 7 0 0 6 1 8 5 7 0 2 8
c = 17.863 H, y = 90”
Crystallogr.
98, 11-18 (1975)
28
d
M
I rel
hkl
31.10 31.62 31.90 32.28 32.28 33.12 33.69 33.85 34.32 34.41 34.59 35.00 35.23 35.47 35.75 35.81 36.04 36.15 36.55 36.66 38.20 38.31 38.47 38.71 38.85 39.77 39.80 40.26 40.27 40.39 40.58 40.88 41.04 41.11 41.64
2.875 2.830 2.805 2.773 2.773 2.705 2.660 2.648 2.613 2.606 2.593 2.564 2.547 2.531 2.511 2.507 2.492 2.485 2.459 2.451 2.356 2.349 2.340 2.326 2.318 2.266 2.265 2.240 2.240 2.233 2.223 2.207 2.200 2.195 2.169
4 4 8 8 4 4 8 8 8 8 8 8 8 8 4 8 4 8 8 8 8 8 8 8 8 2 4 4 8 2 8 8 4 8 4
3.0 2.5 1.6 3.8 18.2 13.5 0.6 0.1 6.6 3.2 2.3 13.8 4.5 1.3 3.0 0.4 4.2 2.7 0.1 6.1 3.5 3.1 0.5 1.3 2.3 3.7 0.1 2.1 0.6 2.0 2.4 2.8 1.8 0.3 1.6
5 0 2 2 3 1 2 1 5 5 6 2 0 6 4 4 0 6 6 1 2 3 1 4 5 1 4 5 5 4 6 7 3 7 4
1 5 6 6 0 8 8 2 3 7 7 5 2 8 5 7 5 3 3 5 4 0 6 6 8 4 0 4 6 4 4 6 4 8 4 2 2 4 1 9 8 4 5 7 9 3 8 0 7 1 3 9 0 8 5 5 1 7 8 2 4 4 3 1 9 1 1 3 2 8
20
d
M
I rel
42.04 42.52 42.62 43.09 43.33 43.53 43.82 43.82 44.25 44.44 44.65 44.66 44.66 44.84 44.87 45.11 45.22 45.86 46.00 46.51 46.72 47.92 47.93 48.08 48.69 48.73 48.79 48.95 49.22 49.22 49.33 49.52 49.57 49.61 49.88
2.149 2.126 2.121 2.099 2.088 2.079 2.066 2.066 2.047 2.038 2.029 2.029 2.029 2.021 2.020 2.010 2.005 1.979 1.973 1.953 1.944 1.898 1.898 1.892 1.870 1.869 1.866 1.861 1.851 1.851 1.847 1.841 1.839 1.837 1.828
8 4 4 8 8 8 8 8 8 8 4 8 3 4 8 8 4 8 8 8 8 8 8 4 8 8 4 8 8 8 8 8 8 8 8
1.3 3.0 0.8 2.3 0.8 1.1 3.3 5.6 1.8 11.4 0.7 0.7 2.0 0.7 0.3 1.1 0.4 1.1 1.4 0.8 0.1 0.7 1.7 3.1 1.7 0.1 0.2 2.8 2.5 0.8 0.2 0.5 0.4 0.3 0.4
STI
Stellerite
Zeoiites
16:323-602,
1996
589
STI
Barrerite
COMPOSITION:
(Na~~.~K~,~Mg~.~Ca~.~)(Si~~.~Al~~.~0~~~)~51.6H~O Capo Pula, Sardinia, Italy.
CRYSTAL
Amma
DATA:
(No. 63) cab setting
a = 13.643
A
REFERENCE:
hkl 0 1 0
1 1 2
1 1
0 0 0 2 10 2 2 0 0 0 2 2
2 1 0 0 2 2 1 1 2
0 0
1 2 3 1 2
1 2 1 3
0
2 1 3 2
3 1 2 4
0
2 3 0 1 1 0 3
3 1 3 0 3 4
0
2 4 2 4
1 1 2 2 3 2 3 0 2 2 4 1 4 4 4
0
0
0 4 1 1 3 4 3 2 2 4 2 4
0 0 4
2 3 3 1 4 2
2 3 1 5 2 4
0 0 1 1 2
5 1
0
2 4 4 1 5
0
4
3 2 2
0
590
d
28
5 1
0
6.94 9.50 9.72 9.91 11.85 12.98 13.90 14.73 15.35 15.43 15.68 16.24 16.36 16.75 16.98 19.06 19.51 19.90 20.21 20.74 20.92 20.95 21.92 21.93 21.94 22.19 22.89 23.14 23.50 23.83 24.04 24.69 24.97 25.44 25.56 25.79 26.13 26.27 27.06 27.94 28.01 28.01 28.02 28.23 28.65
Zeolites
12.741 9.312 9.100 8.921 7.467 6.822 6.370 6.014 5.772 5.744 5.653 5.458 5.419 5.294 5.223 4.656 4.550 4.461 4.394 4.283 4.247 4.240 4.055 4.053 4.052 4.005 3.885 3.843 3.785 3.733 3.701 3.605 3.565 3.502 3.484 3.454 3.411 3.392 3.295 3.194 3.186 3.185 3.184 3.161 3.115
16:323-802,1996
c = 17.842 ii y = 90”
b = 18.200-A
cl = 90”
p = 90”
E. Galli and A. Alberti, Bull. Sot. Fr. MinBral. Crystallogr..
Ad
I rel
h
k
1
20
d
4 8 2 2 4 2 4 8 8 4 4 4 4 8 8 8 2 2 8 8 4 4 8 4 4 4 8 8 4 4 8 8 8 4 8 8 2 8 8 4 4 4 4 8 8
3.1 5.0
3 0 1 3 4 3 1 0 4 2 0 0 1 3 2 3 2 4 2 4 5 2 2 4 4 0 3 3 1 0 0 5 1 0 1 4 5 5 1 4 2 2 1 2 4
3 6 5 4 2 2 3 0 1 4 6 2 6 5 3 1 6 4 0 0 1 6 2 4 2 7 5 3 7 1 6 2 5 4 1 51 3 1 4 1 5 6 7 4 4
3 0 3 2 2 4 5 6 3 4 2 6 2 1 5 5 0 0 6 4 1 2 6 2 4 1 3 5 1 7 4 2 5 6 7
28.76 29.45 29.51 29.52 29.71 29.72 29.78 30.05 30.61 30.98 31.14 31.65 31.84 31.89 31.92 32.26 32.30 32.82 32.86 33.06 33.59 33.87 34.34 34.36 34.54 34.87 34.99 35.23 35.51 35.56 35.80 35.80 35.85 36.08 36.19 36.45 36.45 36.57 36.70 36.78 37.68 38.23 38.35 38.50 38.68
3.104 3.033 3.027 3.026 3.007 3.006 3.001 2.974 2.920 2.886 2.872 2.827 2.810 2.806 2.804 2.775 2.772 2.729 2.726 2.709 2.668 2.647 2.611 2.610 2.597 2.573 2.564 2.548 2.528 2.524 2.508 2.508 2.505 2.489 2.482 2.465 2.465 2.457 2.449 2.443 2.387 2.354 2.347 2.338 2.328
100.0 48.5 0.5 5.6 0.1 0.4 0.1 1.0 0.1 0.4 2.2 4.7 9.6 41.0 1.1 2.6 0.2 26.5 0.6 0.2 69.6 17.0 0.2 8.7 0.4 0.3 0.2 28.1 0.1 0.5 1.8 0.4 16.5 0.3 18.5 13.2 0.2 18.9 19.7 3.9 0.2 1.6 0.2
1 3 6 5 5 4 3 6 4
8 2 8 8 8 8 8 2 8 8
4 4 8 8 8 8 8 4 8 8 8 4 8 8 4 8 8 8 8 8 8 8 8 8 8 8
98, 331-340 (1975).
IRl
h
k
15.1 3.1 56.1 0.8 16.5 0.4 25.0 4.2 0.2 0.5 0.8 2.8 0.8 2.7 0.1 1.7 15.7 0.2 0.1 10.7 1.5 0.8 7.3 1.0 3.5 0.6 11.0 2.8 0.6 0.2 4.1 0.1 0.1 3.7 0.4 0.3 0.6 5.3 0.3 0.4 0.2 2.2 1.5 0.3 0.6
5 1 4 6 4 4 3 0 3 3 6 0 3 4 5 0 5 6 0 2 6 3 0 2 3 1 5 2 1 4 5 5 6 2 0 6 4 4 0 0 3 6 1 6 0
0 3 3 0 6 0 7 0 5 1 2 8 4 2 5 2 1 2 6 0 3 7 7 8 3 7 4 2 5 7 5 3 4 6 8 0 6 4 9 4 8 4 4 2 1
1 4 7 5 0 0 6 1 8 5 7 0 2 6 6 1 8 5 2 6 8 1 3 5 2 7 5 4 8 7 1 3 5 0 6 4 4 4 6 1 8 2 2 8 4 9
28
d
M
IreI
38.68 38.89 39.45 39.64 39.77 40.23 40.27 40.44 40.58 40.89 40.91 40.94 41.35 41.49 41.68 41.70 41.98 42.20 42.57 42.65 42.77 42.85 43.04 43.12 43.34 43.58 43.68 43.85 43.87 44.09 44.19 44.38 44.54 44.69 44.72 44.73 44.85 45.09 45.12 45.28 45.74 45.75 45.79 45.89 46.05
2.328 2.316 2.284 2.274 2.267 2.241 2.239 2.230 2.223 2.207 2.206 2.204 2.183 2.176 2.167 2.166 2.152 2.141 2.123 2.120 2.114 2.110 2.101 2.098 2.088 2.077 2.072 2.065 2.064 2.054 2.049 2.041 2.034 2.027 2.027 2.026 2.021 2.011 2.009 2.003 1.984 1.983 1.981 1.977 1.971
4 8 8 2 4 4 8 2 8 8 4 4 8 8 8 4 8 8 4 4 8 8 4 8 8 8 8 8 8 8 8 8 4 8 4 4 8 8 4 4 8 8 8 8 4
0.4 0.2 0.1 2.7 0.5 1.5 0.3 2.2 1.5 1.4 0.9 0.3 0.6 0.2 0.3 1.1 2.1 0.2 3.6 0.4 0.1 0.1 0.2 1.3 1.6 0.7 0.2 2.0 2.3 0.3 0.8 7.8 1.6 0.7 1.2 0.2 0.7 1.4 0.3 0.2 0.3 0.7 0.3 0.3 0.1
STI
Barrerite
l”“““‘l”~“““l”1”““l”“““‘l”“““‘l””””’I””””’l””””‘l’~~~““‘l’~””’~’
8
0 v)
0 r
::
Zeolites
0
16:323-802,
1996
591
THO
Thomsonite
COMPOSITION:
(Na4Ca7.5Sro.5)(SizoA12o080).24H20 Death Valley, California, U.S.A.
CRYSTAL
Pncn (No. 52) bca setting a = 13.088 A b = 13.052 A Q: = 90” p = 90”
DATA:
REFERENCE:
hkl 110 0 0 2 0 0 2 1 0 1 1 2 0 2 2 2 1 1 2 2 2 0 1 3 1 0 3 1 3 1 1 3 1 1 3 2 2 3 0 3 1 1 3 3 2 2 3 0 0 4 0 0 4 1 0 3 2 2 3 1 1 3 3 2 0 0 2 4 0 4 2 2 4 1 2 4 1 1 4 3 3
592
28 9.57 2 13.39 0 13.53 0 13.57 2 15.01 2 16.48 2 19.08 0 19.21 2 20.26 2 20.28 1 20.36 3 21.27 0 21.48 1 21.50 0 21.52 3 22.34 1 22.51 1 22.56 2 23.48 2 24.44 2 25.39 2 25.43 1 25.46 1 25.49 4 26.96 0 27.25 0 27.33 4 27.82 2 28.06 2 28.08 4 28.67 0 28.98 4 30.28 4 30.30 2 30.48 0 30.56 0 30.61 4 31.08 2 31.26 2 31.32 2 32.05
Zeolites
J. J. Pluth, J. V. Smith and A. Kvick, Zeolites 5, 74-80 (1985).
d
M
Ire1
hkl
9.242 6.615 6.544 6.526 5.903 5.379 4.652 4.621 4.382 4.378 4.363 4.178 4.138 4.133 4.129 3.980 3.949 3.941 3.788 3.642 3.508 3.502 3.498 3.494 3.307 3.272 3.263 3.206 3.180 3.178 3.114 3.081 2.952 2.950 2.933 2.925 2.920 2.878 2.861 2.856 2.793
4 2 2 2 4 8 4 4 8 8 8 4 4 4 4 8 8 8 8 4 8 8 8 8 2 2 2 4 8 8 8 4 4 4 4 4 4 8 8 8 8
3.0 76.6 4.3 1.1 45.0 52.2 69.8 97.9 11.1 28.8 0.8 0.2 2.1 0.6 39.5 0.9 1.8 0.8 0.4 0.1 54.4 74.3 0.1 0.7 0.8 3.7 1.3 32.9 2.5 34.9 4.3 8.5 39.9 21.2 6.0 4.5 22.3 1.5 36.8 54.1 3.2
2 4 2 3 1 4 5 4 1 3 5 1 3 2 4 3 5 1 4 0 4 4 1 5 2 3 3 5 3 5 0 4 2 6 4 0 1 1 2 5 3
16:323-602.
c = 13.229 A y = 90”
1996
2 2 4 1 3 1 1 3 5 3 1 5 2 3 3 4 1 5 0 4 4 1 4 2 5 3 4 3 5 1 0 2 4 0 4 6 0 1 5 3 5
4 2 2 4 4 3 0 1 0 3 1 1 4 4 2 2 2 2 4 4 0 4 4 2 2 4 3 0 0 3 6 4 4 0 2 0 6 6 3 2 2
28
d
M
I rel
hkl
33.31 33.50 33.55 34.72 34.75 34.83 34.96 34.98 35.05 35.55 35.63 35.72 36.78 36.79 36.96 36.99 37.59 37.68 38.71 38.77 38.98 39.35 39.40 39.52 39.59 40.00 40.11 40.21 40.26 40.67 40.93 41.20 41.24 41.39 41.39 41.51 41.53 42.13 42.55 42.56 42.61
2.689 2.675 2.671 2.583 2.581 2.576 2.567 2.565 2.560 2.525 2.519 2.513 2.444 2.443 2.432 2.430 2.393 2.387 2.326 2.323 2.310 2.290 2.287 2.280 2.276 2.254 2.248 2.243 2.240 2.218 2.205 2.191 2.189 2.181 2.181 2.175 2.174 2.145 2.125 2.124 2.122
8 8 8 8 8 8 4 8 4 8 8 8 8 8 8 8 8 8 4 4 4 8 8 8 8 8 8 4 4 8 2 8 8 2 8 2 4 8 8 8 8
0.6 100.0 13.2 20.2 33.0 0.1 6.9 0.1 0.8 0.1 0.1 0.1 1.0 0.5 0.2 16.4 1.2 3.4 3.7 0.2 0.3 3.6 0.4 3.2 0.7 38.5 0.2 0.7 6.7 0.1 3.5 23.8 5.4 7.6 0.8 21.9 1.5 0.3 0.2 6.8 9.6
2 0 6 6 0 2 1 5 4 3 6 1 5 1 5 2 6 2 3 5 2 5 4 3 1 3 4 3 2 6 3 5 3 7 5 0 1 5 1 0
28 0 2 0 2 6 6 2 0 3 4 1 6 1 5 3 2 2 6 0 2 5 4 5 1 3 6 4 2 3 3 6 3 5 1 5 7 7 1 5 4
6 43.30 6 43.31 2 43.69 0 43.76 2 43.81 0 43.86 6 43.89 4 44.12 4 44.15 4 44.17 2 44.27 2 44.38 4 44.69 4 44.77 3 45.36 6 45.59 2 45.96 2 46.06 6 46.13 4 46.37 4 46.44 2 46.55 2 46.58 6 46.68 6 46.70 1 47.19 4 48.03 6 48.31 6 48.32 2 48.68 2 48.76 4 49.07 4 49.12 0 49.23 0 49.30 1 49.36 0 49.37 5 49.48 5 49.55 6 49.92
d
M
I El
2.089 2.089 2.072 2.069 2.067 2.064 2.063 2.053 2.051 2.050 2.046 2.041 2.028 2.024 1.999 1.990 1.975 1.971 1.968 1.958 1.955 1.951 1.950 1.946 1.945 1.926 1.894 1.884 1.883 1.870 1.867 1.856 1.855 1.851 1.848 1.846 1.846 1.842 1.840 1.827
4 4 4 4 4 4 8 4 8 8 8 8 8 8 8 8 8 8 4 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 4 4 8 8 4
11.0 1.4 1.4 2.2 2.6 8.8 3.6 0.2 0.3 0.3 0.8 0.3 2.3 4.2 0.1 7.1 6.4 1.3 1.5 5.6 2.2 2.2 2.3 4.6 6.2 0.1 1.7 6.4 2.6 2.5 0.2 1.7 1.2 0.5 1.2 0.2 0.4 0.1 0.1 14.1
Thomsonite
Zeolites
16:323-802,
1996
593
TON
Diethylamine
theta-l
(Silica
ZSM-22)
COMPOSITION: CRYSTAL
DATA:
Cmc21 (No. 36) a = 13.859 A b = 17.420 A a = 90” p = 90”
REFERENCE:
h 1 0 2 2 1 1 3 0
k
1
1 2 0 2 3 1
8.15 0 0 10.16 0 12.77 0 16.35 0 16.55 1 19.43 0 19.88 1 20.36 0 20.39 1 24.11 0 24.14 1 24.25 0 24.62 0 25.71 0 26.38 1 26.68 1 27.06 0 27.71 1 30.03 1 30.43 0 30.80 1 31.89 0 32.18
1
2
0
4
2 2 1 3 4 1 3 0 4 2 3 0 1 3
2 4 3 3 0 5 1 4 2 4 3 6 5 5
594
Zeolites
28
B. Marler, Zeolites 7, 393-397 (1987).
d
M
I rel
hkl
10.845 8.710 6.929 5.423 5.356 4.569 4.465 4.361 4.355 3.691 3.687 3.670 3.615 3.465 3.379 3.342 3.295 3.219 2.975 2.937 2.903 2.806 2.782
4 2 2 4 4 8 4 4 2 8 4 8 4 2 4 8 4 4 8 8 2 8 4
100.0 19.1 22.3 7.3 4.6 9.0 0.3 69.6 15.6 8.7 11.5 49.5 50.0 33.5 2.6 6.1 6.6 1.4 2.7 3.2 2.6 0.9 1.5
5 4 4 2 0 0 5 1 3 0 5 4 2 2 2 1 5 6 4 1 3 3 5
16:323-802,
c = 5.038 8, y = 90”
1996
1 2 4 6 0 6 3 1 5 2 1 4 0 6 2 3 3 2 6 7 1 7 5
0 1 0 0 2 1 0 2 1 2 1 1 2 1 2 2 1 0 0 1 2 0 0
28
d
M
I rel
h k
1
20
d
M
Ire,
32.71 33.02 33.04 33.46 35.64 35.69 35.90 36.62 36.91 37.15 37.39 37.67 38.01 38.06 39.44 39.53 40.25 40.40 40.54 40.97 41.14 41.20 41.64
2.737 2.713 2.711 2.678 2.519 2.516 2.501 2.454 2.435 2.420 2.405 2.388 2.367 2.364 2.285 2.279 2.241 2.233 2.225 2.203 2.194 2.191 2.169
4 8 4 4 2 4 4 8 8 4 8 8 4 8 8 8 8 4 4 8 8 4 4
2.7 2.7 0.7 0.3 13.8 3.5 0.2 2.1 9.6 0.4 2.9 1.9 0.7 7.2 0.4 0.3 1.5 0.5 0.2 0.1 0.2 0.4 0.4
2 3 6 6 4 4 1 3 0 5 4 7 2 1 0 7 3 5 5 4 4 2 7
2 2 1 0 2 1 2 1 1 1 2 0 1 0 2 0 2 2 0 2 0 2 1
43.51 43.80 44.38 44.39 44.47 44.51 44.88 45.13 45.37 45.53 45.73 46.14 47.33 47.43 47.80 48.58 48.77 49.15 49.20 49.38 49.43 49.69 49.76
2.080 2.067 2.041 2.041 2.037 2.036 2.019 2.009 1.999 1.992 1.984 1.967 1.920 1.917 1.903 1.874 1.867 1.854 1.852 1.846 1.844 1.835 1.832
8 8 8 4 4 8 8 8 4 8 8 4 8 4 4 4 8 8 4 8 4 8 8
0.2 3.9 0.5 0.5 0.5 2.2 2.1 1.1 3.1 0.4 0.4 0.1 0.7 0.3 3.7 8.6 0.8 0.3 0.3 0.8 1.4 0.2 1.8
4 3 2 4 0 6 5 7 8 5 2 1 8 9 6 3 5 1 7 4 8 6 1
Diethylamine
theta-l
(Silica
TON
ZSM-22)
Zeolites
16:323-602,
1996
595
VET
VPI-8
COMPOSITION:
Si17034
CRYSTAL
Pq INo. 811 a =‘13.045 ‘A cx = 90”
DATA:
REFERENCE:
hkl 10 1 2 1 2 0 1 2 1 3 3 2 1 2 2 3 2 3 1 3 1 4 3 2
596
1 0 2 1 0 0 2 1 0 1 0 2 1 3 2 2 0 3 1 4 1 3 3
0 0 0 0 0 1 1 0 1 0 0 1 1 1 0 0 1 1 1 1 0 0 0 1
Zeolites
c = 5.034 A y = 90”
C. C. Freyhardt, J. E. Lewis, Jr., M. M. Helmkamp, S. Khodabandeh, M. Yoshikawa, M. A. Camblor, R. F. Lobo, M. Tsapatsis, M. Pan, S. I. Zones and M. E. Davis, Personal Communication (1996).
20
d
A4
6.78 9.59 13.58 15.19 15.19 17.62 18.90 19.24 20.09 20.42 21.54 22.31 23.34 23.34 24.60 24.60 26.20 27.10 27.96 27.96 28.20 28.20 29.04 30.42
13.045 9.224 6.523 5.834 5.834 5.034 4.696 4.612 4.419 4.348 4.125 3.985 3.811 3.811 3.618 3.618 3.401 3.291 3.191 3.191 3.164 3.164 3.075 2.938
4 4 4 4 4 2 8 4 8 4 4 8 8 8 4 4 8 8 8 8 4 4 4 8
16:323-802,
b = 13.045 A p = 90”
1996
Ild 100.0 21.2 1.3 1.7 0.2 0.1 1.7 0.2 20.7 3.4 18.6 13.8 3.8 8.2 10.8 3.4 9.4 0.9 1.9 0.4 3.9 7.5 1.0 0.8
hkl 3 4 4 1 4 3 4 1 2 4 0 1 1 2 2 3 4 5 1 5 5 2 5 6
2 2 0 4 1 3 3 5 4 2 0 0 1 5 0 4 3 0 5 1 3 2 2 0
1 0 1 1 1 1 0 0 1 1 2 2 2 0 2 1 1 1 1 1 0 2 1 0
20
d
Iv
IreI
h k
1
20
d
M
IreI
30.42 30.65 32.72 33.45 33.45 34.17 34.37 35.07 35.57 35.57 35.67 36.35 37.02 37.11 38.33 38.88 38.88 38.88 39.51 39.51 40.31 40.84 41.36 41.53
2.938 2.917 2.737 2.679 2.679 2.624 2.609 2.558 2.524 2.524 2.517 2.471 2.428 2.422 2.348 2.316 2.316 2.316 2.281 2.281 2.237 2.209 2.183 2.174
8 4 8 8 8 8 4 4 8 8 2 8 8 4 8 8 8 8 8 8 4 8 8 4
0.2 0.6 3.5 0.4 0.7 0.6 0.4 0.2 0.9 1.4 3.9 0.3 0.8 0.6 0.4 0.6 1.7 0.2 1.2 0.5 0.9 0.2 0.4 0.1
1 1 6 2 3 2 3 5 5 6 4 1 6 1 4 3 6 2 6 2 4 5 7 1
2 0 0 2 2 0 1 1 0 1 2 1 1 2 2 2 0 1 1 2 1 1 0 0
42.05 42.13 42.13 43.81 43.81 43.89 44.31 44.31 44.47 45.44 45.52 46.00 46.00 46.08 46.08 46.63 46.71 47.65 47.65 47.72 48.18 48.18 48.87 49.40
2.149 2.145 2.145 2.066 2.066 2.063 2.044 2.044 2.037 1.996 1.993 1.973 1.973 1.970 1.970 1.948 1.945 1.909 1.909 1.906 1.888 1.888 1.864 1.845
8 4 4 8 8 4 8 8 4 8 8 8 8 8 8 8 4 8 8 8 8 8 4 4
0.5 0.3 0.2 0.4 0.4 0.6 0.4 0.2 0.5 0.2 0.1 0.2 0.8 0.2 0.3 1.3 0.4 0.4 1.2 1.2 0.5 0.2 0.2 1.2
3 6 1 3 2 6 5 3 4 0 0 6 1 4 1 3 3 6 2 4 5 4 0 7
VET
VPI-8
Zeolites
16:323-602,
1996
597
VFI
VPI-5
COMPOSITION:
(A118P18072).42Hx0
CRYSTAL
Pf& (No. 173) a = 18.9752 A ck = 90”
DATA:
REFERENCE:
h k 1 1 0 0 1 1 0 2 1 2 1 2 3 1 2 2 3 4 2 0 1 3 1 2 3 112 4 2 1 2 3 2 5 1 4 3 3 2 5 13 3 1 5 3
598
0 2 1 1 0 0 2 1 2 0 0 2 0 3 1 0 3 2
0 0 0 1 1 0 1 1 0 1 0 1 2 1 1 2 0 0
0 0 4 3 2 1 0 4 1 0 3 2 0
1 2 0 1 1 2 0 1 1 2 0 2 1 2 2 0 0 1
1 5 1 3
26' 5.38 9.32 10.77 14.26 14.26 14.37 15.36 16.18 17.99 17.99 18.70 19.56 21.63 21.71 21.93 22.38 22.38 22.60 23.60 23.60 23.88 24.29 24.49 24.83 26.07 26.07 26.26 27.13 27.19 27.19 27.38 28.22 28.98 29.32 29.50 29.50 30.28 30.28 30.34
Zeolites
d 16.433 9.488 8.216 6.211 6.211 6.162 5.770 5.478 4.930 4.930 4.744 4.538 4.108 4.094 4.052 3.973 3.973 3.934 3.770 3.770 3.726 3.664 3.634 3.586 3.418 3.418 3.394 3.287 3.279 3.279 3.258 3.162 3.081 3.046 3.028 3.028 2.952 2.952 2.946
16:323-802,
b = 18.9752 A /cl = 90”
L. B. McCusker, Ch. Baerlocher, Zeolites 11, 308-313 (1991).
M
I rel
6 6 6 6 6 12 12 6 12 12 6 12 6 12 2 12 12 12 6 6 12 12 12 6 12 12 12 6 12 12 12 6 12 12 12 12 6 6 12
100.0 0.7 11.9 0.4 0.5 4.2 0.2 1.1 0.4 0.3 5.2 0.6 1.2 7.4 8.7 1.5 3.1 10.4 2.0 4.5 0.2 0.2 1.5 2.2 0.4 0.5 0.2 0.2 6.6 3.7 1.1 2.4 4.9 0.3 1.0 1.0 2.8 1.9 0.7
1996
h
k
1
20
2 4 4 1 5 2 3 6 1 4 1 5 113 2 3 5 1 6 2 5 3 1 4 3 1 5 2 1 3 6 4 6 4 3 7 4 2 5 2
4 2 0 5 1 3 2 0 4 1 0 2
1 1 2 1 1 2 2 0 2 2 3 0
0 4 0 6 10 5 2 3 2 2 0 5 1 2 3 1 2 4 0 0 5 0 3 5 2 3
3 1 2 0
30.83 30.83 31.00 32.28 32.28 32.44 32.41 32.70 33.36 33.36 33.62 34.07 34.52 34.96 35.01 35.16 35.83 35.83 35.88 35.88 36.02 36.26 36.45 37.11 37.70 37.70 38.34 38.75 38.75 39.54 39.59 39.72 39.94 39.98 39.98 40.11 40.89 40.89 41.10
1 1 2 3 2 3 2 2 3 3 3 0 1 2 3 1 1 2 2 2 3
d 2.900 2.900 2.885 2.773 2.773 2.760 2.760 2.739 2.685 2.685 2.666 2.631 2.598 2.566 2.563 2.553 2.506 2.506 2.503 2.503 2.493 2.477 2.465 2.423 2.386 2.386 2.348 2.324 2.324 2.279 2.276 2.269 2.257 2.255 2.255 2.248 2.207 2.207 2.196
c = 8.1044 A y = 120° E. Jahn and M. Billow.
Ad
IreI
h
k
1
20
d
Af
IreI
12 12 12 12 12 12 12 6 12 12 12 6 12 12 12 12 6 6 12 12 12 12 12 12 12 12 12 12 12 6 12 12 12 12 12 12 12 12 12
0.3 1.3 1.5 0.3 0.3 0.5 0.7 4.6 0.3 0.2 0.1 1.3 0.2 0.1 0.1 0.2 0.2 0.1 0.7 0.2 0.6 0.1 0.2 0.1 0.2 0.3 1.8 0.4 0.2 0.5 0.1 0.3 0.1 0.1 0.1 0.2 0.2 0.2 0.1
3 2 6 1 4 7 3 3 2 4 4 5 7 0 1 3 5 2 2 2 7 2 1 7 4 3 2 1 8 2 13 3 3 5 4 6 8
2 6 2 4 1 1 3 4 4 2 5 4 0 0 0 6 1 6 0 7 2 1 7 1 3 0 5 8 1 2
3 1 1 3 3 1 3 2 3 3 1 1 2 4 4 1 3 2 4 1 1 4 2 2 3 ‘I 3 1 1 4 4 4 0 1 1 1 2
41.10 41.15 41.15 41.87 41.87 43.03 44.09 44.25 44.45 44.45 44.49 44.49 44.61 44.73 45.08 45.20 45.52 45.67 46.14 46.61 46.61 47.18 47.41 47.41 47.60 47.87 48.28 48.65 48.65 48.88 49.21 49.21 49.29 49.32 49.65 49.65 49.76
2.196 2.194 2.194 2.158 2.158 2.102 2.054 2.047 2.038 2.038 2.036 2.036 2.031 2.026 2.011 2.006 1.993 1.986 1.967 1.949 1.949 1.926 1.918 1.918 1.910 1.900 1.885 1.871 1.871 1.863 1.851 1.851 1.849 1.848 1.836 1.836 1.832
12 12 12 12 12 12 12 12 12 12 12 12 12 2 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 6 12 12 12 12
0.3 0.3 0.2 0.2 0.2 0.1 0.2 0.2 0.2 0.2 0.1 0.1 0.4 0.7 0.4 0.1 0.1 0.1 0.1 0.3 0.3 0.2 0.4 0.3 0.1 0.1 0.1 0.4 0.6 0.5 0.4 0.3 0.2 0.4 0.8 0.6 0.2
1 7 5 6 4 0
VFI
VPI-5
Zeolites
16:323-602,
1996
599
VNI
VPI-9
COMPOSITION:
(Rb44K4)(Si96Zn240254)
CRYSTAL
P41212 (No. 92) b = 9.8837 A a = 9.8837 A p = 90” CY= 90”
DATA:
REFERENCE:
h 00 10 10 00 10 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 2 2 1 2 2 1 2 2 1 1 0 2 2 2 2 1 1 2 2 2 2 2
k
1
20
0 0 0 0 1 1 1 0 1 1 0 0 1 1 1 1 0 1 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 1 0 1 0 1 1 1
4 1 2 8 3 4 5 6 7 0 1 2 8 4 5 9 12 6 7 8 9 12 10 0 1 13 2 3 11 4 5 14 12 16 6 7 0 1 13 15 2 8 3 4 5
4.80 9.03 9.26 9.61 9.65 10.16 10.78 11.49 12.29 12.67 12.72 12.89 13.14 13.55 14.03 14.05 14.43 14.58 15.22 15.92 16.68 17.00 17.49 17.95 17.99 18.05 18.11 18.31 18.35 18.59 18.94 19.11 19.25 19.28 19.36 19.85 20.09 20.12 20.18 20.19 20.23 20.40 20.41 20.67 20.98
600
Zeolites
d 18.413 9.796 9.546 9.206 9.169 8.708 8.207 7.698 7.204 6.989 6.958 6.866 6.737 6.534 6.314 6.303 6.137 6.073 5.822 5.567 5.315 5.214 5.070 4.942 4.931 4.915 4.898 4.845 4.835 4.773 4.685 4.644 4.612 4.603 4.584 4.473 4.420 4.412 4.401 4.397 4.389 4.354 4.350 4.298 4.234
16:323-802,
L. B. McCusker, private communication
M
Ire1
hk
2 8 8 2 8 8 8 8 8 4 8 8 8 8 8 8 2 8 8 8 8 8 8 4 8 8 8 8 8 8 8 8 8 2 8 8 8 16 8 8 16 8 16 16 16
21.4 1.5 2.6 6.7 3.3 34.7 4.9 0.1 4.9 14.2 0.3 25.1 13.9 0.4 1.1 0.1 22.2 20.3 0.9 7.7 1.2 0.9 23.5 5.6 0.8 1.4 0.4 2.2 0.4 29.3 0.2 1.3 9.4 1.2 0.1 1.6 0.7 4.7 1.3 2.4 5.1 42.1 2.8 26.6 7.0
20 1 1 21 217 1 2 2 1 219 2 1 1 2 2 0 1 1 2 1 22 22 2 2 22 22 1 22 22 1 2 2 22 22 1 30 2 30 22 30 1 2 30 30 22
1996
1 1 0
9 14 16 6
1 1 0 0
15 8 11 17
0 1 0 0 1 0 1 0 1 1
12 16 18 13 11 20 17 19 12 18 0 1 13 15 2 3 20 4 5 19 14 16 6 7 21 1 15 2 8 3 20 17 4 5 9
1 0
0
1 1 0
0 1
1 0
c = 73.6505 fi y = 90”
(1995).
28
d
21.00 21.14 21.29 21.37 21.81 22.12 22.31 22.36 22.41 22.87 23.11 23.14 23.53 23.89 24.13 24.17 24.17 24.67 24.82 25.22 25.49 25.52 25.56 25.57 25.61 25.75 25.82 25.95 26.21 26.29 26.33 26.46 26.52 26.88 26.98 27.09 27.14 27.17 27.30 27.31 27.37 27.38 27.50 27.75 27.76
4.230 4.203 4.173 4.159 4.075 4.018 3.985 3.976 3.968 3.889 3.849 3.844 3.780 3.724 3.689 3.682 3.682 3.609 3..587 3.531 3.494 3.491 3.485 3.483 3.479 3.460 3.451 3.433 3.400 3.390 3.384 3.368 3.361 3.316 3.305 3.291 3.285 3.282 3.267 3.265 3.258 3.258 3.243 3.215 3.214
A4
Ire1
hlc
8 8 8 16 16 8 16 8 8 16 8 8 8 8 16 2 8 8 16 8 4 8 16 8 8 8 8 8 8 8 16 8 8 8 8 8 16 8 8 8 8 8 8 8 8
0.1 2.5 2.4 1.9 6.0 1.1 1.2 1.3 5.8 2.3 23.2 6.1 3.1 0.4 1.8 1.6 0.7 1.9 4.3 0.7 75.0 4.0 1.0 3.7 50.9 0.6 17.3 0.3 0.5 0.6 66.4 33.8 10.6 3.6 1.3 0.4 0.9 0.2 8.9 1.7 1.6 0.7 1.6 1.0 1.8
2 30 1 2 30 1 310 31 312 30 313 2 314 0 315 30 2 1 2 31 1 3 2 31 2 31 3 2 1 319 2 1 2 3 3 2 2 3 2 1 3 3 2 2 2
1 1 0 2 1
16 6 22 10 7 21 1 8
1
17
0
24
0 0 0
9 19 23 12 6 2‘2 10 18 7 13 8 11 20 24
1 1 2 0 1 0 2 1 1 0 0 1 2 0 1
19 23 14 12 10 21 15 11 20 25 14 12 16 22 21
0 0 2 1 0 1 2
20
d
M
Id
27.99 28.04 28.14 28.27 28.39 28.47 28.56 28.58 28.66 28.78 28.79 28.86 28.98 29.10 29.21 29.22 29.28 29.32 29.41 29.49 29.59 29.71 29.75 29.82 30.05 30.20 30.23 30.27 30.50 30.62 30.68 30.71 30.72 30.80 31.08 31.27 31.42 31.59 31.62 31.69 32.05 32.14 32.16 32.30 32.59
3.188 3.182 3.171 3.157 3.144 3.135 3.126 3.123 3.114 3.102 3.100 3.094 3.081 3.069 3.057 3.056 3.050 3.046 3.037 3.029 3.019 3.007 3.003 2.996 2.974 2.960 2.956 2.953 2.931 2.920 2.914 2.911 2.911 2.903 2.877 2.860 2.847 2.832 2.829 2.823 2.792 2.785 2.783 2.772 2.747
16 8 8 8 8 8 8 16 16 8 16 16 16 2 16 8 8 8 8 16 8 8 16 16 8 16 8 8 8 16 16 8 8 8 16 8 8 16 16 8 8 16 8 8 16
1.8 1.8 3.5 100.0 1.2 3.7 37.9 3.1 55.3 64.5 0.1 1.8 89.8 96.8 6.4 3.9 0.2 0.2 29.8 2.2 46.0 0.5 10.1 2.2 0.2 3.6 0.8 53.2 0.6 1.3 0.6 3.7 2.1 0.2 5.6 3.9 0.6 2.7 0.7 0.3 0.2 18.2 1.5 0.5 0.1
VNI
VPI-9
Zeolites
16:323-602,
1996
601
VW
WI-7
COMPOSITION:
Nasa(Si56Zn160144).4OH20
CRYSTAL
Fdd2 (No. 43) a = 39.88 A
b = 10.326 A
cl = 90”
p = 90”
DATA:
REFERENCE:
C. Rghrig, H. Gies and B. Marler, Zeolites 14, 498-503 (1994).
h
k
1
28
d
IIf
I t-t?1
4 1 3 5 2 8 2 4 7 6 9 0 8 2 4 12 1 11 1 6 3 10 10 3 5 5 8 7 13 7 12 10
0 1 1 1 2 0 0 2 1 0 1 2 2 2 2 0 3 1 1 2 3 2 0 1 3 1 2 3 1 1 2 2
0 1 1 1 0 0 2 0 1 2 1 2 0 2 2 0 1 1 3 2 1 0 2 3 1 3 2 1 1 3 0 2
8.87 12.39 13.89 16.51 17.75 17.79 17.92 19.36 19.80 21.94 23.52 24.51 24.83 24.92 26.11 26.83 27.43 27.50 27.67 28.00 28.17 28.28 28.39 28.39 29.59 29.80 30.45 31.61 31.66 31.81 32.03 33.37
9.970 7.146 6.374 5.370 4.998 4.985 4.950 4.585 4.483 4.051 3.783 3.632 3.586 3.573 3.412 3.323 3.251 3.244 3.224 3.187 3.168 3.156 3.144 3.143 3.019 2.998 2.935 2.831 2.826 2.813 2.795 2.685
2 8 8 8
9.1 1.8 100.0 30.4 4.0 17.3 22.4 9.1 5.9 0.8 2.3 0.4 0.3 3.2 11.8 15.3 50.8 22.6 14.5 36.8 14.1 6.9 8.7 30.8 3.9 26.3 17.8 7.2 24.1 0.9 3.6 1.0
602
Zeolites
16:323-802,
c = 10.219 A y = 90”
2
4 8 8 2 8 8 8 8 8 4 4 8 8 8 8 8 8 8
8
1996
hkl 9 9 0 2 0 4 15 16 14 4 12 11 1 11 6 3 5 8 2 8 4 16 14 13 17 4 7 13 6 10 6 9
3 1 4 4 0 4 1 0 0 0 2 3 3 1 4 3 3 4 4 0 4 2 2 3 1 2 3 1 4 4 2 3
1 3 0 0 4 0 1 0 2 4 2 1 3 3 0 3 3 0 2 4 2 0 2 1 1 4 3 3 2 0 4 3
26’
d
34.13 34.32 34.75 35.05 35.13 35.93 35.97 36.03 36.10 36.30 36.65 37.07 37.20 37.25 37.37 37.77 38.87 39.30 39.36 39.64 40.17 40.17 40.23 40.36 40.40 40.42 40.48 40.53 41.48 41.68 41.72 42.55
2.627 2.613 2.581 2.560 2.555 2.499 2.497 2.493 2.488 2.475 2.452 2.425 2.417 2.414 2.406 2.382 2.317 2.292 2.289 2.274 2.245 2.245 2.241 2.235 2.232 2.232 2.228 2.226 2.177 2.167 2.165 2.125
IL1 I rel 8 8 2 4 2 4 8 2 4 4 8 8 8 8 4 8 8 4 8 4 8 4 8 8 8 8 8 8 8 4 8 8
1.2 0.3 2.2 6.5 5.2 0.3 10.1 1.5 9.1 0.5 6.3 6.7 4.4 7.9 1.1 12.6 1.1 1.9 2.6 5.1 0.6 0.9 8.7 3.4 1.9 3.3 0.2 1.5 1.4 0.5 0.4 1.1
hkl 8 8 15 16 15 12 18 18 12 1 19 11 1 3 10 20 10 3 5 5 14 7 17 13 17 12 7 12 20 9 21 9
28 4 2 3 2 1 4 2 0 0 5 1 3 1 5 4 0 2 1 5 1 4 5 3 3 1 4 1 2 2 5 1 1
2 4 1 2 3 0 0 2 4 1 1 3 5 1 2 0 4 5 1 5 0 1 1 3 3 2 5 4 0 1 1 5
43.26 43.49 43.93 44.06 44.09 44.44 44.50 44.57 44.74 44.83 44.9.5 45.02 45.29 45.31 45.46 45.49 45.69 45.77 46.27 46.72 47.53 47.68 47.75 47.86 47.90 48.05 48.11 48.26 48.97 49.50 49.62 49.93
d 2.091 2.081 2.061 2.055 2.054 2.039 2.036 2.033 2.025 2.022 2.016 2.013 2.002 2.001 1.995 1.994 1.986 1.982 1.962 1.944 1.913 1.907 1.904 1.900 1.899 1.893 1.891 1.886 1.860 1.841 1.837 1.827
Al 8 8 8 8 8 4 4 4 4 8 8 8 8 8 8 2 8 8 8 8 4 8 8 8 8 8 8 8 4 8 8 8
Ire1 0.7 0.8 0.4 1.3 0.6 1.6 1.8 6.3 3.8 2.2 0.6 0.3 1.2 1.2 3.0 0.1 2.6 4.3 3.5 0.1 1.5 3.1 0.4 1.7 0.1 0.6 1.8 1.6 0.8 1.5 3.3 2.3
VW
WI-7
-$
/
Zeolites
l&323-802,
1996
603
WEI
Weinebeneite
COMPOSITION:
CRYSTAL
Ca4Belz(OH)s(P04)8.16HzO Weinebene Pass. Koralpe,
DATA:
REFERENCE:
hkl 1 -1 2 1 0 0 0 -1 1 -2 2 3 -2 2 -3 2 0 3 1 -2 -3 -1 -1 4 1 1 2 3 0 -1 -4
604
1 1 0 1 2 0 2 1 1 0 2 1 2 0 1 2 2 1 3 2 1 1 3 0 3 1 2 1 2 3 0
0 1 0 1 0 2 1 2 2 2 0 0 1 2 1 1 2 1 0 2 2 3 1 0 1 3 2 2 3 2 2
d
M
I Id
11.79 14.52 14.97 15.45 18.28 18.51 20.51 21.35 22.64 22.67 23.71 24.35 24.92 25.06 25.26 26.04 26.13 26.90 28.60 29.28 29.32 29.68 29.87 30.20 30.35 31.11 31.19 32.15 33.58 33.86 33.97
7.506 6.101 5.919 5.735 4.853 4.792 4.330 4.161 3.927 3.922 3.753 3.655 3.573 3.554 3.526 3.421 3.410 3.314 3.121 3.050 3.046 3.009 2.991 2.959 2.945 2.874 2.867 2.784 2.669 2.648 2.639
4 4 2 4 2 2 4 4 4 2 4 4 4 2 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 2
17.7 19.0 100.0 69.7 35.3 34.2 52.2 38.1 7.1 8.6 1.4 7.4 12.5 10.8 7.1 63.8 7.4 8.3 5.0 2.2 30.2 14.3 19.3 38.3 34.3 27.5 2.2 33.0 0.3 1.4 3.5
Zeolites
16:323-802,
Clcl (No. 9) unique axis b, cell choice 1 a = 11.897 A b = 9.707 hl c = 9.633 it ct = 90” /Cl = 95.76” y = 90” F. Walter, Eur. J. Mineral.
20
1996
Austria.
hkl 1 4 -3 -2 3 -4 -3 0 4 0 4 3 2 0 -1 -4 -2 3 5 -5 -1 2 1 -2 1 5 2 0 3 4 -5
3 2 1 2 3 2 3 4 0 0 2 3 2 4 1 2 0 1 1 1 3 4 1 4 3 1 4 4 3 2 1
2 0 3 3 0 1 1 0 2 4 1 1 3 1 4 2 4 3 0 1 3 0 4 1 3 1 1 2 2 2 2
4 1275-1283
(1992).
28
d
M
I Id
34.71 35.53 35.56 35.73 35.89 35.97 36.53 37.04 37.28 37.54 37.58 37.73 38.13 38.26 38.71 38.84 39.12 39.13 39.17 39.39 39.84 40.16 40.23 40.93 40.95 41.25 41.66 41.72 41.78 41.82 41.88
2.584 2.527 2.525 2.513 2.502 2.496 2.459 2.427 2.412 2.396 2.393 2.384 2.360 2.352 2.326 2.318 2.303 2.302 2.300 2.288 2.263 2.245 2.242 2.205 2.204 2.189 2.168 2.165 2.162 2.160 2.157
4 4 4 4 4 4 4 2 2 2 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4
0.7 1.5 3.8 65.1 8.9 1.8 20.1 14.9 1.0 6.9 4.2 2.9 12.0 1.4 5.7 1.4 1.9 4.5 1.3 2.4 1.4 4.3 7.6 5.6 2.0 3.7 4.6 0.8 0.3 3.9 2.5
hkl 0 2 -3 -2 -4 -2 -3 2 5 6 2 -4 -5 0 3 1 3 5 4 -5 -6 -1 -1 1 1 -2 -4 5 1 6 -6
2 0 1 2 2 4 3 4 1 0 2 0 1 4 1 5 3 3 2 3 0 1 5 3 5 4 4 3 1 2 2
4 4 4 4 3 2 3 2 2 0 4 4 3 3 .1 0 3 0 3 1 2 5 1 4 1 3 1 1 5 0 1
20
d
42.05 42.08 43.18 43.50 43.73 43.87 44.55 45.25 45.37 46.00 46.23 46.30 46.34 47.02 47.25 47.46 47.57 47.59 47.77 47.78 48.08 48.25 48.29 48.51 48.61 48.67 48.86 49.39 49.84 49.90 49.92
2.149 2.147 2.095 2.080 2.070 2.064 2.034 2.004 1.999 1.973 1.964 1.961 1.959 1.933 1.924 1.916 1.912 1.911 1.904 1.904 1.892 1.886 1.884 1.877 1.873 1.871 1.864 1.845 1.830 1.828 1.827
A4
I rel
4 2 4 4 4 4 4 4 4 2 4 2 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4
2.4 3.0 2.2 0.8 5.8 8.9 0.7 1.5 2.3 8.9 0.8 5.5 3.2 3.1 6.2 0.6 7.2 1.4 4.7 24.6 1.9 1.7 1.0 0.3 1.1 11.3 2.5 2.1 0.4 3.8 0.9
WEI
Weinebeneite
Zeolites
16:323-802,
1996
605
-WEN
Wen kite
COMPOSITION:
(Ba3.5Ko.5)(Ca5.5N~L0.5)(Sill.oA1g.o)041(OH)2(S04)3.H2O
Candoglia, Italy. CRYSTAL
DATA:
k
1
1 0 1
0 0 1
0 1 0
1 2 1 2 2 3 2 0 1 3 2 1 3 2 2 3 4
0 0 1 0 1 0 1 0 0 0 2 1 1 0 2 1 0
1 0 1 1 0 0 1 2 2 1 0 2 0 2 1 1 0
606
7.56 11.86 13.11 14.08 15.14 17.71 19.28 20.08 22.80 23.38 23.85 25.05 25.77 26.39 27.31 27.48 28.37 29.02 30.03 30.56
Zeolites
11.701 7.462 6.756 6.291 5.850 5.008 4.604 4.423 3.900 3.805 3.731 3.555 3.457 3.378 3.266 3.245 3.146 3.077 2.976 2.925
16:323-602,
c = 7.462 .& y = 120”
S. Merlino? Acta Cryst. B30, 1262~-1266 (1974).
REFERENCE:
h
P62m (No. 189) a = 13.511 A b = 13.511 8, a = 90” p = 90”
6 2 6 12 6 12 12 12 6 24 2 12 12 6 12 12 12 12 24 6
1996
0.1 24.9 27.7 12.0 3.9 17.5 32.1 4.3 0.1 31.6 32.5 Ij6.8 100.0 62.5 4.2 63.2 83.0 20.1 26.9 0.1
2 4 3 3 4 3 2 0 3 4 5 1 4 2 3 5 4 3 2 3
1 0 0 2 1 2 2 0 1 1 0 1 0 0 3 0 2 2 1 3
1
28
d
nf
Ire1
hkl
2 1 2 0 0 1 2 3 2 1 0 3 2 3 0 1 0 2 3 1
31.37 32.89 33.23 33.38 35.15 35.54 35.86 36.11 36.70 37.22 38.47 38.57 39.13 39.36 40.04 40.39 40.81 41.44 41.66 41.90
2.852 2.723 2.696 2.684 2.553 2.526 2.504 2.487 2.449 2.416 2.340 2.334 2.302 2.289 2.252 2.233 2.211 2.179 2.168 2.156
24 12 12 12 12 24 12 2 24 24 6 12 12 12 6 12 12 24 24 12
37.4 15.0 32.7 68.0 3.6 2.4 16.3 3.1 30.9 18.6 19.1 5.5 7.7 15.1 7.1 65.5 1.1 19.0 5.1 3.0
4 4 5 3 5 2 5 3 6 3 4 4 4 5 0 4 1 5 3
28 2 1 1 0 1 2 0 1 0 3 3 2 0 2 0 3 0 1 2
1 2 0 3 1 3 2 3 0 2 0 2 3 0 4 1 4 2 3
42.64 42.92 43.04 43.13 44.80 45.27 45.77 45.97 46.57 47.14 47.25 47.81 48.01 48.59 48.82 48.89 49.47 49.80 49.99
d
Jf
IreI
2.120 2.107 2.101 2.097 2.023 2.003 1.982 1.974 1.91jO 1.928 1.924 1.902 1.895 1.874 1.866 1.863 1.842 1.831 1.825
24 24 12 12 24 12 12 24 6 12 12 24 12 12 2 24 12 24 24
23.8 1.7 2.5 21.9 0.5 2.3 8.6 8.8 3.7 3.9 2.5 0.9 10.6 1.6 19.5 10.2 0.7 1.6 22.6
-WEN
Wen kite
J -.
Zeolites
16:323-802,
1996
607
YUG
Yugawaralite
COMPOSITION:
Caz(Si12A14032).8H20 Hvalfjijrdur, Iceland.
CRYSTAL
Plcl (No. 7) unique axis b, cell choice 1 a = 6.700 A b = 13.972 A c = 10.039 A 0 = 111.07” a = 90” y = 90”
DATA:
REFERENCE:
h
k
0 0 0 1 -1 1 0 -1 0 1 0 -1 0 -1 1 0 0 -1 1 -1 1 0 -1 0 -2 1 1 -1 -2 1 2 -2 2 1 0 -2 -1 1 -2 2 0 0 -1 1 -2
1 1 2 0 1 1 2 2 0 2 3 0 1 1 1 3 2 2 2 3 3 3 3 4 1 3 0 1 0 1 0 1 1 4 1 2 2 2 2 2 2 4 4 4 3
608
1 0 1 0 0 1 0 1 1 2 0 0 2 2 2 1 1 2 2 1 1 0 2 2 1 1 1 2 3 2 2 0 2 0 0 3 1 3 2 2 0 3 2 2 1 1
28 6.33 11.37 12.67 14.17 15.30 15.53 15.82 18.86 18.95 19.05 19.06 19.16 19.99 20.20 20.71 21.31 22.86 23.04 23.49 23.67 23.82 27.00 27.15 27.25 27.39 27.54 27.60 27.70 28.05 28.34 28.55 28.78 29.28 29.29 29.31 29.58 29.87 30.47 30.88 31.35 31.38 31.96 32.09 32.43 32.94
Zeolites
d 13.972 7.781 6.986 6.252 5.790 5.707 5.600 4.704 4.684 4.659 4.657 4.632 4.441 4.397 4.288 4.170 3.890 3.860 3.786 3.758 3.735 3.303 3.284 3.273 3.256 3.238 3.232 3.220 3.181 3.149 3.126 3.102 3.051 3.049 3.047 3.020 2.991 2.933 2.895 2.853 2.851 2.800 2.789 2.761 2.719
16:323-802,
A. Kvick, G. Artioli and J. V. Smith, Z Kristallogr. 174, 265.-281 (1986).
M
I rel
h
k
2 4 2 2 4 4 4 4 2 4 2 2
4.9 8.1 31.0 6.4 82.8 1.5 2.4 0.3 29.2 50.9 6.2 71.5 5.9 13.5 34.8 18.2 6.6 2.3 1.9 9.9 3.1 5.3 3.5 2.2 6.5 8.3 27.1 11.1 2.3 3.4 7.7 5.2 1.6 100.0 16.8 2.5 3.9 15.1 24.3 4.7 1.0 0.7 0.5 14.9 0.2
-2 -1 0 1 2 -2 2 0 -2 -1 1 2 -1 -1 1 -2 -1 0 -1 -2 1 -1 -2 0 2 2 0 0 1 -2 0 -2 0 2 -3 0 -1 -2 -3 -1 -3 1 1 -2 -2
1 3 5 3 1 3 3 3 2 5 5 2 0 1 1 4 4 5 5 3 4 2 4 0 4 3 6 4 2 0 1 1 6 1 0 2 3 2 1 6 1 6 3 4 5
4 4 4 2 4 2 4 2 4 4 4 4 4
1996
1 3 3 1 2 1 2 0 3 3 1 0 1 4 4 3 1 3 2 2 3 2 4 2 4 0 1 0 3 3 4 4 4 1 2 2 4 4 4 2 1 1 0 3 3 1
26,
d
33.08 33.21 33.46 33.75 33.95 34.13 34.56 34.58 34.95 35.07 35.18 35.78 35.78 36.37 37.08 37.19 37.43 37.48 37.59 37.89 37.92 38.10 38.27 38.44 38.65 38.66 38.66 38.68 38.78 38.89 38.99 39.44 39.89 40.56 40.56 40.63 40.85 41.06 41.10 41.28 41.37 41.37 41.49 41.70 42.12
2.708 2.698 2.678 2.655 2.641 2.627 2.596 2.594 2.567 2.558 2.551 2.510 2.509 2.470 2.425 2.417 2.402 2.400 2.393 2.375 2.372 2.362 2.352 2.342 2.329 2.329 2.329 2.328 2.322 2.316 2.310 2.285 2.260 2.224 2.224 2.221 2.209 2.198 2.196 2.187 2.182 2.182 2.177 2.166 2.145
ii4
I rel
h
k
1
28
d
4 4 4 4 4 4 4
17.6 4.3 10.0 3.9 8.8 8.2 2.6 0.4 5.0 1.6 3.2 1.0 4.3 5.5 5.9 2.5 0.4 2.5 0.7 0.9 0.8 9.4 0.7 8.3 1.4 3.2 0.5 1.4 1.3 2.1 1.0 1.1 0.6 1.0 1.2 1.1 2.0 2.5 0.8 3.2 0.5 0.5 2.5 1.6 1.8
2 -1 2 -3 1 -2 -3 0 0 3 2 0 -1 -2 1 3 -1 -3 2 1 -3 3 -3 0 -1 1 -2 1 0 -3 2 -2 -3 -2 -1 -3 -2 -1 3 170 1 2 1 -2 3
2 5 4 2 5 5 1 3 6 0 5 5 6 3 6 1 4 2 3 4 3 2 3 7 1 0 5 1 7 0 5 4 3 1 2 1 6 6 3
2 3 1 2 2 2 3 4 2 0 0 3 2 4 1 0 4 3 2 3 2 0 1 0 5 4 3 4 1 4 1 4 3 5 5 4 1 3 0
2 4 6 6 1
4 2 2 2 1
42.14 42.33 42.42 42.66 42.78 43.08 43.14 43.24 43.39 43.42 43.43 43.46 43.50 43.65 43.76 43.93 44.45 44.65 44.68 45.05 45.18 45.41 45.43 45.44 45.74 46.01 46.23 46.49 46.52 46.79 46.89 47.08 47.08 47.19 47.19 47.26 47.56 47.76 47.81 47.84 47.92 48.06 48.16 48.44 48.48
2.144 2.135 2.131 2.119 2.114 2.099 2.097 2.092 2.085 2.084 2.083 2.082 2.080 2.074 2.069 2.061 2.038 2.029 2.028 2.012 2.007 1.997 1.996 1.996 1.983 1.972 1.964 1.953 1.952 1.942 1.938 1.930 1.930 1.926 1.926 1.923 1.912 1.904 1.902 1.901 1.898 1.893 1.889 1.879 1.878
4 4
4 4 4 4 4 2 4 4 2 4 2 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4
A4 Ire1 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 2 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4
2.3 1.9 4.2 0.1 1.2 1.3 3.9 1.2 0.9 8.9 0.9 1.2 0.9 0.5 0.9 0.1 2.0 0.6 0.6 1.7 2.5 0.9 4.7 1.1 1.3 3.3 0.5 1.3 5.5 2.3 0.7 0.2 0.3 2.2 0.7 4.7 0.3 2.0 0.7 1.9 0.8 9.1 0.3 0.1 0.5
YUG
Yugawaralite
Zeolites
16:323-802,
1996
609
ZON
Tetramethvlammonium
COMPOSITION:
(A124P32zn80128).s(CH3)4N
CRYSTAL
Pbca (No. 61) a = 14.226 A ck = 90”
DATA:
REFERENCE:
hkl 1 0 0 10 2 0 1 2 2 0 2 2 0 2 0 3 2 1 1 3 2 1 2 2 0 0 2 2 0 1 2 3 1 4 0 4 4 1 2 2 4 2 1 3 4
610
20 1 0 2 0 2 1 10 1 2 2 21 2 2 0 1 1 0 3 0 3 1 3 2 2 4 0 3 4 2 1 1 4 0 4 1 1 4 2 4 0 41 3 0 1
1 2 0 2 0 1 2 1 2 0 3 2 4 1 3 4 2 2 0 4 1 3 4 0 4 2 1 4 4 3 1 0 2 0 1 2 4 0 2 4 4 2
9.91 10.08 11.71 11.85 12.44 12.75 13.22 13.76 14.66 15.47 17.12 17.85 19.18 19.90 20.23 20.27 20.51 21.18 21.27 21.30 21.61 21.99 22.20 22.93 23.44 23.54 23.82 23.90 24.09 24.27 24.55 24.87 24.90 25.04 25.66 25.73 26.24 26.43 26.62 26.71 27.05 27.20 27.67 27.69 27.70
Zeolites
ZAPO-Ml
c = 17.557 w y = 90”
B. Marler, J. Patarin and L. Sierra, Private communication (1995).
d
M
I lY?l
h
k
8.922 8.779 7.558 7.471 7.113 6.943 6.697 6.436 6.043 5.728 5.180 4.968 4.627 4.461 4.389 4.382 4.330 4.194 4.177 4.172 4.112 4.041 4.004 3.879 3.796 3.779 3.735 3.724 3.695 3.667 3.626 3.580 3.576 3.557 3.471 3.462 3.397 3.372 3.349 3.337 3.296 3.279 3.224 3.221 3.221
8 2 2
0.2 100.0 11.4 0.6 33.4 2.5 0.7 39.2 2.8 2.6 0.4 0.8 25.1 51.1 2.0 0.8 61.5 0.2 0.2 0.3 15.6 0.1 1.5 29.5 5.7 14.8 27.6 4.7 13.5 0.5 1.8 0.2 0.2 2.4 40.5 1.8 13.1 0.3 2.9 0.6 0.9 0.5 0.1 0.4 24.0
4
2 2 4 2 1
16:323-802,
b = 15.117 A p = 90”
2 4
2 8 8 8 4 8 8 8 4 2 4 8 4 8 8 8 8 2
1996
0 0 4 3 2 1 2 4 2 4 3 0 2 4 4 0 4 3 2 0 4 5 2 2 2 2 1 5 4 4 0 4 5 2 3 0 2 0 1 4 3 3 0 2
4 4 1 2 3 1 2 0 2 3 3 4 2 1 5 2 1 0 3 1 4 5 5 2 3 2 4 4 2 2 5 6 5 6 3 1 3 5 6 4
1 0 5 3 1 4 2 3 5 2 4 3 4 6 5 0 1 4 3 5 1 6 4 2 5 6 4 2 3 1 3 4 5 1 2 6 1 0 3 1 6 5 5 2 2 5
20
d
M
I rel
h
k
1
20
d
Al
Irel
27.72 28.02 28.11 28.19 28.33 28.61 28.81 28.97 29.56 29.77 29.99 30.16 30.55 30.76 30.77 31.20 31.23 31.73 32.27 32.58 32.82 32.95 33.10 33.56 33.64 33.74 33.79 33.96 34.05 34.46 34.56 34.88 35.02 35.22 35.23 35.58 35.63 35.73 36.01 36.05 36.44 36.49 36.71 37.12 37.17
3.218 3.184 3.175 3.165 3.150 3.120 3.099 3.082 3.021 3.001 2.980 2.963 2.926 2.907 2.906 2.867 2.864 2.820 2.774 2.748 2.729 2.718 2.707 2.670 2.664 2.657 2.652 2.640 2.633 2.602 2.595 2.572 2.562 2.548 2.548 2.523 2.519 2.513 2.494 2.491 2.465 2.462 2.448 2.422 2.419
4
0.9 0.4 1.4 0.6 0.1 4.6 0.5 1.5 1.1 2.9 24.4 0.1 1.0 11.4 2.1 2.5 1.1 0.1 0.1 6.5 12.2 3.7 0.1 0.1 3.5 1.5 0.6 0.1 0.2 3.4 0.7 0.3 0.1 0.2 4.1 0.2 0.5 9.2 1.6 0.1 1.5 0.2 0.2 1.1 1.5
2 2 6 4 2 1 6 6 0 4 2 4 1 6
3 6
6
4 61 2 1 1 4 5 6 5 4 2
3
37.73 37.88 37.95 37.99 38.24 38.34 38.43 38.78 38.92 39.10 39.30 39.45 39.46 39.85 39.90 39.94 40.19 40.29 40.36 40.48 40.68 41.01 41.02 41.02 41.21 41.27 41.32 41.40 41.52 41.72 41.87 42.09 42.12 42.45 42.67 42.91 43.29 43.32 43.41 43.42 43.51 43.57 43.81 43.81 43.91
2.384 2.375 2.371 2.368 2.353 2.348 2.342 2.322 2.314 2.304 2.293 2.284 2.284 2.262 2.260 2.257 2.244 2.239 2.235 2.228 2.218 2.201 2.201 2.200 2.191 2.187 2.185 2.181 2.175 2.165 2.158 2.147 2.145 2.130 2.119 2.108 2.090 2.089 2.084 2.084 2.080 2.077 2.067 2.066 2.062
8 4 2 8 8 8 4 8 4 4 8 8 8 4 4 8 8 8 8 8 8 8 8 8 8 8 4 8 8 8 8 8 4 8 8 4 4 8 8 8 8 8 8 4 8
0.2 1.4 2.4 0.7 2.8 0.3 1.7 1.3 2.0 4.2 1.6 1.9 0.3 0.2 0.3 2.3 0.1 0.6 0.8 0.7 0.2 0.5 0.2 0.6 0.2 0.1 0.8 4.5 3.2 0.8 0.1 0.1 1.1 0.1 0.1 0.5 0.2 0.6 0.6 0.3 0.2 0.5 0.2 0.3 4.0
4 8
8 8 4 8
4 2 6 4 4 3 13 2
5 2‘ 6 5 0 2 6 4
5 1 6 6 5
0 0 2 4 6 3 2 6 2 4
0 0 0
0 2 2 3 1 5
7 0 1 6
0 2 1 6
0 6 7 1
5 6 2
7 6
4 3 2 1 6 5 1 2 3 1 3 3 4 2 4 6 4 3 6 1 1 7 3
3 2 6 2 5 4 5 3 6 4 8
0 1 3 8 7 4 5 2 3 8 4
0 6
ZON
ZAPO-Ml
c c
’ Zeolites
16:323-802,
1996
611
AIDha
COMPOSITION:
CRYSTAL
Si408 Ellora,
DATA:
k
1 1 1 1
0 1 1 0
612
1 1 0 1 2
Zeolites
India.
W. A. Dollase, Z. Kristallogr. 121, 369-377
20
d
lvl
Irei
22.00 25.34 28.47 31.44
4.041 3.514 3.135 2.845
8 4 8 8
100.0 0.7 9.0 11.2
16:323-802,1996
Hyderabad,
P412~2 (No. 92) a = 4.97 A b = 4.97 A p = 90” cy = 90”
REFERENCE:
h
Cristobalite
h k 2 1 2 1
0 1 1 0
1 0 2 1 3
c = 6.94 A y = 9o”
(1965).
20
d
A4
IreI
hkl
36.15 36.38 42.72 43.13
2.485 2.469 2.117 2.097
4 8 16 8
14.0 4.3 2.7 0.2
2 1 2
0 1 1
2 3 2
20
d
44.86 47.03 48.65
2.020 1.932 1.872
JJ4 Ire1 8 8 16
2.6 5.2 5.4
Alpha
Cristobalite
Zeolites
16:323--fSO2,~996
613
Keatite
COMPOSITION:
CRYSTAL
Si12024 Synthetic
DATA:
P43212 (No. 96) a = 7.46 A b = 7.46 ii cr = 90” p = 90”
REFERENCE:
hkl 1 1 1 2 1 2 2 1 2
614
0 1 1 0 0 0 1 1 1
1 0 1 0 2 1 0 2 1
J. Shropshire, Z. Kristallogr.
20
d
Af
Ire1
15.72 16.81 19.74 23.86 23.86 26.03 26.72 26.73 28.70
5.638 5.275 4.498 3.730 3.729 3.423 3.336 3.335 3.111
8 4 8 4 8 8 8 8 16
4.4 0.2 11.0 0.7 39.8 100.0 0.5 20.7 15.5
Zeolites
16:323-802.
material.
1996
P. P. Keat, P. A. Vaughan, 112, 409-413 (1959).
hkl 2 2 2 1 3 3 3 2 2
0 2 1 1 0 1 1 2 I
c = 8.61 A y = 90”
2 0 2 3 1 0 1 2 3
20
d
31.74 33.99 34.00 35.61 37.65 38.15 39.61 40.09 41.50
2.819 2.638 2.637 2.521 2.389 2.359 2.275 2.249 2.176
Al
-Id
8 4 16 8 8 8 16 8 16
0.4 0.3 0.3 1.6 0.2 0.1 0.7 3.2 3.7
hkl 0 3 3 1 1 3 4 3
219 0 2 1 0 1 0 0 2
4 0 2 4 4 3 0 2
41.97 43.75 43.76 43.77 45.51 48.43 48.83 48.84
d 2.152 2.069 2.069 2.068 1.993 1.879 1.865 1.865
Af
IreI
2 8 16 8 8 8 4 16
1.2 0.2 1.9 0.8 0.7 6.5 7.8 2.6
Keatite
Zeolites
l&323-802,
1996
615
Moganite
COMPOSITION:
CRYSTAL
Si12024 Mogan formation,
DATA:
REFERENCE:
I1 2/u 1 (No. a = 8.758 A ck= 90”
Gran Canaria,
Canary
Islands.
15) unique axis b: cell choice 3 b = 4.876 A c = 10.715 A ii-J= 90.08” y = 90”
G. Miehe and H. Graetsch, Eur. J. hIinera1. 4, 693--706 (1992).
hkl 0 0 2 -2 2 -1 1 -2 2 0 0 3
616
0 1 0 0 0 1 1 1 1 1 0 1
2 1 0 2 2 2 2 1 1 3 4 0
16.55 20.01 20.28 26.27 26.30 26.73 26.74 28.63 28.65 31.04 33.45 35.85
Zeolites
5.358 4.438 4.379 3.393 3.388 3.336 3.333 3.118 3.116 2.881 2.679 2.505
16:323-802,
2 4 2 2 2 4 4 4 4 4 2 4
0.2 45.7 22.3 47.4 75.5 100.0 57.3 26.7 12.1 16.4 1.0 1.2
1996
0 -2 2 -1 1 -2 2 -3 3 1 0 4
2 1 1 2 2 0 0 1 1 1 2 0
0 3 3 1 1 4 4 2 2 4 2 0
36.87 37.34 37.38 39.27 39.27 39.41 39.46 39.70 39.74 39.76 40.66 41.23
2.438 2.408 2.406 2.294 2.294 2.286 2.284 2.270 2.268 2.267 2.219 2.190
2 4 4 4 4 2 2 4 4 4 4 2
9.2 0.1 1.3 3.3 5.0 7.6 0.6 0.4 0.4 4.2 0.9 6.8
2 -4 3 2 -4 4 -1 1 0 -3 3
28 2 0 0 2 1 1 2 2 1 1 1
0 2 2 2 1 1 3 3 5 4 4
42.43 44.69 44.73 45.85 46.22 46.24 46.25 46.27 46.28 49.81 49.87
d 2.130 2.028 2.026 1.979 1.964
iv
IreI
4 2 2 4 4
9.5 1.9 3.8 0.5 0.4 3.0 0.5 0.4 0.6 11.2 12.5
1.963
4
1.963 1.962 1.962 1.831 1.828
4 4 4 4 4
Moganite
i
Zeolites
16:3X3-602,
1996
617
AIDha Quartz
COMPOSITION:
CRYSTAL
Si3Ofj Synthetic
DATA:
P3221 (No. 154) u = 4.916 A b = 4.916 .k cy = 90” p = 90”
1 0 1 1
618
0 1 0 1
0 1 1 0
20
d
20.86 26.65 26.65 36.56
4.257 3.345 3.345 2.458
Zeolites
16:323-802,
c = 5.4054 A y = 120”
L. Levien, C. T. Prewitt and D. J. Weidner, Am. Mineral 65, 920-930 (1980).
REFERENCE:
hkl
material.
n!f
Ire,
hkl
6 6 6 6
26.7 8.9 100.0 9.6
0 1 1 2
1996
26, 1 0 1 0
2 2 1 0
39.49 39.49 40.31 12.46
d 2.282 2.282 2.237 2.129
Al
Ire1
hkl
6 6 1’ 6
21.2 1.1 8.3 7.0
0 2
2 0
1 1
20
d
45.81 45.81
1.981 1.981
Iv
6 6
Ire1
1.3 2.8
Alpha
Quartz
Zeolites
16:323-802,
1996
619
Tridymite COMPOSITION:
si48096
From the Steinbach meteorite, Harvard Museum, U.S.A. CRYSTAL
DATA:
REFERENCE:
hkl 0 2 2 1 -1 -4 -1 1 2 -1 -4 1 -2 -3 -1 3 0 4 -3 311 -3 312 -1 -4 -3 2 1 3 4 -6 -6 -3 -5 -2 6 -5 3 -5 116 -5 -1 5 -4 -5 -3
0 0 0 1 1 0 1 1 0 1 0 1 0 1 1 10 0 0 1
2 0 2 0 1 2 2 2 4 3 4 3 6 1 4
1
4
1 0 1 0 1 13 0 0 0 1 1 0 0 1 1 1
5 6 5 6 5 4 2 4 6 2 8 0 1 4 3
1 1 1 0 1 1
4 7 1 8 5 7
620
6 2 3
Clcl (No. 9) unique axis b, cell choice 1 a = 18.524 A b = 5.0032 A c = 23.810 cl = 90” ,d = 105.82" y = 90” W. A. Dollase, W. H. Baur, Am. Mineral. 61, 971-978 (1976).
28
d
M
Id
hk
7.72 9.93 14.16 18.42 18.54 19.31 19.46 20.52 20.59 21.07 21.68 22.54 22.70 22.88 23.24 23.24 23.30 23.31 24.11 24.24 25.62 25.81 25.83 26.27 27.62 27.82 27.84 27.85 28.54 28.92 29.87 30.02 30.03 30.06 30.08 30.16 30.28 30.41 30.94 31.30 31.91 31.92 32.22 32.65 32.73
11.454 8.911 6.255 4.817 4.785 4.597 4.562 4.328 4.313 4.217 4.100 3.945 3.917 3.887 3.828 3.827 3.818 3.816 3.691 3.671 3.476 3.452 3.449 3.392 3.229 3.207 3.204 3.203 3.128 3.087 2.991 2.977 2.976 2.972 2.970 2.963 2.951 2.939 2.890 2.858 2.805 2.803 2.778 2.743 2.736
2 2 2 4 4 2 4 4 2 4 2
0.4 0.2 0.2 0.6 0.2 2.4 1.1 100.0 56.5 1.7 82.5 0.3 0.6 1.3 27.0 26.8 15.7 15.0 0.4 3.1 0.5 2.5 2.3 4.5 3.5 1.5 1.3 0.8 0.9 1.1 0.1 6.1 7.3 4.5 5.1 1.0 2.1 2.1 0.5 0.2 0.5 1.9 5.5 0.4 1.2
117 -5 40 513 20 -3 02 316 02 -5 -2 02 -1 -3 -7 -5 -7 -4 -8 317 710 -7 515 71 -8 -2 -7 02 11 2 40 42 -3 -4 -1 712 -7 31 -6 -2 516 02 42 2 60
Zeolites
16:323-802,1996
2 4 4 2 2 4 4 4 4 2 4 2 4 4 2 2 2
4 4 4
H,
1 1
1
6 6 8 8 0
1 1 1 1 1 0 0
1 7 10 3 9 9 1 8 4 10 2
1
5
1 0
0 2 1
2
1 2 1 1 0 2
0
1 6 5 6 5 9 4 8 1 10 4 10 7 8 10 6 6 2 10 6
28 34.24 34.41 34.87 35.43 35.44 35.71 35.90 36.03 36.12 36.53 37.79 37.84 38.78 38.90 38.92 38.97 38.98 39.00 39.03 39.24 39.72 39.82 40.30 40.91 40.96 41.03 41.04 41.11 41.32 41.74 41.89 42.13 42.27 42.32 42.43 42.45 42.61 42.63 42.77 42.89 43.13 43.24 43.24 43.38 43.40
d 2.619 2.607 2.573 2.533 2.533 2.514 2.502 2.493 2.487 2.460 2.381 2.377 2.322 2.315 2.314 2.311 2.311 2.309 2.308 2.296 2.269 2.264 2.238 2.206 2.203 2.200 2.199 2.196 2.185 2.164 2.156 2.145 2.138 2.136 2.131 2.129 2.122 2.121 2.114 2.108 2.097 2.092 2.092 2.086 2.085
ill
I El
4 4
4.1 2.6 1.1 3.4 0.1 0.4 20.9 11.0 0.1 0.4 0.5 0.1 0.6 0.2 0.3 1.8 4.6 2.3 6.7 0.4 0.2 0.2 2.3 0.4 0.6 0.2 0.1 0.1 1.6 0.3 0.3 0.2 0.4 2.4 0.2 0.3 0.6 1.9 0.2 0.1 0.4 3.0 2.7 2.0 1.3
4 4 4
4
4 4 4 4 2 4 4 4 4 2 2
hkl -8 -5 42 -4 1 -2 02 -3 -2 22 319 517 -1 -4 42 714 -7 -6 -6 -6 -2 62 0 80 -5 -9 -9 -6 -9 62 22 -9 -8 1 715 -4 -7 -9 -6 -10 910 62 3 60
28 0 1 2 1 2 1 0
8 10 3 6 10 7 7 11 12 6
1 0
11 12 4
1 2 2 2 2
1 0 1
9 3 1 3 8 0 12 4 11 3 2 5 5 1 7 1 10 11
2 1 1 0 0
8 10 6 12 4
1
2 10 8
0 1 1 1 2 1
44.18 44.61 44.70 45.03 45.06 45.06 45.65 45.80 45.81 46.01 46.17 16.18 46.20 46.36 46.48 46.49 46.71 46.88 46.95 47.37 47.50 47.52 47.63 47.66 47.76 47.79 48.02 48.21 48.38 48.43 48.55 48.59 48.62 48.91 48.93 49.00 49.17 49.19 49.20 49.23 49.50 49.67 49.85 49.90
d 2.050 2.031 2.027 2.013 2.012 2.012 1.987 1.981 1.981 1.972 1.966 1.966 1.965 1.959 1.954 1.953 1.945 1.938 1.935 1.919 1.914 1.913 1.909 1.908 1.904 1.903 1.895 1.887 1.881 1.880 1.875 1.874 1.872 1.862 1.862 1.859 1.853 1.852 1.852 1.851 1.841 1.836 1.829 1.828
fif
Ire1
2 4 4 4 4 4 4 4 2 4 4 4 4 2 4 4 4 4 4 4 4 4 2 2 4 4 4 4 4 4 4 4 2 4 4 4 4 4 2 2 4 4 4 2
2.6 0.7 0.2 0.2 0.2 0.6 0.3 0.7 0.3 0.6 0.3 0.1 0.1 0.7 0.3 0.2 1.2 0.1 0.2 0.3 0.2 0.3 0.2 0.3 0.1 0.9 0.1 0.2 0.6
0.2 0.1 0.3 0.6 0.2 0.6 0.8 0.2 0.3 0.3 0.3 0.2 0.2 0.8 1.1
Tridymite
Zeolites
16:323-802,
1996
621
EXTRA
INTENSITY
LISTINGS
Zeolites
16:323-802,
1996
623
AEI
Calcined
h
k
1
28
5 -3 3 0 -5 5 1 -3 -4 4 -5 5
3 1 1 4 1 1 3 5 2 2 3 3
4 8 8 7 6 6 8 4 7 7 5 5
43.88 44.34 44.34 44.46 44.72 44.72 45.00 45.20 45.52 45.53 46.38 46.39
d 2.063 2.043 2.043 2.038 2.026 2.026 2.014 2.006 1.993 1.992 1.958 1.957
hf
Ire1
4 4 4 4 4 4 4 4 4 4 4 4
0.2 0.3 0.2 0.1 0.2 0.2 0.2 0.1 0.2 0.1 0.2 0.2
hkl -6 6 -1 7 7 7 5 -4 4 -3 -3 3
AIP04-18
20 2 2 5 1 1 1 5 4 4 1 3 1
4 4 6 0 1 2 0 6 6 9 8 9
46.53 46.54 46.66 46.93 47.20 48.00 48.80 48.89 48.90 48.96 48.96 48.96
d 1.952 1.951 1.946 1.936 1.925 1.895 1.866 1.863 1.863 1.861 1.860 1.860
A!l
IL&?1
hk
4 4 4 4 4 4 4 4 4 4 4 4
0.2 0.2 0.2 0.2 0.3 0.2 0.9 0.1 0.5 0.1 0.2 0.1
-2 0 -5 55 -5 -7 53 713 06 -5 55
6 0 5
1
28
d
4 10 1 1 6 3 6
1.858 1.857 1.857 1.857 1.848 1.848 1.848 1.848 1.842 1.829 1.829
M Irei 4 2 4 4 4 4 4 4 4 4 4
0.1 1.1 0.4 0.5 0.4 0.3 0.2 0.3 0.3 0.2 0.4
5
5 2 2
49.03 49.05 49.07 49.07 49.31 49.31 49.32 49.32 49.47 49.84 49.85
1
26,
d
M
Irei
48.42 49.15 49.17 49.29 49.42 49.53 49.54 49.73 49.75 49.79
1.880 1.854 1.853 1.849 1.844 1.840 1.840 1.833 1.833 1.831
4 4 4 4 2 4 4 4 4 4
0.4 0.1 0.1 0.2 1.9 0.1 0.5 0.1 0.2 0.1
d
M
Ire1
1.893 1.886 1.875 1.868 1.867 1.858 1.851 1.850 1.838 1.835 1.829 1.828 1.826 1.826
4 4 8 8 8 8 8 8 8 8 2 4 8 8
3 1
Calci ned Al Pod-41
h
k
1
20
d
AI
3 5 5 2 2 2 2 2 0 3
-4 -2 -3 3 -5 -1 5 -7 62 3
3 0 0 3 3 4 1 1
46.45 46.87 46.88 46.96 46.97 47.35 47.47 47.48 47.53 47.59
1.955 1.938 1.938 1.935 1.935 1.920 1.915 1.915 1.913 1.911
4 2 2 4 4 4 4 4 4 4
2
AFR
h
k
0.6 1.0 0.7 0.1 0.3 0.3 0.9 1.6 0.3 0.4
3 3 1 1 5 1 1 0 5 5
40 -7 2 -3 -1 6 -7 53 -2 -3
1 0 4 4 0 1 1 1 1
28
d
M
IreI
h
k
47.84 47.87 47.88 47.88 47.98 48.00 48.01 48.04 48.20 48.20
1.901 1.900 1.900 1.900 1.896 1.895 1.895 1.894 1.888 1.888
2 2 4 4 2 4 4 4 4 4
0.9 0.4 0.1 0.3 0.1 0.3 0.4 0.5 0.4 0.1
0 3 3 5 0 2 2 3 3 4
34 4 -7 -4 70 1 -3 2 -5 -2
Tetrapropylammonium
h
k
1
28
10 5 3 3 7 9 8 6 3 4 9 6 9 7
2 0 6 5 5 3 4 4 3 5 0 0 1 5
0 6 2 4 0 2 2 4 6 4 4 6 4 2
43.30 43.32 43.44 43.48 43.90 43.98 44.18 44.27 44.77 44.90 45.06 45.54 45.57 45.80
624
Ire1
Zeolites
d 2.090 2.089 2.083 2.081 2.062 2.059 2.050 2.046 2.024 2.019 2.012 1.992 1.991 1.981
16:323-802,
M 4 4 8 8 4 8 8 8 8 8 4 4 8 8
1996
1x1 0.2 0.8 1.7 0.3 0.9 1.1 0.5 0.3 0.7 0.4 1.1 0.9 1.0 0.7
h
k
11 4 8 1 5 5 1 6 9 4 2 9 6 11
1 3 3 7 6 5 4 6 2 6 4 4 2 1
1 0 6 4 0 2 4 6 0 4 3 6 2 6 2
1 1 1 4 4 3 3 3
SAPO-40
20
d
M
IreI
h
k
45.97 46.16 46.27 46.62 46.64 46.68 46.74 46.93 47.08 47.19 47.32 47.53 47.54 47.81
1.974 1.967 1.962 1.948 1.947 1.946 1.944 1.936 1.930 1.926 1.921 1.913 1.912 1.902
4 8 8 4 8 8 8 4 8 8 8 8 8 8
0.6 0.3 0.3 0.9 0.3 1.0 0.5 0.4 1.2 0.1 0.6 0.1 0.8 0.2
7 0 7 6 6 3 10 11 4 8 12 11 3 6
0 7 1 6 5 6 1 2 4 4 0 3 7 3
1 6 2 6 2 4 4 4 2 6 4 0 0 2 6
28 48.06 48.25 48.55 48.74 48.78 49.02 49.22 49.26 49.59 49.69 49.87 49.89 49.93 49.96
0.2 1.8 1.5 0.2 2.6 0.2 0.1 0.7 0.3 0.4 3.0 0.1 0.6 0.3
BOG
Boggsite
h
k
1
28
d
6 4 7 0 0 8 2 5 8 5 7 4 6 4 1 7 3 7
4 10 1 11 0 6 8 25 3 92 3 5 9 9 3 6 6 8 7 9
4 0 4 1 6 0 4
41.77 41.95 42.31 42.37 42.37 42.38 42.44 42.47 43.11 43.25 43.72 43.97 44.09 44.09 44.20 44.20 44.20 44.26 44.30 44.68
2.162 2.153 2.136 2.133 2.133 2.133 2.130 2.128 2.098 2.092 2.071 2.059 2.054 2.054 2.049 2.049 2.049 2.047 2.045 2.028
0
1
3 4 5 1 3 6 3 5 1
5 4
M Ire1 8 4 8 4 2 4 8 8 8 8 8 8 8 8 8 8 8 8 4 8
0.2 0.2 0.6 3.8 0.3 0.8 0.6 0.2 1.6 0.2 0.5 0.4 0.1 0.8 0.9 0.1 3.0 0.1 0.4 0.5
h 5 10 8 5 0 8 2 10 10 3 8 0 8 6 3 3 8 3 1 2
k
1
10 1 0 0 6 2 7 4 4 6 7 1 7 5 2 0 1 1 10 3 0 4 12 0 5 3 3 5 3 6 11 2 2 4 9 4 12 1 12 0
28
d
44.74 44.79 44.79 44.89 45.16 45.24 45.24 45.46 45.54 45.68 45.72 45.75 45.86 45.96 46.07 46.30 46.39 46.55 46.56 46.67
2.026 2.024 2.023 2.019 2.008 2.004 2.004 1.995 1.992 1.986 1.984 1.983 1.979 1.975 1.970 1.961 1.957 1.951 1.951 1.946
M Ire1 8 2 8 8 4 8 8 4 8 8 4 2 8 8 8 8 8 8 8 4
0.4 8.6 0.2 0.2 1.5 0.1 0.2 0.7 1.2 0.2 8.1 2.1 2.4 0.1 0.6 0.4 0.6 7.7 0.6 0.4
h
k
1
28
d
10 0 10 10 0 5 0 8 3 0 2 3 7 2 2 10 5 10 8 5
3 11 0 4 10 6 12 4 12 6 10 5 8 12 6 5 3 4 7 11
1 3 2 0 4 5 2 4 1 6 4 6 3 2 6 1 6 2 3 2
46.87 47.10 47.10 47.46 47.62 47.90 48.03 48.35 48.36 48.46 48.52 48.69 48.84 48.92 49.34 49.46 49.66 49.67 49.75 49.87
1.938 1.930 1.929 1.916 1.909 1.899 1.894 1.882 1.882 1.879 1.876 1.870 1.865 1.862 1.847 1.843 1.836 1.835 1.833 1.828
8 4 4 4 4 8 4 8 8 4 8 8 8 8 8 8 8 8 8 8
0.3 0.1 0.2 0.1 0.3 0.4 1.6 0.6 0.1 1.4 0.2 1.8 0.3 1.2 0.1 0.6 1.0 0.9 0.2 0.4
BRE
Brewsterite
h
k
1 0 0 2 2 0 -2 3
5 3 6 3 0 4 7 1 2 3 1 4 4 3 4 1
1
20
d
46.51 46.95 46.99 47.10 47.11 47.29 47.35 47.59
1.953 1.935 1.934 1.929 1.929 1.922 1.920 1.911
M
4 4 2 4 4 4 4 4
Ire1
14.9 1.8 1.1
2.4 2.0 0.6 1.8 0.1
h
k
1
20
0 -3 -1 3 0 0 3 2
8 3 0 5 9 2 0 6
2 2 4 0 1 4 2 2
47.61 47.61 47.89 47.89 48.06 48.19 48.26 48.40
d 1.910 1.910 1.899 1.899 1.893 1.888 1.886 1.881
hf
Ire1
hkl
4 4 2 4 4 4 2 4
0.2 0.8 4.8 2.6 6.0 0.3 3.2 0.5
3 -3 -1 -1
1 5 8 2
2 1 2 4
3
2
2
2 0 -3
8 3 4
0 4 2
28
d
hJ
Ire1
48.56 48.59 49.04 49.07 49.44 49.46 49.65 49.67
1.875 1.874 1.857 1.857 1.844 1.843 1.836 1.836
4 4 4 4 4 4 4 4
0.5 0.2 1.4 5.5 1.5 2.5 4.2 1.0
Zeolites
16:323-602,
1996
625
Decamethonium
hk
28
d
hJ
IreI
hk
42.59 42.71 42.79 43.03 44.66 44.85 45.17 45.42 46.02
2.122 2.117 2.113 2.102 2.029 2.021 2.007 1.997 1.972
24 12 12 24 12 24 12 24 2
0.3 0.2 0.4 0.3 0.2 0.6 0.6 0.5 0.1
1 0 65 913 73 83 60 62 80 2 1
1
64 2 0 80 82 910 73 74 61 0 0
3 10 5 1 4 0 8 11
EMT 128 4 1 0
5 2 9 8 7 11
Partially
hk 5 7 1
1 11 3
3 5 15
d 48.21 48.41 48.52
hJ 24 24 12
1.888 1.880 1.876
EUO
5 4 5
1 3 0
Calcined,
1
29
d
hf
Ire1
h
k
1
2 2 5 3 4 6 0 3 4 2 2 1 5 1 6 2 2 0 3 4 5
4 8 3 9 2 0 8 5 6 0 10 3 5 7 4 10 2 6 9 8 3
8 5 5 1 7 3 6 7 5 9 0 9 4 7 0 1 9 8 3 3 6
41.44 41.49 41.66 41.68 41.75 41.79 42.07 42.24 42.29 42.42 42.59 42.63 42.67 42.80 42.80 42.84 43.23 43.34 43.65 43.97 44.36
2.179 2.176 2.168 2.167 2.163 2.161 2.148 2.139 2.137 2.131 2.123 2.121 2.119 2.113 2.113 2.111 2.093 2.088 2.074 2.059 2.042
8 8 8 8 8 4 4 8 8 4 4 8 8 8 4 8 8 4 8 8 8
0.8 0.3 0.2 0.7 0.2 0.7 0.3 1.5 0.6 0.2 1.4 0.4 0.5 0.5 1.8 0.2 0.3 0.3 0.1 0.1 0.5
5 5 0 0 3 3 2 6 0 5 1 1 1 1 2 0 6 3 7 3 2
7 5 0 8 1 9 6 0 2 7 5 9 11 7 10 10 6 3 1 7 0
2 5 10 7 9 4 8 5 10 3 9 6 2 8 4 5 0 9 1 7 10
16:323-802,
1996
hf
Ire1
hk
12 24 24 24 23 12 214 12 24
0.2 0.1 0.2 0.3 0.1 0.1 0.5 0.1 0.7
65 83 66 3 1 83 92 84 ‘4 0
d 48.81 48.85 49.00
1.866 1.864 1.859
28
d
44.52 44.85 44.92 45.22 45.24 45.32 45.41 45.66 45.69 45.70 45.77 45.94 46.10 46.37 46.41 46.48 46.68 46.76 46.83 46.92 46.94
2.035 2.021 2.018 2.005 2.004 2.001 1.997 1.987 1.986 1.985 1.982 1.975 1.969 1.958 1.956 1.954 1.946 1.943 1.940 1.937 1.935
1 4 3 0 11 3 3 0 11
20
d
hf
Ire.1
47.86 47.97 48.90 49.22 49.32 49.42 49.86 49.94
1.900 1.897 1.863 1.851 1.848 1.844 1.829 1.826
24 24 6 24 24 24 12 12
0.1 0.1 0.1 0.2 0.3 0.3 0.2 0.1
EMC-2
hf 24 24 12
rehydrated,
k
Zeolites
d 1.962 1.954 1.954 1.946 1.934 1.931 1.908 1.907 1.904
128 11 10 12
h
626
20 46.27 46.48 46.48 46.67 46.99 47.06 47.67 37.68 47.76
dehydrated
hk
Ire1 0.2 0.1 0.1
DAF-1
Ird 0.3 0.1 0.1
hkl 4 7
4 0
8 8
28
d
49.20 49.59
1.852 1.838
Aff 12 12
28
d
hf
Ire,
47.25 47.31 47.34 47.40 47.40 47.65 47.70 47.94 47.95 48.45 48.64 48.66 48.69 48.89 48.91 49.18 49.28 49.34 49.57 49.69 49.80
1.924 1.921 1.920 1.918 1.918 1.908 1.907 1.898 1.897 1.879 1.872 1.871 1.870 1.863 1.862 1.853 1.849 1.847 1.839 1.835 1.831
8 8 4 8 8 8 8 4 8 8 8 4 4 8 8 4 8 8 8 8 8
0.3 1.2 0.1 0.3 0.7 2.7 0.1 0.1 0.5 0.8 0.3 2.9 0.3 0.1 0.3 0.1 0.1 1.9 0.3 1.2 0.5
IreI 0.1 0.2
EU-1
h 8 8 2 4 8 8 8 4 4 8 8 8 8 8 8 4 4 8 8 8 4
0.3 0.4 0.8 0.3 1.3 1.8 0.7 1.3 0.3 0.1 0.8 0.4 0.3 0.5 0.3 0.2 4.0 0.1 0.6 0.1 0.3
k
1
1 11 5 7 0 6 5 5 3 9 4 4 1 8 0 4 4 6 2 10 6 4 0 8 4 10 1 9 4 10 0 12 5 1 3 11 4 10 3 5 5 9
3 4 9 6 5 8 5 10 7 5 5 8 0 7 1 1 8 1 2 9 1
GIS
Gismondine
h
k
1
26
d
M
Ire1
h
k
1
26’
d
M
IreI
h
1 2 5 47.58 1.911 4 2 -4 3 47.59 1.911 4 4 3 1 47.63 1.909 4 2 1 5 47.68 1.907 4 3 -4 2 47.95 1.897 4 2 3 4 47.99 1.896 4 3 2 4 48.15 1.890 4
1.0 2.7 2.3 0.4 2.2 0.2 0.1
4 5 2 0 2 1 2
-3 1 -5 5 4 -5 -5
2 1 0 2 3 2 1
48.19 48.30 48.34 48.59 48.84 49.13 49.14
1.888 1.884 1.883 1.874 1.865 1.854 1.854
4 4 2 4 4 4 4
0.2 3.1 0.1 0.4 0.6 6.5 2.3
4 2 3 5 0 2 1 5 2 2 -2 5 5 -1 2
k
1
28
d
M
Ire,
49.24 49.42 49.90 49.92 49.92
1.851 1.844 1.827 1.827 1.827
4 4 4 4 4
4.6 0.1 0.4 0.3 4.1
GO0
Goosecreekite
hkl
-2 -2 2 3 1 -3 2
28
7 5 7 4 7 6 5
2 3 1 1 2 1 2
47.98 48.08 48.26 48.29 48.42 48.48 48.53
d
1.896 1.893 1.886 1.885 1.880 1.878 1.876
M Ire1
h
k
1
28
4 4 4 4 4 4 4
1 0 -2 -1 2 -1 0
9 9 8 6 8 8 8
0 1 1 3 0 2 2
48.69 48.75 48.88 48.90 48.97 49.04 49.18
0.8 1.4 0.3 3.2 0.4 0.3 1.5
d
1.870 1.868 1.863 1.862 1.860 1.858 1.852
M
4 4 4 4 4 4 4
IreI
h
k
1
28
d
0.4 1.7 0.9 1.1 0.4 2.6 0.5
-4 -3 3 -4 -1
0 3 6 1 9
1 3 0 1 1
49.25 49.33 49.53 49.55 49.56
1.850 1.847 1.841 1.840 1.839
M
2 4 4 4 4
Ire,
10.4 0.4 6.0 0.5 1.4
HEU
Heulandite
h
k
1
28
d
-8 -5 -1 -8 4 6 -9 8 2 -8
4 7 5 4 8 4 1 2 0 2
1 2 3 2 0 1 2 0 3 3
46.03 46.06 46.14 46.18 46.40 46.50 46.53 46.58 46.89 47.05
1.972 1.971 1.967 1.966 1.957 1.953 1.952 1.950 1.938 1.931
M
Ire1
h
k
1
28
4 4 4 4 4 4 4 4 2 4
4.4 0.4 4.3 1.1 0.2 2.6 7.1 0.5 0.6 1.2
-9 -1 -2 5 7 2 -2 -3 -4 3
1 9 8 1 1 2 6 9 8 9
1 1 2 2 1 3 3 1 2 0
47.14 47.16 47.31 47.46 47.67 48.03 48.12 48.54 48.62 48.73
d
1.928 1.927 1.921 1.916 1.908 1.894 1.891 1.876 1.873 1.868
M
Ire1
h
k
1
28
d
4 4 4 4 4 4 4 4 4 4
0.2 1.3 2.1 0.8 0.5 0.5 0.3 0.2 1.1 2.1
-9 -4 -5 5 -3 -7 7 8
3 0 1 3 1 5 3 4
2 4 4 2 4 3 1 0
48.81 49.05 49.55 49.71 49.80 49.86 49.91 49.98
1.866 1.857 1.840 1.834 1.831 1.829 1.827 1.825
Zeolites
M
Ire1
4 2 4 4 4 4 4 4
0.5 1.2 2.0 0.7 5.0 2.0 0.3 0.2
16:323-802,
1996
627
CIinot3tiIoIite
h
k
1
20
-8 -1 -9 6 8 -8 -1
4 5 1 4 2 2 9
2 3 2 1 0 3 1
46.38 46.38 46.77 46.97 47.06 47.16 47.30
d 1.958 1.957 1.942 1.934 1.931 1.927 1.922
M
Ire1
4 4 4 4 4 4 4
1.2 4.5 2.6 2.2 0.2 0.8 0.6
LAU
2 -2 5 -4 7 -2 2
0 8 1 6 1 6 2
3 2 2 3 1 3 3
Cobalt
h
k
-2 2 4 -7 -2 -6 6 -6 -5 7 -5 -6 -4 2 -6 4 0
4 0 2 1 6 4 0 4 5 1 5 4 4 6 4 4 2
628
hkl
1 6 6 4 5 3 2 2 3 2 0 1 1 6 2 4 3 7
Zeolites
28 45.01 45.02 45.02 45.22 45.28 45.45 45.46 45.64 45.71 46.09 46.10 46.21 46.50 46.54 46.77 46.78 47.04
d 2.014 2.014 2.014 2.005 2.003 1.996 1.995 1.988 1.985 1.969 1.969 1.965 1.953 1.951 1.942 1.942 1.932
16:323-802,
M
Ire1
4 2 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4
0.9 1.6 1.5 0.9 0.1 0.3 2.8 0.2 1.8 1.2 0.5 0.8 1.2 1.7 0.8 0.9 0.3
1996
h
k
-7 3 2 -7 0 5 6 -7 -2 -7 6 -4 -4 -2 -3 -7 1
3 5 2 3 4 5 2 3 6 1 4 6 6 0 1 3 1
28
d
47.35 47.46 48.02 48.05 48.23 48.32 48.49
1.920 1.916 1.894 1.893 1.887 1.884 1.877
M Ire1 2 4 4 4 4 4 4
0.4 1.3 0.8 0.1 0.1 0.3 0.6
20
d
M
Ire1
-4 3 -9 0 -4 -5 -7
hkl 8 9 3 8 0 1 5
2 0 2 2 4 4 3
48.74 48.92 49.06 49.09 49.22 49.69 49.97
1.868 1.862 1.857 1.856 1.851 1.835 1.825
4 4 4 4 2 4 4
0.5 1.2 0.6 0.1 0.7 1.0 0.8
h
k
1
28
d
M
Ire1
5 -8 0 -1 -8 4 5 -5 -6 -7 2 1 5 -1 -1
3 0 6 7 0 6 1 3 2 3 6 7 5 7 1
3 4 4 1 2 0 4 7 7 5 3 1 1 2 8
48.40 48.75 48.76 48.85 48.87 48.97 49.15 49.16 49.26 49.47 49.53 49.54 49.62 49.85 49.98
1.880 1.868 1.867 1.864 1.864 1.860 1.854 1.853 1.850 1.842 1.840 1.840 1.837 1.829 1.825
4 2 4 4 2 4 4 4 4 4 4 4 4 4 4
0.6 0.2 1.0 0.7 0.5 0.4 0.4 0.5 0.2 0.3 0.6 0.4 0.2 1.0 0.1
gallophosphate
1 3 3 6 2 6 0 2 4 4 6 0 2 1 8 8 1 7
26 47.07 47.17 47.19 47.24 47.40 47.43 47.61 47.82 47.84 47.86 47.88 48.00 48.03 48.09 48.16 48.33 48.40
d 1.931 1.927 1.926 1.924 1.918 1.917 1.910 1.902 1.901 1.900 1.900 1.895 1.894 1.892 1.889 1.883 1.881
M
Ire1
4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4
0.2 0.2 1.9 0.4 0.3 0.4 0.1 1.4 1.2 0.4 2.9 0.1 0.8 0.6 2.5 0.2 1.0
LOV
Lovdarite
h
k
1
26
d
5 14 17 10 18 15 18 14 7 6 8 7 11 9 10 16 15 15 16 18
3 1 1 2 0 2 1 2 1 3 1 3 2 3 0 0 1 2 2 1
1 2 1 2 1 0 0 1 3 1 3 1 2 0 3 2 2 1 0 1
42.68 42.81 42.89 42.93 43.04 43.09 43.17 43.19 43.20 43.38 44.14 44.20 44.25 44.29 44.36 44.54 44.64 45.00 45.03 45.08
2.118 2.112 2.109 2.107 2.102 2.099 2.096 2.095 2.094 2.086 2.051 2.049 2.047 2.045 2.042 2.034 2.030 2.014 2.013 2.011
M
8 8 8 8 4 4 4 8 8 8 8 8 8 4 4 4 8 8 4 8
IreI
hkl
4.2 4.6 0.1 0.4 0.7 2.9 0.1 4.0 3.3 3.1 0.4 3.0 2.6 1.8 2.5 1.5 8.2 3.4 1.0 3.4
8 9 19 12 20 9 1 10 2 3 0 1 16 2 13 4 10 19 3 11
3 1 1 2 0 3 2 1 2 2 3 3 2 3 2 2 3 1 3 1
1 3 0 2 0 1 3 3 3 3 2 2 1 2 2 3 1 1 2 3
20
d
45.13 45.20 45.47 45.67 45.86 46.16 46.28 46.35 46.46 46.76 46.81 46.87 46.88 47.05 47.17 47.17 47.30 47.31 47.35 47.60
2.009 2.006 1.995 1.987 1.979 1.966 1.962 1.959 1.955 1.943 1.941 1.938 1.938 1.931 1.927 1.927 1.922 1.921 1.920 1.910
M
8 8 4 8 2 8 8 8 8 8 4 8 8 8 8 8 8 8 8 8
I rel
h
k
1
28
d
M
IreI
3.8 1.4 0.1 0.6 6.1 1.4 1.5 3.1 0.3 0.6 2.5 0.5 5.1 0.1 0.5 11.7 1.2 0.4 2.4 1.5
20 5 4 20 12 5 6 17 11 18 14 17 6 12 18 7 13 20 12 8
0 2 3 1 3 3 2 1 3 0 2 2 3 1 2 2 3 1 3 2
1 3 2 0 0 2 3 2 1 2 2 1 2 3 0 3 0 1 1 3
47.68 47.70 47.76 47.80 48.08 48.29 48.35 48.47 48.53 48.61 48.75 48.82 48.92 48.94 49.07 49.10 49.53 49.57 49.85 49.96
1.907 1.906 1.904 1.903 1.892 1.885 1.883 1.878 1.876 1.873 1.868 1.866 1.862 1.861 1.857 1.855 1.840 1.839 1.829 1.826
4 8 8 4 4 8 8 8 8 4 8 8 8 8 4 8 4 8 8 8
1.1 1.0 3.7 1.6 0.6 1.4 3.2 8.2 1.8 2.4 2.3 1.9 2.5 4.8 2.4 1.6 1.5 3.6 2.8 2.5
Zeolites
16:323-602.
1996
629
LTN h
k
14 15 15 14 14 9 11 15 14 14 I1 11 13 13 16 13 13 15 15 12 12 16 11 14 12 13 13 15 16 16 15 15 12 16 11 13 13 17 12
6 1 3 2 6 9 11 3 4 6 7 11 1 9 0 3 9 3 5 4 10 2 11 6 8 5 9 5 2 4 3 7 12 4 11 1 11 1 12
630
Synthetic
1 0 3 1 6 2 9 1 3 6 4 9 3 9 1 0 9 3 5 3 10 4 2 5 6 8 9 5 5 4 2 7 3 0 4 7 11 1 1 2
Zeolites
20
d
37.06 37.31 37.31 37.39 37.39 37.96 37.96 37.96 38.36 38.36 38.60 38.60 38.60 38.60 39.00 39.24 39.24 39.24 39.24 39.32 39.32 39.63 39.86 39.94 40.25 40.48 40.48 40.48 40.56 40.56 41.09 41.09 41.47 41.47 41.70 41.70 41.70 41.70 41.77
2.426 2.410 2.410 2.405 2.405 2.370 2.370 2.370 2.346 2.346 2.332 2.332 2.332 2.332 2.309 2.296 2.296 2.296 2.296 2.291 2.291 2.274 2.261 2.257 2.240 2.228 2.228 2.228 2.224 2.224 2.196 2.196 2.177 2.177 2.166 2.166 2.166 2.166 2.162
16:323-802,
AJ Ire1 12 24 24 24 24 8 24 24 24 24 24 24 24 24 6 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 12 24 24 24 24 24 24
1996
0.1 0.3 0.6 0.4 0.4 3.1 0.2 0.3 0.2 0.3 0.6 0.3 0.5 0.3 2.0 0.1 0.3 1.3 1.5 0.3 0.3 0.3 0.3 0.5 0.2 0.3 0.3 1.8 0.9 0.8 0.7 0.3 9.0 0.5 2.1 0.2 0.1 0.9 1.3
h
k
16 16 13 13 13 15 15 17 17 10 15 17 12 14 13 13 16 16 11 15 17 17 12 16 16 16 18 13 15 14 14 13 17 17 12 14 14 18 13
2 6 7 9 11 5 7 1 3 10 9 3 10 10 5 11 0 8 11 7 3 5 12 2 8 6 0 9 9 6 10 13 5 7 10 2 12 2 13
1 6 2 9 7 3 7 5 3 1 10 1 3 8 4 11 5 8 0 9 7 5 3 6 8 2 6 2 9 5 10 6 1 5 1 10 12 2 3 3
28 42.07 42.07 42.29 42.29 42.29 42.29 42.29 42.29 42.29 42.37 42.88 42.88 32.96 43.25 43.47 43.47 43.83 43.83 44.04 44.04 44.04 44.04 44.12 44.12 43.12 44.40 44.40 44.61 44.61 -14.69 44.69 35.18 45.18 45.18 45.53 45.53 45.53 45.53 45.74
NaZ-21
d
hf
IreI
2.148 2.148 2.137 2.137 2.137 2.137 2.137 2.137 2.137 2.133 2.109 2.109 2.105 2.092 2.082 2.082 2.066 2.066 2.056 2.056 2.056 2.056 2.053 2.053 2.053 2.040 2.040 2.031 2.031 2.028 2.028 2.007 2.007 2.007 1.992 1.992 1.992 1.992 1.984
24 24 24 24 24 24 24 24 24 8 24 24 24 24 24 24 12 12 24 24 23 24 24 24 24 24 12 23 24 24 24 24 24 24 24 24 24 24 24
0.3 0.4 0.7 0.3 0.3 0.3 0.2 0.5 0.3 0.4 0.3 2.2 0.6 0.2 0.4 0.4 0.7 0.2 1.0 0.6 2.1 1.3 0.5 0.1 0.2 0.8 0.4 0.9 0.2 0.4 0.5 0.6 0.1 0.2 0.2 0.3 0.5 0.2 0.4
h
k
1
15 17 12 15 15 18 16 18 11 13 19 18 18 15 15 17 19 19 16 16 14 14 18 18 17 17 13 17 14 15 15 15 18 16 16 20 15 20
1 7 12 7 9 4 2 0 11 13 1 2 6 5 11 9 1 3 4 10 6 12 4 6 3 9 1s 7 14 1 7 11 6 0 12 0 3 2
11 3 8 9 7 4 10 6 11 5 1 6 2 11 5 1 3 1 10 4 12 6 6 -1 9 3 7 7 0 13 11 7 6 12 0 0 13 2
20 45.74 45.74 46.09 46.29 46.29 46.36 46.64 46.64 46.84 46.84 46.84 46.91 46.91 37.39 47.39 47.39 47.39 47.39 47.46 47.46 -17.73 47.73 47.73 47.73 47.93 -47.93 48.46 48.46 48.80 48.99 38.99 48.99 49.06 49.32 49.32 49.32 49.52 49.85
d
hf
IreI
1.984 1.984 1.969 1.961 1.961 1.958 1.947 1.947 1.939 1.939 1.939 1.937 1.937 1.918 1.918 1.918 1.918 1.918 1.916 1.916 1.906 1.906 1.906 1.906 1.898 I.898 1.X78 1.878 1.866 1.859 1.859 1.859 1.857 1.847 1.847 1.847 1.841 1.829
24 24 24 24 24 24 24 12 8 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 12 24 24 24 24 12 12 6 24 24
0.4 0.2 0.2 0.2 0.1 0.4 0.2 0.2 0.1 0.3 0.8 0.1 0.2 0.2 0.4 0.2 0.2 0.2 0.6 0.7 0.2 0.5 0.4 0.4 0.4 0.1 0.1 0.2 2.7 0.4 0.4 0.4 0.9 0.8 0.6 0.6 0.2 0.2
Tetrapropylammonium
hkl 6 51 5 61 8 0 2 2 0 8 5 2 3 0 0 3 2 5 3 6 4 7 13 7 3 811 3 7 181 8 2 2 8 3 2 2 3 7 0 5 3 3 5 7 13 6 5 17 4 0 0 6 6 14 8 0 8 3 16 3 3 4 7 18 4 2 3 81 7 51 2 8
0 5 0 4 5 5 4 3 0 5 2 2 0 0 5 5 3 4 4 2 3 5 4 2 0 4 5 2 2 5
2
28
d
M
Ire1
h
k
1
20
d
35.75 35.79 35.88 35.88 36.11 36.13 36.16 36.19 36.20 36.34 36.34 36.48 36.76 36.81 36.90 37.03 37.04 37.25 37.31 37.32 37.35 37.56 37.62 37.63 37.66 37.79 38.13 38.21 38.36 38.40 38.44 38.48 38.70 38.84 38.89 39.23 39.23 39.37 39.69
2.512 2.509 2.503 2.503 2.487 2.486 2.484 2.482 2.481 2.472 2.472 2.463 2.445 2.442 2.436 2.428 2.427 2.414 2.410 2.409 2.408 2.394 2.391 2.390 2.389 2.380 2.360 2.355 2.346 2.344 2.342 2.339 2.326 2.319 2.316 2.297 2.296 2.288 2.271
8 8 2 8 2 8 4 4 8 8 4 8 8 8 8 8 4 4 8 8 4 8 8 8 8 8 4 4 8 4 4 8 8 8 8 8 8 8 8
0.4 0.5 2.6 0.1 1.9 0.4 1.9 2.1 1.0 0.6 0.9 0.3 0.4 0.9 0.2 0.2 1.0 0.5 0.4 0.2 2.7 0.8 2.3 0.2 2.1 1.6 0.2 0.2 0.2 0.9 0.3 0.2 0.2 1.6 0.2 0.2 0.4 0.3 0.3
0 6 5 0 10 15 4 7 5 7 8 191 12 5 17 7 2 9 3 316 13 8 6 5 9 8 7 3 9 3 7 6 5 8 5 9 8 10 8
0 3 0 5
6 4 5 5 6 5
40.44 40.53 40.54 40.62 40.70 40.88 41.08 41.14 41.21 41.54 41.62 41.65 41.74 41.87 41.95 42.56 42.70 42.84 42.91 43.00 43.02 43.23 43.33 43.35 43.43 43.66 43.82 43.82 43.84 43.94 43.95 43.98 44.61 44.87 44.99 45.07 45.25 45.29 45.40
2.231 2.226 2.225 2.221 2.217 2.207 2.197 2.194 2.190 2.174 2.170 2.169 2.164 2.158 2.154 2.124 2.117 2.111 2.107 2.104 2.102 2.093 2.088 2.087 2.084 2.073 2.066 2.066 2.065 2.060 2.060 2.059 2.031 2.020 2.015 2.012 2.004 2.002 1.998
81 5 2 7 2 0 4 13 5 2 7 0 5
6 4 4 4 4 2 5 6
51 0 81 31 3 3 8 2 7 5 7 4 5 8 3 0 0 6
5 3 4 3 2 4 3 2 5 2 2 2 4 0 0
MFI
ZSM-5
M
2 8 4 4 4 8 8 8 8 4 8 8 8 8 8 8 8 4 8 8 8 8 4 8 8 8 8 8 8 8 8 8 8 8 8 8 4 2 4
Ire1
0.6 0.5 0.1 0.3 0.4 0.2 1.3 0.3 0.1 0.2 0.3 0.2 0.4 0.4 0.2 0.4 0.1 0.3 0.6 0.8 0.2 0.2 0.5 0.2 0.3 1.5 0.2 0.5 0.4 0.4 0.3 0.3 0.1 0.2 0.1 0.1 5.7 5.8 0.1
h
k
1
0 7 4 0 3 1 10 8 10 1 2 2 4 1 10 10 8 3 5 0 9 0 3 2 7 2 2 5 3 8 8 7 10 3 0 1 8
8 71 8 10 6 8 1 2 2 10 8 10 3 7 0 3 5 8 8 10 3 17 10 0 3 10 17 3 5 71 4 81 4 0 3 3 0
4
20
45.44 45.49 3 45.51 0 45.59 5 45.63 4 45.67 1 46.06 4 46.21 0 46.25 1 46.35 4 46.38 0 46.53 6 46.63 5 46.84 2 47.39 0 47.43 3 47.51 4 47.54 3 47.62 2 47.68 3 47.69 47.79 1 48.20 7 48.47 5 48.56 2 48.59 48.70 6 48.70 6 48.75 48.96 4 49.00 49.01 0 49.04 7 49.60 7 49.62 7 49.85 5 49.88
Zeolites
d 1.996 1.994 1.993 1.990 1.988 1.986 1.970 1.965 1.963 1.959 1.958 1.952 1.948 1.940 1.918 1.917 1.914 1.913 1.910 1.907 1.907 1.903 1.888 1.878 1.875 1.874 1.870 1.870 1.868 1.860 1.859 1.859 1.857 1.838 1.837 1.829 1.828
16:323-802,
M Ire1 4 8 8 2 8 8 8 8 4 8 8 4 8 8 4 4 8 8 8 4 8 4 8 4 8 8 8 8 8 8 8 8 4 4 4 8 4
1996
2.6 0.3 3.2 7.5 0.1 2.4 0.2 0.2 0.3 0.6 0.7 0.4 2.9 0.3 0.1 0.1 1.6 1.2 0.4 0.6 1.9 0.1 0.2 0.1 0.1 0.5 0.2 1.8 3.4 0.2 0.3 0.5 0.1 0.7 0.7 0.3 0.6
631
MFI h -1 1 -5 -3 0 3 -3 -1 3 -5 -1 1 -6 0 -5 -3 -6 0 -3 0 3 -3 -1 181 3 2 -3 0 -3 -5 -5 -7
632
Calcined
1
20
d
1 5 7 2 5 2 7 1 2 5 7 1 4 4 2 5 4 4 1 4 5 4 5 4 5 1 8 0 2 4 0 5 3 3 3 5 1 5 81 0 5 7 2 8 1
34.08 34.30 34.34 34.66 34.72 34.72 34.84 34.97 35.09 35.16 35.17 35.25 35.69 35.72 36.03 36.08 36.17 36.17 36.36 36.37 36.38 36.59 36.65 36.67 36.71 36.89 37.21 37.24 37.41 37.44 37.50 37.63
2.631 2.614 2.612 2.588 2.584 2.583 2.575 2.566 2.557 2.552 2.552 2.546 2.516 2.513 2.493 2.489 2.483 2.483 2.471 2.470 2.469 2.456 2.452 2.451 2.448 2.437 2.416 2.414 2.404 2.402 2.399 2.391
k
7 8 2 7 5 3 6 1
2 0 5 3 4 4 2 3
Zeolites
16:323-802,
M Irei 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 2 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4
1996
0.2 0.1 1.6 0.9 0.3 0.3 0.3 0.1 0.2 0.6 0.9 0.1 0.2 1.6 0.2 0.3 0.1 1.4 0.6 0.1 0.4 0.1 0.3 0.2 0.4 0.4 0.1 1.3 0.3 0.5 0.8 0.9
ZSM-5
h
k
1
28
d
M
&I
h
k
3 0 3 -7 3 -8 2 0 0 -8 -7 0 -5 1 2 -5 1 2 -5 -1 1 3 -3 0 -3 3 -3 2 3 0 0 3
5 8 8 4 8 3 4 0 16 4 5 7 2 8 0 5 2 7 3 3 3 16 9 6 8 8 7 9 7 10 8 3
4 2 0 2 1 1 5 6
37.65 38.26 38.30 38.70 38.94 39.18 39.32 40.49 40.74 41.01 41.06 41.45 41.46 41.53 41.65 41.67 41.83 42.55 42.72 42.97 43.07 43.23 43.24 43.29 43.46 43.62 43.64 43.71 43.85 45.09 45.14 45.16
2.389 2.353 2.350 2.327 2.313 2.299 2.291 2.228 2.214 2.201 2.198 2.178 2.178 2.175 2.169 2.167 2.160 2.124 2.117 2.105 2.100 2.093 2.092 2.090 2.082 2.075 2.074 2.071 2.065 2.011 2.009 2.008
4 4 4 4 4 4 4 2 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4
0.7 0.2 0.2 0.4 0.1 0.1 0.3 0.3 0.3 0.2 0.2 0.7 0.1 0.2 0.2 0.1 0.1 0.3 0.1 0.4 0.1 0.2 0.2 0.3 0.3 0.4 0.3 0.3 0.1 3.2 3.4 0.3
-8 -8 -6 -8 -2 2 -8 - .lO -3 -7 3 -5 -8 -8 -3 10 3 -1 - .lO 0 -5 -3 3 -1 -4 -8 0 -3 0 -3 -2 -1
0 4 3 1 8 10 2 1 4 1 4 8 3 5 9 0 9 0 2 2 3 5 7 2 8 7 9 0 3 1 9 8
1 2 4 5 3 6 4 6 4 5 6 6 1 5 3 3 4 2 4 0 4 6
1 4 3 5 4 4 0 4 1 6 5 6 3 4 3 3 2 3 7 2 7 6 6 5 7 4 1 4 7 7 7 4 5
2t)
d
M
&I
45.22 45.32 45.40 45.45 46.03 46.05 46.16 46.32 46.50 46.60 46.80 47.28 47.32 47.42 47.48 47.57 47.62 47.79 48.48 48.52 48.54 48.56 48.62 48.70 48.78 48.88 49.05 49.52 49.64 49.74 49.89 49.98
2.005 2.001 1.997 1.995 1.972 1.971 1.966 1.960 1.953 1.949 1.941 1.922 1.921 1.917 1.915 1.911 1.909 1.903 1.878 1.876 1.875 1.875 1.872 1.870 1.867 1.863 1.857 1.841 1.837 1.833 1.828 1.825
2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 2 4 4 4 4 4 4 4 4 4 2 4 4 3 4
0.9 1.1 0.1 0.2 0.4 0.2 0.1 0.2 1.4 0.1 0.8 0.8 0.3 0.1 0.6 0.2 0.8 0.1 0.1 0.3 1.4 0.2 0.1 0.1 0.1 0.1 0.1 0.1 0.3 0.2 0.1 0.2
Ammonium
hlc -3 019 0 317 -3 12 -1 11 -1 -4 32 -3 50 02 32 -3 510 51 -5 12 22 -2 41 219
1 0
8
0
10
1
7 5 5 9 9 5 1 1 4 6 2 2
2 1 1 2
2
1 1 6 5 5 6
1
2
28
d
M
Ire1
41.52 41.84 41.98 42.15 42.25 42.43 42.45 42.64 42.68 42.72 43.71 43.72 43.98 44.00 44.34 44.36 44.52 44.72 44.74 44.78 44.81 44.85 44.96 45.00
2.175 2.159 2.152 2.144 2.139 2.130 2.129 2.120 2.119 2.117 2.071 2.070 2.059 2.058 2.043 2.042 2.035 2.026 2.026 2.024 2.023 2.021 2.016 2.014
2 4 2 4 4 4 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4
0.4 0.3 0.8 0.5 0.4 0.3 0.2 0.4 0.6 0.5 1.1 1.9 0.1 3.2 0.8 1.0 3.0 0.2 0.2 0.2 1.5 1.2 3.2 0.6
hk 30 -4 -2 2 -2 512 -5 32 -3 -3 50 0 -5 513 -5 1 -1 32 -3 22 -2 12 417 -4
fluoride
1 1 1 0 0 1 2 1 1 0 1 1 1 2 2
1
9 6 9 10 10 2 3 3 8 5 10 5 3 10 10 4 4 6 6 7 7
28
d
45.06 45.06 45.08 45.13 45.22 45.33 45.37 45.37 45.41 45.44 45.85 45.87 45.95 46.35 46.41 46.61 46.65 46.80 46.85 47.06 47.11 47.43 47.60 47.71
2.012 2.012 2.011 2.009 2.005 2.001 1.999 1.999 1.997 1.996 1.979 1.978 1.975 1.959 1.957 1.948 1.947 1.941 1.939 1.931 1.929 1.917 1.910 1.906
Calcined
hlc -10 914 -1 11 62 -11 -8 -8
1 0 1 1 1 2 2
10 11 0 3 7 1 4
28 45.69 45.72 45.79 45.87 46.30 46.42 46.88 47.01
d 1.986 1.984 1.981 1.978 1.961 1.956 1.938 1.933
M Ire1 2 4 4 4 4 4 4 4
0.4 1.3 0.1 0.7 0.5 0.5 0.8 1.8
hk -2 -12 11 -9 -4 82 3 62
1 2 0 1 1 2 1
8 8 1 10 8 0 10 4
28 47.02 47.17 47.19 47.28 47.36 47.53 47.72 48.13
MTT
ZSM-23
M Ini 2 4 4 2 2 4 4 4 4 4 2 4 2 4 4 4 4 4 4 4 4 4 4 4
0.2 0.6 0.8 1.4 1.7 0.1 0.4 0.2 0.4 0.5 1.0 0.8 0.9 0.1 0.2 0.5 1.0 1.3 1.1 0.1 0.3 0.3 0.9 0.4
hk 514 -5 50 -5 32 -3 319 42 -3 -2 42 -4 60 2 -2 -5 42 -4 02 -2 60 -6
1 1
47.74 47.82 48.05 48.17 48.58 48.64 48.75 48.84 48.86 48.90 49.03 49.04 49.12 49.34 49.42 49.59 49.60 49.63 49.65 49.67 49.87 49.91
4 6 6 5 5
0 2
0 9 10 1 1 0 11 11 5 2 2 8 7 2 2
1 1 2 0 0 1 2 2 0
d
28
1.905 1.902 1.893 1.889 1.874 1.872 1.868 1.865 1.864 1.862 1.858 1.857 1.855 1.847 1.844 1.838 1.838 1.837 1.836 1.836 1.829 1.827
4 4 2 2 4 4 4 4 4 4 4 4 2 2 2 4 4 4 4 4 2 2
0.6 0.5 2.3 2.4 1.8 1.2 0.5 0.7 0.6 0.1 0.4 0.4 0.3 3.5 3.1 0.2 0.4 0.3 1.1 1.0 0.9 0.9
MTW
ZSM-12 d 1.933 1.927 1.926 1.922 1.919 1.913 1.906 1.890
M Ire1 4 2 4 4 4 4 4 4
0.6 0.2 0.2 0.8 0.1 0.5 1.0 1.2
hk 915 42 519 12 -1 - .ll 82 -9
1 6 0 1 1 1
2 12 9 2 11
Zeolites
28 48.21 48.28 48.62 49.13 49.63 49.64 49.82 49.93
16:323-602,
d 1.888 1.885 1.873 1.854 1.837 1.836 1.830 1.827
M Ire1 4 4 4 2 4 4 4 4
1996
0.1 0.1 0.2 0.1 0.9 0.5 0.2 0.4
633
NAT h
k
2 4 7 6 3 5 4 9 1 8 3
1
22 26 17 14 9 23 20 3 13 16 11
2 0 I 2 3 1 2 1 3 0 3
28
d
Al
45.91 46.09 46.11 46.36 46.48 46.48 46.79 46.79 46.83 47.11 47.64
1.976 1.969 1.969 1.958 1.954 1.954 1.942 1.942 1.940 1.929 1.909
8 4 8 8 8 8 8 8 8 4 8
Ire,
h
k
1
28
d
nr
Ire,
h
k
0.7 0.5 0.3 1.4 5.8 0.8 1.3 2.1 0.9 0.1 1.8
3 7 1 8 2 6 5 8 9 1 3
27 19 15 2 24 24 3 4 91 29 13
1 1 3 2 2 0 3 2
47.88 48.19 48.44 48.48 48.57 48.67 48.76 48.81 48.85 48.90 49.00
1.900 1.888 1.879 1.878 1.874 1.871 1.867 1.866 1.864 1.862 1.859
8
1.8 0.3 2.2 0.1 1.0 0.4 4.5 1.6 1.7 0.2 0.2
8 4 5 5 2 8 10 5 9 10
18 28 5 25 30 6 2 7 11 4
h
k
1
28
-4 -7 -2 1 -I 7 -1 0 -5 -3 -7 -4 -7 -2 -1 -5 -1 1 -3 3 -2 -1 0 -7 -7 -6 -3 -5 -1 -7 -2 -4 1 -6
9 0 10 10 6 9 0 7 10 3 3 3 11 11 8 5 11 3 6 11 8 7 4 1 1 4 11 8 11 5 11 5 11 7
5 12 1 1 9 5 6 10 6 11 11 10 3 3 9 7 0 10 0 2 6 5 10 13 13 10 5 10 4 11 1 11 1 11
2 -5
3 7
-<‘3 3
5 4
45.26 45.27 45.29 45.31 45.32 45.37 45.47 45.98 46.00 46.02 46.26 46.39 46.41 46.43 46.43 46.57 46.58 46.67 46.74 47.16 47.38 47.45 47.69 47.72 47.81 47.97 48.74 48.75 48.95 48.97 49.18 49.20 49.20 49.51 49.55 49.58 49.59 49.62
1 3
NES h
k
1
28
5 8 3 6 0 6 1 6 6 2 4 9 9 8 6 4 8 1 8 4 7
8
34.93
634
0 0 3 1 0 2 0 3 1 0
28
d
49.05 49.19 49.21 49.22 49.25 49.38 49.64 49.88 49.97 49.97
1.857 1.852 1.851 1.851 1.850 1.846 1.837 1.828 1.825 1.825
hf
Ire1
4
0.9 0.2 1.1 0.6 5.5 2.5 0.2 2.4 0.1 0.1
4 8 8 4 8 4 8 8 4
NU-87
-4 -2 2 2 -5 -4 -5 -3 1 -5 2 -1 0 -3 -4 -5 -3 -5 -1 -1 -4 01 18 -4 0 -4 -3 -3 2 -1 -4 0 -5 0 3 -6 3 -2
7 2 5 8 5 5 7 2 9 3 3 0 2 1 2
8 8 8 8 4 8 8 8 8 8
1
4 1 0 10 5 10 2 2 10 1 1 1 5 8 6 4 5 4 6 6 5 1 7 5 9 6 1 1 5 10 2 5 5 0 8 0 8
35.13 35.18 35.64 35.79 35.83 36.02 36.34 36.41 36.71 36.80 36.92 36.93 37.37 37.47 37.51 37.56 37.59 37.62 37.71 37.74 37.80 37.93 38.27 38.46 38.65 38.73 38.76 38.80 38.88 39.16 39.24 39.34 39.54 39.58 39.71 39.79 39.97
Zeolites
d 2.568 2.555 2.551 2.519 2.509 2.506 2.494 2.372 2.467 2.448 2.442 2.435 2.434 2.406 2.400 2.398 2.395 2.393 2.391 2.385 2.383 2.380 2.372 2.352 2.340 2.329 2.325 2.323 2.321 2.317 2.300 2.296 2.290 2.279 2.277 2.269 2.266 2.256
16:323-802,
iv Ire1 4 4 4 4 2 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 2 4 4 4
0.2 1.1 0.2 0.6 3.8 0.6 0.2 0.3 0.2 2.1 0.2 0.2 0.4 0.4 0.6 0.1 0.9 0.8 1.0 0.2 0.4 0.6 0.1 0.2 0.2 0.1 0.6 0.4 0.3 0.2 0.2 0.1 0.7 0.2 0.2 0.3 0.2 0.1
1996
h
k
1
20
d
-5 -6 -4 -5 -4 -2 0 2 -3 -5 0 3 -3 -5 -4 -5 -5 1 1 0 3 -2 -6 -3 -6 -5 2 0 -5 -7 3 -4 -5 -4 17
6 3 0 4 6 3 10 2 9 5 7 3 8 6 8 3 0 0 10 5 4 10 5 5 0 6 4 8 7 1 5 1 6 7
-6
5 5 0
7 10 2 5 9 8 1 2 4 10 4 0 7 6 5 11 4 4 0 5 0 4 9 9 12 10 2 4 6 11 0 11 5 3 3 11 11 6
40.03 40.07 40.20 40.82 40.99 11.02 11.03 41.13 41.20 41.25 41.33 41.46 41.51 41.77 41.91 41.98 42.13 42.31 42.51 42.85 42.88 42.91 42.98 43.18 43.27 43.47 43.55 44.33 44.36 44.49 44.65 44.73 44.82 44.91 45.02 45.06 45.14 45.22
2.252 2.250 2.243 2.211 2.202 2.200 2.200 2.195 2.191 2.189 2.184 2.178 2.176 2.162 2.156 2.152 2.145 2.136 2.126 2.110 2.109 2.108 2.105 2.095 2.091 2.082 2.078 2.043 2.042 2.036 2.029 2.026 2.022 2.018 2.014 2.012 2.008 2.005
-5 -6
iv IreI 4 4 2 4 4 4 4 4 4 -1 4 4 4 4 4 4 2 2 4 4 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 2
0.1 0.1 0.3 0.4 0.1 0.1 0.1 0.1 0.3 0.7 0.2 0.1 0.1 0.1 0.5 0.1 0.2 0.1 0.4 0.3 0.6 0.3 0.5 0.5 1.0 0.2 0.2 0.2 0.2 0.4 0.8 0.4 0.2 0.2 0.1 0.2 0.3 0.3
-3
3 11 10 1
d 2.004 2.003 2.002 2.001 2.001 1.999 1.994 1.974 1.973 1.972 1.963 1.957 1.957 1.956 1.956 1.950 1.950 1.946 1.944 1.927 1.919 1.916 1.907 1.906 1.903 1.897 1.868 1.868 1.861 1.860 1.853 1.852 1.852 1.841 1.840 1.839 1.838 1.837
4 2 4 4 4 4 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4
0.6 0.2 0.4 0.2 0.1 0.5 0.5 0.1 0.1 0.2 0.2 0.1 0.2 0.1 0.2 0.1 0.2 0.2 0.9 0.3 0.1 0.3 0.6 0.2 0.3 0.9 0.1 1.1 0.2 0.4 0.3 0.5 0.3 0.1 0.1 0.2 0.3 0.2
PAU
Paulingite
h 10 14 10 14 10 11 14 11 12 13 14 10 12 14 11 12 11 14 12 12 15 14 14 15 14 12 13 10 14 11 11 12 15 12 11 14 14 12
k 10 2 10 2 9 9 3 8 8 6 3 10 6 4 9 7 10 5 8 9 1 4 5 2 6 9 7 10 6 9 11 7 4 8 11 5 7 10
1 0 0 2 2 5 2 1 5 2 3 3 4 6 2 4 5 1 1 4 1 0 4 3 1 0 3 4 6 2 6 0 7 1 6 2 5 1 2
26 36.20 36.20 36.57 36.57 36.76 36.76 36.76 37.12 37.31 37.49 37.49 37.67 37.67 37.67 37.85 37.85 38.21 38.21 38.39 38.57 38.57 38.74 38.92 38.92 39.10 39.27 39.27 39.45 39.45 39.62 39.96 39.96 39.96 40.14 40.31 40.31 40.31 40.48
d 2.482 2.482 2.457 2.457 2.445 2.445 2.445 2.422 2.410 2.399 2.399 2.388 2.388 2.388 2.377 2.377 2.355 2.355 2.345 2.334 2.334 2.324 2.314 2.314 2.304 2.294 2.294 2.284 2.284 2.275 2.256 2.256 2.256 2.247 2.237 2.237 2.237 2.228
M Ire1 12 24 24 24 48 48 48 48 48 48 24 24 24 48 48 48 48 48 48 48 24 24 48 48 24 48 48 24 48 48 12 24 48 48 24 24 48 48
3.1 0.8 0.5 0.4 3.8 2.3 1.2 0.2 0.2 0.2 0.2 0.1 0.4 0.4 0.2 0.1 0.3 1.7 0.4 0.2 0.5 0.3 2.4 0.4 1.7 0.2 0.7 1.1 2.1 0.2 3.0 0.4 0.4 0.5 0.3 0.2 2.8 0.2
h 12 15 16 11 13 16 14 16 15 10 14 12 15 14 11 14 15 12 16 11 13 13 12 12 13 15 16 17 12 13 14 17 16 17 12 11 13 17
k 9 4 0 11 8 1 8 2 6 10 8 11 5 6 10 7 6 11 3 11 10 9 12 11 11 7 5 1 12 11 7 2 6 3 12 11 11 4
1 5 3 0 4 5 1 0 0 1 8 2 1 4 6 7 5 3 3 3 6 3 6 0 5 0 4 3 0 2 2 7 1 2 0 4 8 4 1
20
d
M
Ire1
h
k
1
20
40.65 40.65 41.16 41.32 41.32 41.32 41.49 41.49 41.66 41.82 41.82 41.99 41.99 42.15 42.32 42.32 42.32 42.65 42.65 42.97 42.97 43.62 43.78 43.94 43.94 43.94 43.94 43.94 44.10 44.25 44.25 44.25 44.41 44.57 45.04 45.20 45.20 45.20
2.220 2.220 2.193 2.185 2.185 2.185 2.176 2.176 2.168 2.160 2.160 2.152 2.152 2.144 2.136 2.136 2.136 2.120 2.120 2.105 2.105 2.075 2.068 2.061 2.061 2.061 2.061 2.061 2.054 2.047 2.047 2.047 2.040 2.033 2.013 2.006 2.006 2.006
48 48 6 24 48 24 24 24 48 24 48 48 48 24 48 48 48 48 24 24 48 48 12 48 24 48 48 24 24 48 24 48 48 24 24 24 48 48
0.3 0.1 0.7 0.4 0.2 0.6 0.3 0.2 0.3 0.4 0.1 0.5 0.2 0.8 0.5 0.5 0.3 0.2 0.1 2.1 0.2 0.2 1.1 1.9 0.6 0.1 0.1 0.8 0.5 0.6 5.0 2.4 0.2 1.0 1.6 1.4 4.7 0.2
12 16 15 14 17 14 17 16 13 18 14 18 18 18 15 17 18 16 13 15 14 18 13 14 15 14 12 16 13 17 18 17 16 18 19 14 17 19
10 6 7 10 5 11 5 8 12 0 11 1 2 2 10 6 3 8 13 8 12 4 13 11 9 12 11 9 10 6 5 7 10 5 1 13 9 3
8 4 6 4 0 1 2 0 3 0 3 1 0 2 3 3 1 4 0 7 0 0 2 5 6 2 9 3 9 5 1 4 0 3 0 1 0 0
45.35 45.35 45.51 45.66 45.82 46.12 46.12 46.28 46.43 46.58 46.74 46.74 46.89 47.19 47.34 47.34 47.34 47.49 47.64 47.64 47.79 47.79 47.94 47.94 47.94 48.09 48.24 48.24 48.53 48.53 48.53 48.83 48.97 49.12 49.41 49.70 49.99 49.99
d 2.000 2.000 1.993 1.987 1.980 1.968 1.968 1.962 1.956 1.950 1.944 1.944 1.938 1.926 1.920 1.920 1.920 1.914 1.909 1.909 1.903 1.903 1.898 1.898 1.898 1.892 1.887 1.887 1.876 1.876 1.876 1.865 1.860 1.855 1.844 1.834 1.824 1.824
hkl
28
d
49.22 49.33 49.35 49.42 49.43 49.59 49.72 49.93
1.851 1.847 1.846 1.844 1.844 1.838 1.834 1.827
M Ire1 48 48 48 48 24 48 48 24 48 6 48 24 24 24 48 48 48 48 12 48 24 24 24 48 48 48 48 48 48 48 48 48 24 48 24 48 24 24
0.3 0.3 0.4 1.3 0.1 0.8 0.3 0.2 1.3 0.6 2.3 0.1 1.3 0.4 0.7 0.8 0.2 0.3 0.8 0.3 0.3 0.3 0.1 0.3 0.1 0.3 0.6 0.1 0.3 0.5 0.4 0.6 0.3 0.1 1.5 0.4 0.8 0.8
Phillbsite
h
k
1
-3 -3 4 -4 -5 -5 -4 -4 -5
5 3 3 4 2 0 4 1 0 2 0 3 4 3 2 4 1 2
28
d
M
Are1
hkl
46.25 46.28 46.28 46.40 46.40 46.52 46.58 46.64 46.86
1.963 1.962 1.961 1.957 1.957 1.952 1.950 1.947 1.939
4 4 4 4 2 2 4 4 4
3.7 1.5 3.3 0.2 3.9 4.6 1.5 2.1 0.4
-5 12 -3 -3 -5 -5 4 -4 3
1 6 6 2 2 3 5 41
3 3 1 2 2 3 0 2
28
d
M
Ire.1
46.97 46.98
1.934 1.934 1.914 1.911 1.887 1.883 1.875 1.868 1.855
4 4 4 4 4 4 4 4 4
2.4 0.3 1.3 3.8 2.0 0.3 1.1 0.2 1.2
47.51 47.58 48.22 48.32 48.55 48.76 49.11
13 2 171 -1 -3 -2 0 2
4
3 2
7 4 4 5 7
2 4 4 3 0
Zeolites
16:323-602,
M Ire1 4 4 4 4 4 4 4 4
0.4 0.2 0.6 0.1 0.4 1.1 8.5 0.1
1996
635
PHI
Harmotome
h
k
1
28
d
M
Ire1
0 -3 -1 3 -5 -3 -5 -4 3 -2 4 2
6 3 7 3 0 5 0 2 5 3 2 3
2 4 1 1 3 3 2 4 0 4 0 2
46.16 46.22 46.31 46.35 46.37 46.39 46.42 46.46 46.47 46.49 46.59 46.60
1.966 1.964 1.960 1.959 1.958 1.957 1.956 1.955 1.954 1.953 1.949 1.949
4 4 4 4 2 4 2 4 4 4 4 4
2.5 2.9 0.9 0.8 1.3 1.0 3.9 3.1 1.8 0.1 6.7 1.9
hkl -4 -4 0 -5 -1 1 -3 -3 -5 -5 -4 4
4 4 7 1 2 2 6 6 2 2 3 3
3 1 1 3 4 3 2 1 3 2 4 0
28
d
46.60 46.67 46.74 46.84 47.27 47.32 47.88 47.91 48.23 48.27 48.76 48.90
1.949 1.946 1.944 1.940 1.923 1.921 1.900 1.899 1.887 1.885 1.867 1.863
M
Ire1
h
k
4 4 4 4 4 4 4 4 4 4 4 4
1.3 0.2 0.4 1.2 1.9 3.0 1.6 2.5 0.3 0.2 0.4 0.1
-4 -3 -1 3 1 -2 2 -2 -5 2
5 4 3 4 3 4 4 6 0 6
1
28
2 4 4 1 3 4 2 3 4 1
48.97 49.44 49.54 49.56 49.60 49.70 49.80 49.88 49.92 49.95
d 1.860 1.843 1.840 1.839 1.838 1.835 1.831 1.828 1.827 1.826
M
Ire1
4 4 4 4 4 4 4 4 2 4
0.5 1.8 1.0 0.3 0.9 1.6 1.2 0.5 1.2 1.4
RUB-17
h
k
1
28
-3 -2 1 0 2 -3 3 -2 -2 2 2 3 2 -3 -1 0
1 2 9 20 12 3 11 4 16 0 16 1 2 5 19 12
2 3 3 0 2 2 0 3 1 3 1 2 3 2 1 3
44.42 44.42 44.44 44.68 44.74 44.89 44.91 45.12 45.19 45.56 45.65 45.79 45.79 45.82 45.92 45.94
636
Zeolites
d 2.039 2.039 2.039 2.028 2.026 2.019 2.018 2.009 2.006 1.991 1.987 1.982 1.982 1.980 1.976 1.976
16:323-602,
M
1x1
4 4 4 2 4 4 4 4 4 2 4 4 4 4 4 4
2.9 3.5 1.7 0.7 0.1 1.0 1.3 0.3 3.5 1.3 1.3 0.7 1.9 1.3 0.7 1.7
1996
h
k
1
28
d
M
IreI
h
k
-1 1 3 -2 -3 0 1 -2 -1 3 3 -3 0 1 2 2
11 19 3 6 11 20 11 14 17 11 5 7 18 17 18 6
3 1 2 3 1 1 3 2 2 1 2 2 2 2 0 3
46.08 46.15 46.25 46.28 46.36 46.47 46.75 46.84 46.98 47.03 47.16 47.19 47.41 47.42 47.54 47.61
1.970 1.967 1.963 1.962 1.959 1.954 1.943 1.940 1.934 1.932 1.927 1.926 1.918 1.917 1.913 1.910
4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4
1.6 6.4 2.8 3.4 0.6 1.4 0.2 1.1 0.7 0.7 0.4 0.4 3.1 0.3 4.3 3.0
3 2 -2 3 -1 1 0 -3 -2 -3 1 2 3 -2 0
13 14 8 7 13 21 14 9 18 13 13 18 13 10 0
1 0 2 3 2 3 0 3 2 1 1 3 1 1 3 4
28 47.66 47.72 47.86 48.50 48.78 48.80 48.86 48.97 49.03 49.04 49.42 49.46 49.68 49.84 49.94
d 1.908 1.906 1.900 1.877 1.867 1.866 1.864 1.860 1.858 1.857 1.844 1.843 1.835 1.830 1.826
M
IreI
4 4 4 4 4 4 4 4 4 4 4 4 4 4 2
0.7 2.5 1.6 3.4 0.1 0.2 0.3 1.4 1.3 1.5 2.5 1.5 0.8 0.2 2.4
RUB-10
0 3 5 6 3 1 3 6 2 2 3 2 1
28 43.09 43.34 43.91 43.97 44.14 44.16 44.21 44.52 44.60 44.61 44.77 44.87 44.94
d 2.099
1
28
d
h
k
1
5 -3 1 -2 -6 4 3 -3 4 -1 1 -4 -6
3 5 1 0 2 4 3 1 3 6 5 5 2
h
k
2 4 -6 4 0 -1 1 -6 -6 -6 -2 -1
6 6 0 4 4 9 9 2 4 2 8 1
2 0 1 1 4 1 0 5 2 1 3 5
44.88 45.03 45.04 45.43 45.43 45.53 45.55 45.69 45.88 46.19 46.64 46.68
2.088 2.062 2.059 2.051 2.051 2.049 2.035 2.032 2.031 2.024 2.020 2.017
2.020 2.013 2.013 1.997 1.996 1.992 1.992 1.986 1.978 1.965 1.947 1.946
RUT
SiOz framework
h
k
1
28
d
M
Ire1
h
k
1
28
d
M
Ire1
0.1 0.5 1.9 0.4 0.3 0.2 0.2 0.4 0.1 0.3 0.6 0.6 0.9
-4 6 -1 -6 -1 -3 3 2 5 1 -6 5 0
0 0 1 2 5 2 1 6 3 6 0 1 5
6 0 6 4 4 6 4 1 1 2 5 2 4
45.23 45.25 45.92 45.98 46.04 46.24 46.46 46.60 46.65 46.83 46.97 47.05 47.58
2.005 2.004 1.976 1.974 1.971 1.963 1.954 1.949 1.947 1.940 1.935 1.931 1.911
2 2 4 4 4 4 4 4 4 4 2 4 4
0.2 0.2 0.5 0.2 1.1 0.1 1.4 0.6 0.4 0.3 0.8 1.5 0.2
4 -5 0 3 3 1 4 2 -3 -6 -7 2
2 3 0 5 4 3 4 1 3 2 1 6
3 5 6 2 3 5 2 5 6 5 2 2
47.61 47.63 47.97 47.99 48.18 48.44 48.54 48.61 49.01 49.17 49.43 49.78
1.910 1.909 1.896 1.896 1.889 1.879 1.876 1.873 1.859 1.853 1.844 1.831
4 4 2 4 4 4 4 4 4 4 4 4
0.5 0.2 0.2 0.5 0.2 0.4 0.8 0.1 2.0 0.3 0.4 0.2
M Ire1
h
k
1
28
d
M
Ire1
1 -7 -7 -2 3 -1 1 -4 3 -5 -4 -5
1 1 1 4 7 9 9 8 5 7 0 5
4 4 3 5 1 2 1 2 2 3 6 5
48.89 48.95 49.20 49.23 49.27 49.29 49.31 49.48 49.50 49.65 49.72
1.863 1.861 1.852 1.851 1.849 1.849 1.848 1.842 1.841 1.836 1.834
4 4 4 4 2 4 4 4 4 4 4
0.2 0.6 1.3 0.8 0.1 0.1 1.4 0.8 0.2 1.8 0.3
kf
Ire1
4 4 4 2 4 4 4 4 4 4 4 4 4
4 4 2 4 4 4 4 4 4 4 4 4
0.1 0.4 1.2 2.4 0.7 0.3 0.2 0.9 2.1 0.2 0.5 0.4
28
46.87 47.12 47.26 47.29 47.83 47.88 47.94 48.00 48.25 48.54 48.64 48.70
d
1.939 1.929 1.923 1.922 1.902 1.900 1.898 1.895 1.886 1.876 1.872 1.870
M Ire1
hkl
4 4 4 4 4 4 4 4 4 4 2 4
0.3 0.9 0.1 1.1 0.1 0.9 1.8 2.6 1.9 4.6 0.6 3.6
-1 -5 5 -4 4 -7 -7 -3 -6 5 -4
3 1 5 8 0 1 3 9 4 1 2
5 6 0 1 2 5 4 2 1 1 6
M
Ire1
h
k
1
28
4 8 8 8 8
1.6 1.1 4.5 1.1 0.2
6 7 7 3 4
4 3 1 9 2
4 1 3 1 8
49.23 49.38 49.47 49.60 49.87
Barrerite
h
k
1
28
1 0 3 1 2
1 9 5 9 1
9 3 7 3 9
46.56 47.49 47.94 47.98 48.05
d
1.951 1.915 1.898 1.896 1.893
M
8 4 8 8 8
Irel
h
k
1
28
0.1 0.1 0.1 1.0 0.2
4 5 5 5 4
8 7 5 1 8
0 1 5 7 2
48.07 48.64 48.90 49.17 49.21
d
1.893 1.872 1.862 1.853 1.851
Zeolites
d
1.851 1.846 1.843 1.838 1.829
16:323-602,
M
Ire1
8 8 8 8 8
0.6 0.3 0.9 0.2 0.7
1996
637
VNI
VPI-9
hk
1
20
d
hl
I rel
hk
32 32 3 3 32 32 1 2 1 32 32 2 3 3 32 2 2 32 3 0 1 32 3 2 32 2 2 3 3 3 1 3 2 3 2 2 3 3 3 40 3 40 1 40 2 3 2 40 40 3 3 40 2 40 3 410 4
1
1
32.67 32.69 32.72 32.73 32.76 32.88 32.89 32.93 32.99 33.04 33.24 33.34 33.34 33.45 33.49 33.58 33.73 33.79 34.00 34.08 34.10 34.13 34.19 34.40 34.50 34.56 34.59 34.69 34.92 34.97 35.32 35.38 35.41 35.41 35.47 35.61 35.77 35.88 36.16 36.36 36.41 36.44 36.50 36.55 36.56 36.60 36.66 36.70 36.88 36.94 36.98 37.11 37.19 37.38 37.45 37.52 37.54
2.741 2.739 2.737 2.736 2.734 2.724 2.723 2.720 2.715 2.711 2.695 2.687 2.687 2.679 2.675 2.669 2.657 2.653 2.637 2.630 2.630 2.627 2.622 2.607 2.599 2.596 2.593 2.586 2.569 2.566 2.541 2.537 2.535 2.535 2.530 2.521 2.510 2.503 2.484 2.471 2.468 2.465 2.462 2.459 2.458 2.455 2.451 2.449 2.437 2.433 2.431 2.422 2.417 2.405 2.401 2.397 2.396
8 16 16 8 16 16 8 8 8 16 16 8 16 8 16 16 8 16 16 2 8 16 8 8 16 8 16 16 16 8 8 16 8 16 8 16 8 16 16
0
0 1 13 15 2 3 26 17 25 4 5 23 14 16 6 22 18 7 15 28 27 8 17 24 9 19 23 16 10 18 27 11 20 17 25 24 19 12 18 0 13 2 28 3 26 20 25 4 5 19 14 6 22 7 21
0.3 0.3 2.3 2.7 0.3 0.4 2.5 1.5 0.4 7.8 2.2 1.9 21.4 49.4 1.4 5.0 17.7 3.6 1.1 0.3 0.2 8.8 1.5 1.2 0.7 0.2 0.3 4.2 0.7 1.4 0.1 0.7 5.9 0.5 2.2 3.8 1.4 4.1 14.6 4.5 1.6 0.1 0.1 0.1 0.1 0.3 1.5 1.5 0.6 2.4 5.0 0.4 6.6 0.2 4.4 0.2 1.7
3 412 1 40 2 3 1 414 41 40 2 3 416 3 417 3 33 33 33 2 2 41 33 3 1 33 2 0 33 4 3 4 33 3 4 3 33 2 33 4 1 3 33 3 3 4 3 4 4 42 2 42 2 3 3 1 42
1 0
0 2 1
0 1 0 1 2 1 0 0 0 0 2 1 1 2 0 1 2 2 1 0 1 0 2 1 2 1 0 0 1
1 2 2
638
Zeolites
16:323-802.1996
16 8 8 8 8 8 16 8 8 16 16 8 8 8 8 8 16
1 2
15
1 1 1 0
29 8 26 20 30
2 2
5 9 23 16
0
22
1
21 0 1 2 28 27 8 3 17 30 4 24 32 5 9 23 12 6 22 10 18 7 28 8 11 31 24 9 19 23 12 10 13 15 2 29 3 26 20 24 32 5
0 1
2 1 2 0 1 0 0 1 1 2 1 1 1 0 2 1 1 3 1 0 1 2 2 1 1
20
d
37.58 37.60 37.68 37.69 37.72 37.75 37.76 37.85 38.03 38.04 38.12 38.21 38.25 38.33 38.52 38.58 38.65 38.67 38.73 38.78 38.79 38.82 38.83 38.88 38.88 38.97 39.06 39.14 39.15 39.16 39.23 39.31 39.37 39.44 39.53 39.57 39.62 39.88 39.92 39.95 40.08 40.16 40.25 40.29 40.32 40.39 40.62 40.88 40.88 40.91 40.98 41.00 41.01 41.05 41.23 41.30 41.31
2.393 2.392 2.387 2.387 2.385 2.383 2.383 2.377 2.366 2.365 2.361 2.355 2.353 2.348 2.337 2.333 2.330 2.328 2.325 2.322 2.321 2.320 2.319 2.317 2.316 2.311 2.306 2.302 2.301 2.300 2.296 2.292 2.289 2.285 2.279 2.277 2.275 2.260 2.258 2.257 2.249 2.245 2.241 2.238 2.237 2.233 2.221 2.208 2.207 2.206 2.202 2.201 2.201 2.199 2.190 2.186 2.186
h4
IId
hk
16 16 8 8 16 16 8 16 16 8 8 16 16 8 16 16 4 8 8 8 16 16 8 16 8 8 8 2 8 16 8 8 8 16 16 16 8 16 8 16 8 8 8 16 16 16 8 16 8 16 16 16 8 16 16 8 16
4.3 2.1 0.9 3.1 3.3 12.5 0.1 0.9 2.3 1.4 1.0 0.1 0.1 1.4 4.3 0.7 11.5 0.1 0.2 1.2 3.0 0.6 0.2 3.8 2.8 1.2 17.5 0.2 0.6 2.1 0.9 4.6 6.3 3.3 1.2 2.3 0.3 6.2 1.0 1.9 0.3 0.4 0.7 2.9 2.7 1.2 0.1 3.0 0.3 3.1 4.2 1.1 0.8 4.7 7.3 0.2 1.5
4 3 4 42 4 3 3 4 2 42 3 2 3 2 42 3 4 1 3 4 3 2 3 4 4 2 2 3 4 3 4 4 1 3 3 4 3 3 4 3 4 1 3 4 2 3 4 2 2 4 43 43 43 50 3 43 3
1 3 0 2 2 3 1 2 0 1 1 0 3 1 1 2 2 3 2 1 2 1 1 0 2 2 3 1 2 0 0 1 0 3 2 2 3 2 1 1 1 2 2 2 1 0 1
1 2
1
20
d
fi1
Ire1
14 12 16 6 7 21 13 15 27 8 26 30 25 31 9 14 16 33 22 10 15 28 26 11 17 31 32 23 12 16 18 13 35 28 27 20 17 24 14 18 15 35 28 20 30 25 16 33 34 21 0 1 2 2 29 3 26
41.39 41.46 41.48 41.52 41.76 41.82 41.93 41.94 42.02 42.04 42.07 42.10 42.15 42.20 42.36 42.43 42.52 42.52 42.63 42.71 42.97 43.04 43.10 43.10 43.13 43.23 43.37 43.46 43.52 43.54 43.77 43.98 43.99 44.05 44.06 44.14 44.14 44.31 44.46 44.77 44.98 44.99 45.05 45.13 45.13 45.18 45.53 45.53 45.73 45.85 45.91 45.92 45.98 45.98 46.05 46.06 46.08
2.181 2.178 2.177 2.175 2.163 2.160 2.155 2.154 2.150 2.149 2.148 2.146 2.144 2.141 2.134 2.130 2.126 2.126 2.121 2.117 2.105 2.101 2.099 2.099 2.098 2.093 2.086 2.082 2.079 2.079 2.068 2.059 2.058 2.056 2.055 2.052 2.052 2.044 2.038 2.025 2.015 2.015 2.013 2.009 2.009 2.007 1.992 1.992 1.984 1.979 1.977 1.976 1.974 1.974 1.971 1.970 1.970
16 8 8 16 16 16 8 16 8 16 8 16 16 8 16 8 16 8 16 16 8 8 16 16 16 16 8 16 16 8 16 16 8 8 16 8 8 16 16 8 16 8 16 16 8 16 16 16 8 16 8 16 16 8 16 16 16
1.1 6.3 7.4 0.3 0.3 0.2 1.2 0.5 0.5 5.9 0.2 4.1 1.0 1.2 0.4 0.2 1.6 2.0 1.2 2.1 0.9 0.1 14.4 0.5 2.2 1.7 5.7 1.2 4.2 3.7 0.5 0.6 0.3 0.2 0.3 3.2 0.5 1.1 2.5 3.9 1.1 0.3 15.1 0.4 0.1 0.1 1.1 0.4 0.1 1.1 0.2 0.4 2.7 0.1 1.6 0.4 2.1
YUG
Yugawaralite
h
k
1
28
d
M
Ire,
h
k
1
28
d
M
Ire,
2 -3 -2 -3 2 -3
1 4 2 2 6 4
3 2 5 4 0 1
48.48 48.53 48.60 48.67 48.76 48.77
1.878 1.876 1.873 1.871 1.867 1.867
4 4 4 4 4 4
1.9 0.8 1.0 0.2 1.6 1.7
-1 0 0 1 -1 0
5 6 1 5 3 7
4 3 5 3 5 2
48.77 48.78 49.06 49.33 49.52 49.65
1.867 1.867 1.857 1.847 1.841 1.836
4 4 4 4 4 4
0.4 0.1 1.3 0.2 1.1 0.6
d
M
Ire1
h
k
1
28
d
M
Ire,
1.949 1.926 1.912 1.902 1.900 1.899 1.898 1.890 1.881 1.879 1.870 1.867 1.863 1.854
8 8 8 8 8 8 4 2 8 4 8 8 8 8
0.3 0.8 0.2 0.8 0.4 0.1 2.1 0.5 0.2 0.6 0.2 1.6 0.5 0.2
0 4 7 2 7 6 4 6 7 6 6 2 5 6
8 7 0 6 3 0 7 3 1 1 4 8 2 5
2 0 4 6 2 6 1 5 4 6 4 0 7 2
49.33 49.37 49.42 49.42 49.46 49.48 49.66 49.81 49.81 49.87 49.93 49.94 49.95 49.98
1.847 1.846 1.844 1.844 1.843 1.842 1.836 1.831 1.831 1.829 1.826 1.826 1.826 1.825
4 4 4 8 8 4 8 8 8 8 8 4 8 8
0.7 1.0 0.1 0.2 0.2 0.3 1.3 1.5 0.1 0.2 0.2 0.3 0.3 0.6
h -1 3 2 1
k 7 2 2 7
1 2 1 3 1
20 49.74 49.86 49.87 49.97
d 1.833 1.829 1.829 1.825
M 4 4 4 4
IreI 0.8 0.5 0.4 0.7
ZAPO-Ml
h
k
1
26’
d
M
Ire,
hkl
4 2 0 4 2 2 2 6 4 1 7 4 3 6
6 7 6 1 2 5 7 2 6 3 0 2 1 4
0 1 5 7 8 6 2 4 2 8 2 7 8 2
44.05 44.13 44.24 44.61 44.85 44.95 45.07 45.08 45.30 45.53 45.83 45.87 45.96 46.38
2.056 2.052 2.047 2.031 2.021 2.016 2.012 2.011 2.002 1.992 1.980 1.978 1.975 1.958
4 8 4 8 8 8 8 8 8 8 4 8 8 8
0.3 0.9 1.6 0.2 0.6 0.3 0.4 0.2 0.4 0.2 0.1 0.8 0.2 0.5
2 4 3 6 6 4 0 0 1 0 2 2 2 4
28 7 5 4 2 4 3 4 8 4 8 7 1 5 1
3 46.61 5 47.19 7 47.55 5 47.83 3 47.88 7 47.91 8 47.93 0 48.15 8 48.38 1 48.45 4 48.70 9 48.78 7 48.89 8 49.15
Zeolites
16:323-902,
1996
639
POWDER PATTERN SIMULATIONS FOR DISORDERED INTERGROWTHS
640
Zeolites
16:323-802,
1996
Beta family,
polymorph
A (*BEA)
- polymorph
B
Zeolites
16:323-802,
1996
641
SSZ33/SSZ26
642
Zeolites
16:323-802,
1996
far nily,
polymorph
A - polymorph
B
Faujasite
family,
FAU - EMT
u, 0
I
4 ---==+
<
i
-2
i +
-.
Zeolites
16:323-802,
1996
643
ZSM5/11 family, MFI - MEL iii 2
644
Zeolites
16:323-802,
1996
Offretite
- Erionite
family
k
0 I
I”“(““/“’
Zeolites
16:323-802,
1996
645
ATOMIC
646
Zeolites
16:323-802,
1996
COORDINATES
ABW
Li-ABW REFINED
COMPOSITION: CRYSTAL
Li4(Si4A140is).4H20
DATA:
Pnaal
(No.
33)
a = 10.313 A
b = 8.194 A cl! = 90” p = 90” X-ray single crystal refinement, REFERENCE:
c = 4.993 A y = 90” R, = 0.081
E. Krogh Andersen and G. Ploug-Sorensen, Z. Kristallogr. 176, 67-73 (1986).
Atom Li Si Al 01 02 03 04 Hl H2 05
X
0.1862 0.3544 0.1593 0.0061 0.2736 0.1912 0.1804 0.5497 0.4965 0.4891
9 0.6849 0.3757 0.0810 0.1584 0.2198 0.0399 -0.1008 0.1798 0.0587 0.0903
2
Bisa
OCC
0.2520 0.2492 0.2500 0.1970 0.1391 0.5907 0.0689 0.8651 0.5773 -0.2395
1.57 0.44 0.4 0.75 0.97 0.76 0.68 4.0 4.2 2.93
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-802,
1996
647
AEI
Calcined
REFINED
COMPOSITION: CRYSTAL
Alz4Pz40aB
DATA:
Cl 2/c 1 (No. 15) unique axis b, cell choice 1 a = 13.7114 A b = 12.7315 A c = 18.5706 A a = 90” p = 90.01” y = 90” X-ray Rietveld refinement, Rexp = 0.047, R,, = 0.108, RF = 0.032
REFERENCE:
A. Simmen, L. B. McCusker, Zeolites 11, 654-661 (1991); and Ch. Baerlocher, private
Atom All Al2 Al3 Pl P2 P3 01 02 03 04 05 06 07 08 09 010 011 012
648
Zeolites
16:323-802,
1996
AIP04-18
5
0.88997 0.88129 0.22953 0.77251 0.10981 0.11634 0.17723 0.14278 0.00371 0.84714 0.81686 0.01022 0.13601 0.33199 0.85795 0.81531 0.12779 0.26213
Y 0.95872 0.22661 0.09687 0.09559 0.23135 0.96983 0.05318 0.16702 0.25884 0.16747 0.04552 0.99732 0.86260 0.16953 0.96546 0.33988 0.16274 -0.01281
Ch. Baerlocher communication.
z
Bj,,
occ
0.16598 0.93877 0.04922 0.05384 0.93763 0.16394 0.12913 0.00209 0.94574 0.02039 0.12009 0.15632 0.13230 0.06981 0.25665 0.92509 0.87230 0.99849
0.75 0.96 1.42 1.42 0.96 0.75 0.72 0.72 0.72 0.72 0.72 0.72 0.72 0.72 0.72 0.72 0.72 0.72
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
and W. M. Meier,
AEL
Calcined AlPOdREFINED
COMPOSITION: CRYSTAL
DATA:
A120PzoOso (No. 46) bai? setting a = 13.5336 A b = 18.4821 Ibm2
a = 90”
p = 90”
A
c = 8.3703 y = 90”
A
Neutron Rietveld refinement, R,, = 0.027, RF2 = 0.058 REFERENCE:
J. W. Richardson, Jr., J. J. Pluth and J. V. Smith, Acta Cryst. B44, 367-373 (1988).
Atom All Al2 Al3 Pl P2 P3 01 02 03 04 05 051 06 061 07 071 08
z
Y
z
0.134 0.949 0.850 0.143 0.953 0.857 0.143 0.945 0.860 0.242 0.068 0.057 0.118 0.125 0.913 0.909 0.762
0.035 0.102 0.250 0.025 0.104 0.250 0.039 0.105 0.250 0.068 0.088 0.091 0.955 0.954 0.179 0.177 0.250
-0.199 0.317 -0.185 0.182 -0.306 0.185 0.000 0.517 0.024 0.243 0.252 -0.257 0.232 -0.264 0.232 -0.263 0.234
@so occ 2.76 3.54 1.89 2.76 3.54 1.89 12.15 6.09 9.72 5.04 5.37 5.37 8.52 8.52 8.76 8.76 7.02
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-802,
1996
649
AEL
Diisopropylamine
REFINED
COMPOSITION: CRYSTAL
(A120.~i4P1s.220s”).(C15.5N2.58)
DATA:
Ibm2 (No. 46) bai? setting a = 13.472 A b = 18.712 A cl = 90” p = 90” X-ray single crystal refinement,
REFERENCE:
All Al2 Al3 Pl P2 P3 01 02 03 04 05 051 06 061 07 071 08 Cl c2 c3 c4 N
Zeolites
16:323-802,
1996
c = 8.4431 H, y = 90” R, = 0.042
J. J. Pluth, J. V. Smith and 3. W. Richardson, J. Phys. Chem., 92, 2734-2738 (1988).
Atom
650
MnAPO-11
2
0.1390 0.9501 0.8565 0.1464 0.9515 0.8621 0.1430 0.9515 0.8542 0.2455 0.0690 0.0564 0.1250 0.1158 0.9175 0.9169 0.7620 0.250 0.246 0.3449 0.161 0.301
Y 0.0331 0.1060 0.250 0.0365 0.10846 0.250 0.0364 0.1120 0.250 0.0612 0.0874 0.0974 0.9611 0.9498 0.1863 0.1786 0.250 0.250 0.250 0.250 0.250 0.206
z
&so
occ
-0.203 0.294 -0.208 0.170 -0.334 0.163 0.000 0.491 0.001 0.228 0.234 -0.277 0.232 -0.276 0.221 -0.267 0.227 0.073 0.346 0.457 0.448 0.242
3.553 3.553 2.921 3.324 3.024 2.661 9.396 10.185 10.422 6.711 6.632 6.79 7.106 7.896 8.764 8.922 9.554 21.318 21.318 13.738 17.371 17.371
1.034 1.028 1.010 0.913 0.912 0.904 1.0 1.0 1.0 1 .O 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.646 0.646 1.292 1.292 0.323
Jr.,
AET
AIP04-8 REFINED
COMPOSITION: CRYSTAL
DATA:
Si72Or44
Cmcm
(No. 63)
a = 33.2900 A b = 14.7036 A c = 8.3863 A a = 90” p = 90” y = 90” Neutron Rietveld refinement, R,, = 0.043, RF2 REFERENCE:
=
0.077
J. W. Richardson, Jr. and E. T. C. Vogt, Zeolites 12, 13-19 (1992).
Atom
X
Y
z
Biso
OCC
Sill Si12 Si21 Si22 Si23 011 012 021 022 031 032 033 041 042 051 052 053 061 062
0.1904 0.0
0.416 0.132 0.094 0.404 0.226 0.5 0.0 0.402 0.127 0.133 0.394 0.324 0.175 0.0 0.096 0.378 0.232 0.174 0.5
0.066 -0.028 0.055 -0.061 -0.071 0.0 0.0 0.25 -0.25 0.018 0.020 0.031 0.017 0.0 0.25 -0.25 -0.25 0.002 0.0
-1.3 12.4 -0.1 -0.1 -0.1 0.3 12.8 -0.7 12.5 2.0 3.0 3.0 3.0 3.0 6.6 6.6 6.6 3.0 3.0
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
0.0878 0.2740 0.1573 0.1767 0.0 0.1772 0.0 0.0456 0.2317 0.1580 0.1993 0.0906 0.0847 0.2590 0.1444 0.1154 0.2865
AlP04-8 is an aluminophosphate material, here refined assuming a SiO:! composition in a higher space group symmetry.
Zeolites
16:323-802,
1996
651
AFG
Afghanite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
(Na~~.c&a~,~)(Si~~Al~~O~~)~(S~.~O~~.~~C1~)~4H~O Locality unknown. P63mc (NO. 186) a = 12.761 A b = 12.761 A a = 90” p = 90” X-ray single crystal refinement,
c = 21.416 A y = 120° R = 0.069
E. A. Pobedemskaya, R. K. Rastsvetaeva, L. E. Terenteva and A. N. Saposhnikov, Doklady Akademee Nauk SSSR, 320, 882-886
Atom Nal Na2 Na3 Na4 Na5 Na6 Cal Ca2 Ca3 Ca4 Ca5 Ca6 Sil Si2 Si3 Si4 All Al2 Al3 Al4 01 02 03 04 05 06 07 08 09 010 011 012 Sl s2
X
0.2160 0.2238 0.4707 0.4907 0.4034 0.34 0.3333 0.3333 0.0 0.0 0.5162 0.5051 0.2586 0.0746 0.0001 0.0770 0.2586 0.0746 0.0001 0.0770 0.3332 0.3481 0.1186 0.3286 0.3453 0.1184 0.1101 0.1132 0.4490 0.4589 0.2120 0.2222 0.3333 0.3333
Y
-0.2160 -0.2238 0.5293 -0.4907 0.2017 0.17 0.6667 0.6667 0.0 0.0 0.0325 0.0101 0.0061 0.4100 0.2572 0.4091 0.0061 0.4100 0.2572 0.4091 0.3169 0.3434 -0.1186 0.3309 0.3363 -0.1184 -0.1101 -0.1132 -0.4490 -0.4589 -0.2120 -0.2222 0.6667 0.6667
,7
0.3750 0.1346 0.2482 0.0064 0.6157 0.89 0.6226 0.8663 0.2594 0.0079 -0.0015 0.7422 0.5020 0.8758 0.2517 0.6281 0.5020 0.8758 0.2517 0.6281 0.6838 0.8107 0.7533 0.4326 0.0586 0.0009 0.4935 0.2445 0.6177 0.8715 0.6247 0.8677 0.2507 0.4598 continued.
652
Zeolites
16:323-602,
1996
@so occ 2.30 3.05 2.59 2.92 2.84 2.48 1.47 2.25 0.88 1.01 0.36 0.87 0.59 1.20 0.73 0.56 0.59 1.20 0.73 0.56 1.94 0.50 1.89 1.78 1.79 0.13 4.05 1.22 1.19 1.51 1.97 0.88 2.63 2.23 ..
0.90 0.66 0.85 0.83 0.33 0.10 1.0 1.0 1.0 1.0 0.16 0.14 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.90 1.0
(1991).
AFG
Afghanite . . . continued
from previous
Atom s3 013 015 017 018 019 020 Cl 021 Hz014 Hz016
page
x z Bif+, OCC 9 0.3333 0.6667 0.0359 2.17 0.75 0.3333 0.6667 0.9688 3.67 1.0 0.6116 -0.6116 -0.0661 4.33 1.0 0.561 0.281 0.719 2.24 0.27 0.272 0.545 0.780 2.77 0.33 0.603 0.206 0.551 2.29 0.41 0.227 0.613 0.802 4.59 0.33 0.1257 3.10 1.0 0.0 0.0 0.636 0.272 0.0163 3.45 0.33 0.3333 0.6667 0.7474 3.31 1.0 0.0 0.0 0.3766 5.89 1.0
Zeolites
16:323-602,
1996
653
AFI
Tetrapropylammonium
REFINED
COMPOSITION: CRYSTAL
DATA:
P&c (No. 184) a = 13.740 A b = 13.740 A a = 90” p = 90” X-ray single crystal refinement, S. Qiu, W. Pang, H. Kessler Zeolites 9, 440-444 (1989).
Atom P Al 01 02 03 04 Cl
c2 c3 c4 c5 C6 N F
Zeolites
16:323-802,
1996
AIP04-5
(P12A112048).C12NF
REFERENCE:
654
fluoride
z 0.4529 0.4571 0.4214 0.4550 0.3658 0.5742 0.104 0.125 0.104 0.000 0.041 0.082 0.000 0.500
Y 0.3281 0.3382 0.209 0.3299 0.3597 0.4175 0.041 0.979 0.979 0.895 0.895 0.957 0.000 0.500
z 0.053 0.425 0.008 0.251 0.004 0.007 0.666 0.750 0.416 0.500 0.359 0.221 0.543 0.317
c = 8.474 ii y = 120”
R, = 0.042
and J. L. Guth,
&Cl
occ
2.25 1.89 4.18
1.0 1.0 1.0 1.0 1.0 1.0 0.1667 0.1667 0.1667 0.1667 0.1667 0.1667 0.5 0.1667
5.33 4.11 5.03 3.95 3.95 3.95 3.95 3.95 3.95 3.95 3.95
Calcined
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
AFO
AIP04-41
AllOP P112i (No. 4) unique axis c a = 9.7179 A b = 13.7915 A c = 8.3591 A a = 90” p = 90” y = 110.6” X-ray Rietveld refinement, Rexp = 0.023, Rwp = 0.164,
RF = 0.074, RI = 0. 11 1
R. M. Kirchner and J. M. Bennett, Zeolites 14, 523-528 (1994).
Atom All Al2 A13 A14 Al5 Pl P2 P3 P4 P5 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 017 018 019 020
X
0.562 0.852 0.725 0.826 0.580 0.548 0.859 0.713 0.828 0.561 0.449 0.543 0.708 0.518 0.835 -0.006 0.743 0.855 0.825 0.752 0.545 0.751 0.754 0.775 0.801 -0.022 0.744 0.534 0.546 0.464
Y 0.122 0.278 0.443 0.666 0.743 0.096 0.284 0.440 0.671 0.716 0.138 0.127 0.156 0.976 0.385 0.294 0.158 0.258 0.393 0.551 0.342 0.448 0.745 0.554 0.683 0.730 0.742 0.679 0.806 0.605
z 0.638 0.124 0.627 0.142 0.672 0.022 0.499 0.008 0.518 0.016 0.146 0.839 0.042 0.048 0.548 0.559 0.549 0.313 0.057 0.110 0.019 0.827 0.620 0.572 0.327 0.555 0.061 0.834 0.089 0.089
Biso
OCC
1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 3.0 3.0 3.0 3.0 3.0 3.0 3.0 3.0 3.0 3.0 3.0 3.0 3.0 3.0 3.0 3.0 3.0 3.0 3.0 3.0
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-802,
1996
655
Tetrapropylammonium
REFINED
(A132P320128).4N(C3H7
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
SAP0-40
j,
Pccn (No. 56) a = 21.9443 A b = 13.6911 A c = 14.2486 A CL = 90” p = 90” y = 90” X-ray Rietveld refinement, Rex,, = 0.149, R,, = 0.161, RF = 0.066 L. B. McCusker and Ch. Baerlocher, Microporous Materials, in press.
Atom
X
Y
.z
Biso
OCC
All Al2 Al3 Al4 Pl P2 P3 P4 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 N Cl c2 c3 c4 c5 C6 Hll H12 H21
0.0860 0.1778 -0.0119 0.0833 0.0858 0.1804 -0.0125 0.0836 0.0954 0.1471 0.0207 0.0812 0.1372 0.0265 0.0857 0.1751 0.2525 0.1454 0.1521 -0.0369 0.0341 -0.0741 0.0297 -0.0659 0.25 0.1994 0.1726 0.1186 0.2243 0.2730 0.2487 0.1665 0.2158 0.1580
0.1417 0.3624 0.3639 0.0482 0.3652 0.1295 0.1420 0.4489 0.2605 0.1050 0.1285 0.0682 0.3945 0.3770 0.4322 0.2388 0.4007 0.4190 0.0719 0.2460 0.3867 0.4414 0.1238 0.0720 -0.25 -0.2871 -0.2012 -0.2388 -0.1690 -0.1304 -0.0377 -0.3160 -0.3382 -0.1485
0.2174 0.0553 0.0615 -0.0764 0.2198 0.0587 0.0587 -0.0808 0.2514 0.1506 0.1529 0.3134 0.1554 0.1677 0.3036 0.0401 0.0687 -0.0410 -0.0229 0.0526 -0.0342 0.0607 -0.0260 0.0550 -0.0080 0.0541 0.1130 0.1727 -0.0669 -0.1357 -0.1838 0.0142 0.0972 0.0698
1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 5.53 5.53 5.53 5.53 5.53 5.53 5.53 4.74 4.74 4.74
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
continued. . .
656
Zeolites
l&323-602,
1996
Tetrapropylammonium . * . continued
from
previous
Atom H22 H31 H32 H33 H41 H42 H51 H52 H61 H62 H63
AFR
SAPO-40
page X
0.2049 0.1332 0.0863 0.1014 0.2107 0.1886 0.3111 0.2819 0.2307 0.2165 0.2828
Y -0.1744 -0.2913 -0.2656 -0.1836 -0.1145 -0.1940 -0.1145 -0.1812 0.0069 -0.0559 -0.0035
z 0.1552 0.2160 0.1304 0.2103 -0.0250 -0.1032 -0.1004 -0.1841 -0.1353 -0.2303 -0.2167
&so 4.74 4.74 4.74 4.74 4.74 4.740 4.74 4.74 4.74 4.74 4.74
occ 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Hydrogen positions are calculated.
Zeolites
16:323-902,
1996
657
AFS
Di-n-propylamine
REFINED
COMPOSITION: CRYSTAL
(AlzsPzs01r2).6C4N
DATA:
P3cl (No. 158) a. = 13.2251 A b = 13.2251 A c = 26.8922 A y = 120° a = 90” p = 90” X-ray single crystal refinement, R, = 0.119 J. M. Bennett and B. K. Marcus, In “Innovations in Zeolite Material Science (Stud. Surf. Sci. Catal. No. 37)“, Grobet, P. J., Mortier, W. J., Vansant, E. F., Schulz-Ekloff, G., Eds. Elsevier: Amsterdam; pp. 269-279 (1987). And J. M. Bennett, Private Communication.
REFERENCE:
Atom All Al2 Al3 Al4 Al5 Al6 Pl P2 P3 P4 P5 P6 012 016 021 022 0231 023 032 0321 033 034 043 044 045 0451 054 0541 055 056 061 065 Cl Cl1 c21 c2 N
658
Zeolites
16:323-802,
MAPS0-46
1996
X 0.00000
0.46967 0.19875 0.46726 0.19352 0.66667 0.66667 0.19862 0.46965 0.20093 0.46960 0.00000 0.9846 0.0000 0.6875 0.7350 0.9192 0.7826 0.1515 0.1910 0.3389 0.1638 0.8976 0.3218 0.5189 0.4884 0.1405 0.1867 0.7279 0.9997 0.6666 0.7979 0.2968 0.0527 0.3242 0.9726 0.3242
Y 0.00000 0.31584 0.96524 0.11576 0.17290 0.33333 0.33333 0.18082 0.10767 0.96592 0.31962 0.00000 0.1174 0.0000 0.2336 0.0649 0.4727 0.2713 0.2587 0.0927 0.9936 0.2199 0.5052 0.0036 0.4365 0.2442 0.2616 0.0777 0.0750 0.8889 0.3333 0.4676 0.1621 0.3242 0.4316 0.7011 0.0800
0.0&57 0.13168 0.18925 0.30775 0.36246 0.43950 0.06039 0.13165 0.19050 0.30722 0.36555 0.43771 0.5852 0.9957 0.0819 0.1160 0.1661 0.1759 0.1616 0.1748 0.1796 0.7555 0.7477 0.3158 0.3483 0.3316 0.3398 0.3187 0.3741 0.4222 0.0081 0.4151 0.5117 0.4726 0.9472 0.5117 0.4863
Biso 1.55 2.55 1.04 1.42 1.46 1.39 1.22 1.62 1.02 1.73 1.16 1.6 1.75 2.49 1.36 1.02 2.29 1.91 2.65 1.96 2.58 3.21 1.74 1.95 1.15 2.85 1.76 2.29 2.09 2.66 2.85 2.54 4.0 4.0 4.0 4.0 4.0
OCC
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Calcined,
REFINED
COMPOSITION: CRYSTAL
DATA:
partially
AFT
AIP04-52
A136P360144 P%c
(No.
163)
a = 13.715 A a = 90” X-ray Rietveld REFERENCE:
rehydrated
b = 13.715 A c = 29.676 A p = 9o” y = 120” refinement, Rexp = 0.130, R,, = 0.197, R, = 0.173
N. K. McGuire, C. A. Bateman, C. S. Blackwell, S. T. Wilson and R. M. Kirchner, Zeolites 15, 460-469 (1995).
Atom All Al2 Al3 Pl P2 P3 01 02 03 04 05 06 07 08 09 010 011 012
X
0.231 0.341 0.435 0.225 0.339 0.435 0.267 0.234 0.097 0.317 0.344 0.362 0.445 0.223 0.302 0.472 0.550 0.394
Y 0.000 0.445 0.326 0.223 0.448 0.329 0.007 0.125 -0.103 -0.026 0.413 0.354 0.581 0.453 0.323 0.224 0.452 0.318
2
Biso
occ
0.198 0.469 0.635 0.202 0.368 0.534 0.253 0.182 0.195 0.163 0.414 0.503 0.477 0.487 0.170 0.648 0.651 0.580
1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-802.
1996
659
SAP046 REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
A124P24096 Pslc (No. 163) a = 13.7617 A b = 13.7617 8, c = 19.949 A a! = 90” y = 120” p = 90” X-ray Rietveld refinement, Rex,, = 0.068, R,, = 0.219 N. K. McGuire. C. S. Blackwell, C. A. Bateman, and R. M. Kirchner, Private communication.
Atom All Al2 Pl P2 01 02 03 04 05 06 07 08
660
Zeolites
16:323-802.
1996
X 0.001
0.338 0.107 0.231 -0.126 0.105 0.024 0.013 0.231 0.095 0.073 0.319
Y
z
&so
occ
0.225 0.439 0.441 0.229 0.112 0.189 0.348 0.277 0.469 0.54 0.4 0.323
0.077 0.173 0.179 0.079 0.104 0.093 0.119 -0.006 0.159 0.143 0.242 0.125
1.185 1.185 1.422 1.422 1.974 1.974 1.974 1.974 1.974 1.974 1.974 1.974
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
S. T. Wilson
Di-n-propylamine
REFINED
COMPOSITION: CRYSTAL
AFY
CoAPO-50
(AlsCozPsOsz).6C4N
DATA:
Ps (No. 147) a = 12.7468 A b = 12.7468 A c = 9.0153 A a = 90” p = 90” y = 120” X-ray single crystal refinement, R, = 0.071
REFERENCE:
J. M. Bennett and B. K. Marcus, In “Innovations in Zeolite Material Science (Stud. Surf. Sci. Catal. No. 37)“, Grobet, P. J., Mortier, W. J., Vansant, E. F., Schulz-Ekloff, G. Eds. Elsevier: Amsterdam: pp. 269-279 (1987). and J. M. Bennett. Private Communication.
Atom Al co Pl P2 031 032 011 012 014 02 Cl Cl1 c2 c21 N
X
Y
2
Biso
OCC
0.85585 0.33333 0.66667 0.32138 0.85934 0.39760 0.54705 0.20298 0.33333 0.35660 0.40093 0.21931 0.46509 0.34138 0.28549
0.32535 0.66667 0.33333 0.86415 0.44164 0.20587 0.23176 0.50794 0.66667 0.99417 0.40351 0.21598 0.00622 0.32934 0.01616
0.40999 0.18423 0.19314 0.38454 0.52440 0.52481 0.25047 0.24269 --0.02687 0.35229 0.07477 0.20291 0.04137 0.23073 0.90866
0.09 0.24 0.23 0.23 0.29 0.39 0.45 0.36 0.36 0.44 8.9 10.03 14.41 17.57 20.45
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-602,
1996
661
AHT
AlPOd - H2
REFINED
COMPOSITION: CRYSTAL
(AlcPs024).8H2O
DATA:
REFERENCE:
P1121 (No. 4) unique axis c a = 9.486 A b = 9.914 A cl = 90” p = 90” X-ray Rietveld refinement, R,, J. B. Higgins, Private Communication.
Atom All Al2 Al3 Pl P2 P3 01 02 03 04 05 06 07 08 09 010 011 012 H201 Hz02 Hz03 ifi204
662
Zeolites
16:323-802,
1996
c = 8.126 A y = 121.49” = 0.127
2 0.0
0.347 0.348 0.007 0.366 0.373 0.014 0.0 0.229 0.419 0.352 0.512 0.16 -0.229 0.406 0.362 0.525 -0.138 0.016 -0.045 0.262 0.752
Y 0.215 0.303 0.037 0.094 0.349 0.038 0.067 0.116 0.347 0.234 0.333 0.523 0.254 0.112 0.166 0.035 0.038 0.097 0.277 0.384 0.615 0.408
z
&so
occ
0.139 0.664 0.134 0.526 0.064 0.537 0.013 0.337 0.165 0.112 0.876 0.067 0.576 0.111 0.661 0.348 0.605 0.608 -0.097 0.196 0.365 0.265
1.263 1.263 1.263 1.263 1.263 1.263 2.052 2.052 2.052 2.052 2.052 2.052 2.052 2.052 2.052 2.052 2.052 2.052 1.815 1.815 2.607 2.607
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
ANA
Analcime
REFINED
COMPOSITION:
CRYSTAL
Na~~(Si32AI~s0~6).16Hz0 Cyclopean Islands, Greece.
DATA:
REFERENCE:
I&d (No. 230) a = 13.73 A b = 13.73 A c = 13.73 A Q = 90” p = 90” y = 90” Neutron single crystal refinement, R = 0.04 G. Ferraris, D. W. Jones and J. Yerkess, Z. Kristallogr.? 135, 240-252 (1972).
Atom Nal Sil All 01 Hl H2 02
01 z-coordinate
2
0.125 0.66208 0.66208 0.10428 0.0791 0.1402 0.125
Y 0.0 -0.41208 -0.41208 0.13440 0.0791 0.1006 0.125
Z
Go
occ
0.25 0.125 0.125 0.71932 0.0791 0.0548 0.125
0.32 0.14 0.14 0.29 1.05 0.83 0.69
0.6667 0.6667 0.3333 1.0 0.25 0.25 1.0
changed from 0.21932 to 0.71932.
Zeolites
16:323-602,1996
663
APC
Hydrated
REFINED COMPOSITION:
AlPOd-C
(A116P16064).16H20.08
CRYSTAL DATA:
Pbca (No. 61) a = 19.3525 a Q = 90”
b = 9.7272 A p = 90”
X-ray single crystal refinement, REFERENCE:
c = 9.7621 ii y = 90” R = 0.033
J. J. Pluth and J. V. Smith, Acta Cryst. C42, 1118-1120 (1986). Atom All Al2 Pl P2 01 02 03 04 05 06 07 08 Hl H2 H3 H4 09 010 011
X
Y
0.44808 0.28207 0.44769 0.29050 0.37433 0.46047 0.49520 0.46889 0.27397 0.36522 0.28329 0.25855 0.15752 0.16096 0.28123 0.30108 0.18446 0.30512 0.11929
0.08470 0.33224 0.34071 0.06565 0.3765 0.1662 0.4497 0.2004 0.0582 0.0190 0.2158 0.4758 0.2988 0.2574 0.1025 0.1902 0.2831 0.1730 0.1440
z 0.32419 0.14654 0.13498 0.33879 0.1701 0.4804 0.1971 0.1942 0.4913 0.3136 0.2953 0.2592 0.0523 0.1883 0.0541 0.9490 0.1193 0.0340 0.3627
Biso 0.23 0.21 0.22 0.21 0.39 0.45 0.42 0.34 0.29 0.42 0.34 0.29 5.26 3.95 1.74 1.42 0.58 0.39 1.5
OCC
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
The third water molecule (011) is missing hydrogen atoms.
664
Zeolites
16:323-802,
1996
Dehydrated
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
APC
AlPOd-C
A116P16064 Pbca (No. 61) a = 19.816 H, b = 10.047 H, Q = 90” p = 90” X-ray Rietveld refinement, R,,
c = a.935 A y = 90” = 0.17, RF = 0.051; At T = 100°C
E. B. Keller, W. M. Meier and R. M. Kirchner, Solid State Ionics 43, 93-102 (1990).
Atom All Al2 Pl P2 01 02 03 04 05 06 07 08
X
Y
z
0.455 0.297 0.456 0.293 0.384 0.465 0.500 0.476 0.280 0.370 0.278 0.249
0.160 0.423 0.424 0.145 0.465 0.143 0.539 0.317 0.110 0.124 0.284 0.560
0.360 0.197 0.206 0.346 0.222 0.546 0.238 0.323 0.506 0.313 0.297 0.241
Biso
OCC
0.3 1.5 2.7 0.3 9.0 0.7 1.5 0.5 1.3 5.1 0.1 3.3
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-802,
1996
665
APD
AlPOd-D
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
666
Zeolites
16:323-802,
1996
A116P160fi4 P~a2~ (No. 29) a = 19.187 i% b = 8.576 A cy = 90” 0 = 90” X-ray Rietveld refinement, R,,
c = 9.804 A 7 = 90” = 0.203, RF = 0.115; At T = 100°C
E. B. Keller, W. M. Meier and R. M. Kirchner, Solid State Ionics 43, 93-102 (1990).
Atom
X
All1 All2 A121 Al22 Pll P12 P21 P22 011 012 021 022 031 032 041 042 051 052 061 062 071 072 081 082
0.531 0.572 0.721 0.681 0.574 0.529 0.680 0.724 0.645 0.593 0.531 0.584 0.540 0.469 0.532 0.524 0.691 0.734 0.601 0.655 0.716 0.724 0.789 0.719
Y 0.065 0.574 0.074 0.572 -0.031 0.473 -0.051 0.453 0.035 0.526 0.284 0.784 0.017 0.518 0.018 0.557 0.773 0.278 -0.015 0.498 0.025 0.478 -0.010 0.539
,e
Biso
OCC
0.133 0.385 0.320 0.026 0.421 0.107 0.040 0.298 0.406 0.031 0.130 0.418 0.553 0.019 0.302 0.238 0.060 0.320 0.045 0.361 0.154 0.150 0.405 0.869
9.1 4.0 0.2 0.8 6.9 2.5 0.8 0.2 1.3 0.0 8.7 4.0 6.4 0.8 0r 1 0.8 4.0 8.0 0.7 9.4 0.8 0.8 0.8 6.2
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Quinuclidinium
REFINED
COMPOSITION: CRYSTAL
fluoride
octadecasil
(Si2aO~u)~C~.isFa.u7
DATA:
14/m (No. 87) a = 9.194 A b = 9.194 A a = 90” p = 90” X-ray single crystal refinement,
REFERENCE:
c = 13.396 A y = 90” R, = 0.039
P. Caullet, J. L. Guth, J. Hazm, J. M. Lamblin and H. Gies, Eur. J. Solid State Inorg. Chem. 28, 345-361 (1991).
Atom Sil Si2 01 02 03 Cl ca c3 c4 F
X
0.2303 0.5 0.3724 0.3308 0.2883 0.05 0.13 0.00 0.14 0.0
Y 0.0387 0.0 0.0659 0.6201 0.0502 0.14 0.06 0.07 0.13 0.0
z
&so
occ
0.1137 0.25 0.1817 0.3583 0.0 0.5 0.41 0.37 0.16 0.0
0.61 0.47 0.96 1.27 1.36 11.91 14.5 3.87 6.15 2.91
1.0 1.0 1.0 1.0 1.0 0.151 0.184 0.049 0.078 0.037
Zeolites
16:323-802.
1996
667
AST
Quinuclidine
REFINED
COMPOSITION: CRYSTAL
(A120P2008~).4C7HujN
DATA:
F23 (No. 196) a = 13.3832 A b = 13.3832 A c = 13.3832 A a = 90” p = 90” y = 90” X-ray Rietveld refinement, R,, = 0.192, RF = 0.106
REFERENCE:
J. M. Bennett and R. M. Kirchner, Zeolites 11, 502-506 (1991).
Atom All Pl P2 Al2 01 02 03 N Cl c2 c3 c4 c5 C6 c7 Hll H12 H21 H22 H31 H32 H41 H42 H51 H52 H61 H62 H7
668
Zeolites
16:323-802,
AIP04-16
1996
X
0.1186 -0.1116 0.2500 -0.2500 -0.0078 0.1915 -0.1704 0.0560 0.0056 -0.0601 0.1159 0.0529 -0.0214 -0.0878 -0.0552 0.0566 -0.0351 -0.0382 -0.1300 0.1506 0.1686 0.0592 0.0772 -0.0626 0.0122 -0.1583 -0.0845 -0.0978
&so
Y
0.1186 0.1116 0.2500 0.2500 0.1285 0.1915 0.1704 0.4329 0.3916 0.4680 0.5193 0.5988 0.4689 0.5472 0.5662 0.3668 0.3331 0.4774 0.4437 0.5481 0.4965 0.6627 0.6110 0.4116 0.4970 0.5246 0.6099 0.6173
0.1186 0.1116 0.2500 0.2500 0.1495 0.1915 0.1704 0.0424 -0.0462 -0.0973 0.0103 -0.0393 0.1118 0.0646 -0.0418 -0.0939 -0.0261 -0.1673 -0.0995 0.0691
-0.0364 -0.0025 -0.1081 0.1344 0.1722 0.0658 0.1036 -0.0741
6.4 5.2 4.4 2.5 3.0 5.0 8.0 6.0 6.0 6.0 6.0 6.0 6.0 6.0 6.0 7.0 7.0 7.0 7.0 7.0 7.0 7.0 7.0 7.0 7.0 7.0 7.0 7.0
occ
1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833 0.0833
ATN
MAPO-39 REFINED
COMPOSITION: CRYSTAL
A18Ps032
DATA:
13 (No. 82) a = 13.09 A Q = 90” X-ray Rietveld
REFERENCE:
b = 13.09 A c = 5.18 A p = 90” y = 90” refinement, Rexp = 0.035, R,,
= 0.162, RF = 0.078
L. B. McCusker, G. 0. Brunner and A. F. Ojo, Acta Cry& A46, C-59 (1990) (15th. Congress of IUCr,
Atom Al P 01 02 03 04
2 0.37347 0.21367 0.31253 0.34946 0.50247 0.33498
Y 0.20776 0.38502 0.32522 0.14580 0.23689 0.13050
z 0.02050 0.02075 0.01541 0.30240 0.00421 -0.22195
&so 1.24 0.21 1.11 0.47 1.08 0.76
Bordeaux).
OCC
1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-602,
1996
669
AT0
Di-n-propylamine
REFINED
COMPOSITION: CRYSTAL
(A117.71P1A,67072).C14.76
RS (No. 148) hexagonal setting a = 20.839 A b = 20.839 A a = 90" p = 90"
DATA:
X-ray REFERENCE:
Al P 01
02 03 04 Cl
c2 c3
Zeolites
16:323-602,
single crystal
refinement,
c = 5.041 A y = 120”
Rwp = 0.018, RF = 0.051
W. H. Baur, W. Joswig, D. Kassner Acta Cryst. B50, 290-294 (1994).
Atom
670
SAPO-31
1996
2
Y
2
and J. Kornatowski,
@so
0.61736 0.47126
0.08455 0.0381 0.08774 0.1138
1.89 1.31
0.55134 0.42390 0.44586 0.46468 0.046 0.064 0.0
0.10711 0.00893 0.09533 0.14061 0.013 0.029 0.0
0.1317 0.0133
3.0 3.32 3.32 3.32
0.3880 0.9208 0.111
0.388 0.30
15.79 15.79 15.79
occ 0.984 0.926 1.0 1.0 1.0 1.0
0.46 0.25 0.33
ATS
MAPO-36 REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
Si2404s Cl 2/c 1 (No. 15) unique axis b, cell choice 1 a = 13.1483 A b = 21.5771 A c = 5.1639 A a = 90” p = 91.84” y = 90” X-ray Rietveld refinement, Rexp = 0.112, R,, = 0.135,
RF = 0.058
J. V. Smith, J. J. Pluth and K. J. Andries, Zeolites 13, 166-169 (1993).
Atom Sil Si2 Si3 01 02 03 04 05 06 07
X
0.619 0.314 0.617 0.690 0.500 0.622 0.354 0.500 0.645 0.811
Y
z
&so
occ
0.041 0.174 0.243 0.101 0.048 0.212 0.189 0.265 0.001 0.195
0.767 0.768 0.223 0.773 0.750 0.934 0.069 0.250 0.022 0.748
0.92 0.92 0.92
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
1.237 1.237 1.237 1.237 1.237 1.237 1.237
Zeolites
16:323-802,
1996
671
ATT
Tetramethylammonium
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
672
Zeolites
16:323-602,
1996
hydroxide
AlPOd-12-TAMU
(A113P12048).4C4N0 P21212 (No. 18) a = 10.3325 A b = 14.6405 A c = 9.5112 A cl = 90” p = 90” 7 = 90” X-ray Rietveld refinement, R,, = 0.19, RF = 0.17 P. R. Rudolf, C. Saldarriaga-Molina and A. Clearfield, J. Phys. Chem. 90, 6122-6125 (1986).
Atom
5
Y
z
Biso
OCC
All Al2 Al3 Pl P2 P3 01 02 03 04 05 06 07 08 09 010 011 012 Cl c2 c3 c4 Nl N2 013 014
0.354 0.366 0.349 0.339 0.354 0.343 0.338 0.311 0.482 0.249 0.318 0.370 0.485 0.244 0.300 0.337 0.482 0.254 -0.024 -0.131 -0.018 -0.129 0.000 0.000 0.000 0.000
0.608 0.896 0.249 0.770 0.112 0.415 0.696 0.864 0.758 0.764 0.137 0.012 0.168 0.143 0.506 0.349 0.412 0.381 0.089 -0.017 0.587 0.482 0.000 0.500 0.000 0.500
0.387 0.383 0.139 0.157 0.368 0.369 0.272 0.218 0.086 0.018 0.210 0.381 0.412 0.466 0.317 0.242 0.425 0.488 0.196 0.004 0.249 0.065 0.100 0.158 0.284 -0.024
3.0 3.0 3.0 4.8 4.8 4.8 4.3 4.3 4.3 4.3 4.3 4.3 4.3 4.3 4.3 4.3 4.3 4.3 13.1 13.1 13.1 13.1 13.1 13.1 13.1 13.1
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
ATV
AlPOd-25 REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
A1r2Pr204s Acmm (No. 67) Cba setting a = 9.4489 A b = 15.2028 A c = 8.4084 A Q = 90” p = 90” y = 90” Neutron Rietveld refinement, R,, = 0.041, RF2
=
0.133; At T = 593 K
J. W. Richardson, Jr., J. V. Smith and J. J. Pluth, J. Phys. Chem. 94, 3365-3367 (1990).
Atom All Al2 Pl P2 01 02 03 04 05 06
X
0.3535 0.1566 0.3535 0.1566 0.3017 0.5000 0.2317 0.3308 0.0000 0.1076
Y 0.0982 0.2500 0.0982 0.2500 0.0000 0.1275 0.1625 0.0971 0.2500 0.2500
z
Biso
OCC
0.1987 0.3142 0.1987 0.3142 0.2500 0.2500 0.2497 0.0000 0.2500 0.5000
2.63 0.92 2.63 0.92 1.95 2.08 2.53 2.95 1.84 5.76
0.5 0.5 0.5 0.5 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-802,
1996
673
AWW REFINED
Quinuclidine
( A1z4Pz40a6).
COMPOSITION: CRYSTAL
All Al2 Pl P2 01 02 03 04 05 06 Cl c2 c3 c5 C6 C8 c9 N P3 07 08
16:323-802,
1996
c = 15.463 ii y = 90” R = 0.18
J. W. Richardson, Jr., J. J. Pluth and J. V. Smith, Naturwiss. 76, 467-469 (1989). And J. J. Pluth, private communication (1990).
Atom
Zeolites
.4C7N
P4/ncc (No. 130) origin at i a = 13.628 A b = 13.628 k Q: = 90” p = 90” X-ray single crystal refinement.
DATA:
REFERENCE:
674
(PzOs.ds)
AIPOa-22
z 0.1360 0.4660 0.1354 0.6308 0.2565 0.4998 0.4258 0.5794 0.1060 0.599 0.250 0.282 0.274 0.227 0.219 0.250 0.250 0.250 0.250 0.164 0.276
Y 0.8640 -0.1419 0.8646 0.0185 -0.1166 -0.2584 -0.1044 -0.0795 -0.0629 0.0912 0.250 0.163 0.339 0.157 0.341 0.250 0.250 0.250 0.750 0.787 0.0852
z 0.2500 0.4284 0.7500 0.4214 0.2738 0.4317 0.3241 0.4309 0.1620 0.4905 0.739 0.389 0.389 0.302 0.302 0.249 0.298 0.4389 0.000 0.936 0.4213
Gso 0.63 0.843 0.737 0.79 1.08 1.107 1.37 1.343 1.5 2.683 12.633 12.633 12.633 12.633 12.633 12.633 12.633 12.633 0.87 0.71 5.267
occ 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.25 0.25 0.25 0.25 1.0 1.0 1.0 0.5 0.5 0.03
Beta,
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
polymorph
*BEA
A SiO, framework
$640128 P4r22 (No. 91) a = 12.661 A b = 12.661 A a = 90” p = 9o” DLS refinement.
c = 26.406 A y = 90”
J. M. Newsam, M. M. J. Treaty, W. T. Koetsier and C. B. deGruyter, Proc. Roy. Sot. (London) A420, 375-405 (1988).
Atom Sil Si2 Si3 Si4 Si5 Si6 Si7 Si8 Si9 010 011 012 013 020 021 022 030 031 032 040 041 050 051 052 060 061
X
0.33694 0.33711 0.71647 0.71656 0.95425 0.95434 0.14278 0.52836 0.52842 0.33623 0.33454 0.23433 0.44268 0.33456 0.23464 0.44301 0.71891 0.83544 0.64609 0.83559 0.64627 0.00000 0.95304 0.02844 0.00000 0.02874
Y 0.79277 0.54031 0.79300 0.54076 0.79364 0.54040 0.85722 0.85702 0.47158 0.66652 0.81732 0.84457 0.84276 0.51612 0.48822 0.49038 0.66690 0.83902 0.84874 0.49490 0.48518 0.82149 0.66702 0.84708 0.51256 0.48708
z
0.05619 0.05606 0.05872 0.05884 0.05555 0.05556 0.12500 0.12552 0.12500 0.06515 -0.00385 0.08279 0.08069 -0.00402 0.08264 0.08043 0.06809 0.06074 0.10222 0.06084 0.10242 0.00000 0.06321 0.09824 0.00000 0.09821
Zeolite beta is an intergrown material and *BEA represents the framework of a hypothetical end member. The P4322 (No. 95) topology can be generated by the coordinate transformation z -+ --z.
Zeolites
16:323-802,
1996
675
Beta,
REFINED
COMPOSITION: CRYSTAL
polymorph
si640128
DATA:
REFERENCE:
Cl 2/c 1 (No. 15) unique axis b, cell choice 1 a = 17.89654 A b = 17.92002 A c = 14.32815 A cl = 90” ,B = 114.803” y = 90” DLS refinement. J. M. Newsam, M. M. J. Treaty, W. T. Koetsier and C. B. deGruyter, Proc. Roy. Sot. (London) A420, 375-405 (1988).
Atom Sil Si2 Si3 Si4 Si5 Si6 Si7 Si8 Si9 010 013 012 013 020 021 022 030 031 032 033 040 041 051 052 060
X
0.60607 0.48332 0.79947 0.67495 0.91268 0.79042 0.50000 0.69528 0.50000 0.53355 0.64810 0.56790 0.67468 0.52172 0.38767 0.49034 0.73217 0.88292 0.76334 0.81946 0.70644 0.58064 0.83406 0.95542 0.76924
Zeolite beta is an inter-grown framework of a hypothetical
676
Zeolites
16:323-802.
B SiO, framework
1996
9 -0.02206 -0.14331 -0.21324 -0.33750 -0.33092 -0.45237 0.11084 -0.08286 -0.27723 -0.08379 -0.01901 0.05877 -0.04420 -0.14542 -0.11893 -0.22518 -0.27927 -0.24602 -0.14756 -0.18012 -0.42162 -0.32929 -0.38605 -0.33707 -0.52075
z 0.38112 0.37930 0.38677 0.38698 0.38275 0.38137 0.25000 0.25183 0.25000 0.34288 0.50530 0.33609 0.34022 0.50343 0.33454 0.33637 0.36034 0.38479 0.30231 0.49966 0.38400 0.30322 0.34599 0.30360 0.30078
material. Polymorph B represents end member of the beta family.
the
BIK
Bi kitaite
REFINED
COMPOSITION:
CRYSTAL
DATA:
Lil.ss(Si3.s9A12.13012).2H20 Bikita, Zimbabwe. Pl
(No.
1)
a = 8.6071 A
b = 4.9540 8, c = 7.5972 A a = 89.900” p = 114.437” y = 89.988’ Neutron single crystal refinement, R, = 0.056 REFERENCE:
K. Stbhl, A. Kvick and S. Ghose, Zeolites 9, 303-311 (1989).
Atom
X
Lil Li2 Sill Si12 Si22 Si23 All3 A121 011 012 013 014 015 016 021 022 023 024 025 026 Hll H12 H21 H22 017 027
0.3095 0.6995 0.1057 0.1038 0.8920 0.6187 0.3803 0.8985 0.2641 0.0830 0.1584 0.0557 0.2612 0.4496 0.7311 0.9283 0.8414 0.9378 0.7318 0.5593 0.3230 0.4870 0.6853 0.5214 0.4083 0.5991
Y 0.3657 0.8655 0.8645 0.8006 0.2984 0.3748 0.8749 0.3639 0.7404 0.1853 0.8281 0.4868 0.8920 0.1940 0.2433 0.7021 0.3281 0.9872 0.3929 0.6797 0.2849 0.1784 0.7872 0.6763 0.3224 0.8225
2
B.150
occ
0.1469 0.8722 0.0975 0.5049 0.4877 0.0630 0.9374 0.9065 0.0569 0.0413 0.3279 0.5173 0.6947 0.0282 0.9552 0.9708 0.6655 0.4657 0.2966 0.9807 0.4786 0.4863 0.5420 0.5343 0.4347 0.5871
1.07 1.36 0.42 0.51 0.53 0.41 0.58 0.58 0.85 0.97 1.49 1.50 1.34 0.88 0.85 0.98 1.52 1.45 1.29 0.85 5.96 5.21 6.35 5.28 2.35 2.35
0.91 0.947 0.957 0.981 0.981 0.975 1.061 1.066 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-602,
1996
677
BOG
Boggsite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
Atom Sil Si2 Si3 Si4 Si5 Si6 All Al2 A13 Al4 A15 Al6 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 Hz01 Hz02 Hz03 Hz04 HZ05 Hz06 Ha07 Hz08 Hz09 Hz010 Ha011
678
Zeolites
16:323-802,
1996
(Si77.76A11s,240192).137.04H20 Goble area, Oregon. U.S.A. Imma (No. 74) a = 20.236 A b = 23.798 A /.3 = 90” CY= 90” X-ray single crysta.1 refinement?
c = 12.798 A y = 90”
R, = 0.094
J. J. Pluth and J. V. Smith, Am. Mineral. 75, 501-507 (1990).
2
0.18881 0.19006 0.07689 0.07768 0.22108 0.12270 0.18881 0.19006 0.07689 0.07768 0.22108 0.12270 0.18820 0.11940 0.195000 0.190000 0.119400 0.089300 0.000000 0.000000 0.194400 0.097800 0.095900 0.200700 0.094900 0.250000 0.250000 0.000000 0.193600 0.193000 0.107400 0.000000 0.000000 0.056200 0.043100 0.149000 0.106000 0.206000
Y 0.18550 0.02407 0.18517 0.022100 0.083000 0.083710 0.18550 0.02407 0.18517 0.02210 0.08300 0.08371 0.250000 0.170700 0.145600 0.070200 0.031900 0.250000 0.173800 0.026300 0.037900 0.146400 0.072500 0.080000 0.039500 0.175500 -0.037500 0.173500 0.170100 0.250000 0.175400 0.175000 0.028400 0.114700 0.081200 0.250000 0.250000 0.250000
2
0.67190 0.32970 0.83570 0.164300 0.537800 0.965600 0.67190 0.32970 0.83570 0.16430 0.53780 0.96560 0.629100 0.732200 0.567900 0.423600 0.272200 0.873100 0.804300 0.196800 0.620400 0.932700 0.081300 0.968200 0.884700 0.750000 0.750000 0.136000 0.203000 0.057000 0.372000 0.570000 0.429000 0.410000 0.626000 0.237000 0.086000 0.401000
&so 1.38 1.54 1.29 1.41 1.35 1.35 1.38 1.54 1.29 1.41 1.35 1.35 2.37 2.67 2.76 2.85 2.85 2.22 2.46 3.15 4.26 3.09 3.48 5.61 3.63 3.15 3.39 55.26 37.89 19.74 33.96 113.7 26.07 19.74 21.33 14.22 15.0 34.74
occ 0.81 0.81 0.81 0.81 0.81 0.81 0.19 0.19 0.19 0.19 0.19 0.19 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.85 1.35 0.92 1.16 3.2 0.91 0.63 0.77 0.5 0.61 1.32
BPH
Beryllophosphate-H
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
Nas.3sK5.4g(Bel4P140~s).30.48H20 P321 (No. 150) a = 12.5815 A b = 12.5815 A cl = 90” p = 90” X-ray Rietveld refinement, R,,
c = 12.4508 f% y = 120” = 0.192, RF = 0.106
G. Harvey, Ch. Baerlocher and T. Wroblewski, Z. Kristallogr. 201, 113-123 (1992).
Atom
2
Nal Na2 Kl K2 Be1 Be2 Be3 Pl P2 P3 01 02 03 04 05 06 07 08 09 010 Hz01 Hz02 Hz03 H&4 H205
0.3333 0.184 0.6260 0.5230 0.6667 0.3576 0.6996 0.3333 0.4907 0.5609 0.5696 0.3333 0.4332 0.4078 0.5869 0.4231 0.4102 0.5842 0.6548 0.5705 0.406 0.079 0.045 0.044 0.647
Y 0.6667 0.164 0.0000 0.0000 0.3333 0.4981 0.5607 0.6667 0.3534 0.6992 0.3736 0.6667 0.5920 0.4054 0.8005 0.7992 0.2168 0.4242 0.6592 0.7509 0.282 -0.070 0.237 0.168 0.622
z
0.502 0.317 0.5000 0.0000 0.1311 0.2681 0.3819 0.1199 0.2699 0.3793 0.1701 -0.0013 0.3659 0.2520 0.2973 0.1584 0.2954 0.3611 0.3646 0.4945 -0.002 0.160 -0.116 0.515 0.129
BiSO occ 1.02 14.28 1.02 13.59 0.09 3.09 0.33 0.08 1.74 1.11 3.24 2.46 0.09 0.09 3.72 0.96 0.09 1.74 2.85 1.65 7.41 18.54 12.0 9.09 10.65
1.0 1.06 1.0 0.83 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.25 0.83 1.06 1.02 0.92
Zeolites
16:323-802,
1996
679
BRE
Brewsterite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
680
Zeolites
16:323-802,
1996
Ba~.~~Sr~,~s(Si~~A1~0~~)~10H~O Strontian, Argyll, Scotland. Pl 21/m 1 (No. 11) unique axis a = 6.793 A b = 17.573 A a = 90” p = 94.54” X-ray single crystal refinement,
b c = 7.759 A y = 90” R, = 0.06
J. L. Schlenker, J. J. Pluth and J. V. Smith, Acta Cryst. B33, 2907-2910 (1977).
Atom
2
Ba Sr Sil Si2 Si3 Si4 All Al2 Al3 Al4 01 02 03 04 05 06 07 08 09 Hz01 Hz02 Hz03 Hz04
0.2501 0.2501 0.3218 0.4054 0.5553 0.9087 0.3218 0.4054 0.5553 0.9087 0.3501 0.4218 0.7825 0.4500 0.0850 0.2228 0.3851 0.0000 0.5718 0.0598 0.9286 0.5996 0.0665
Y 0.2500 0.2500 0.0812 0.0566 0.1582 0.0528 0.0812 0.0566 0.1582 0.0528 0.1059 0.1240 0.1211 0.1408 0.0920 0.9966 0.9921 0.0000 0.2500 0.2500 0.1474 0.2500 0.2500
.z 0.1780 0.1780 0.8224 0.2108 0.5336 0.6410 0.8224 0.2108 0.5336 0.6410 0.0283 0.3607 0.5454 0.7150 0.7615 0.2388 0.7952 0.5000 0.4994 0.4699 0.1518 0.0241 0.8660
&I3 1.19 1.19 1.1 1.2 1.09 1.01 1.1 1.2 1.09 1.01 1.78 2.32 1.93 1.99 2.33 2.76 1.83 3.19 2.81 4.14 5.6 4.39 4.25
occ 0.26 0.74 0.75 0.75 0.75 0.75 0.25 0.25 0.25 0.25 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
CAN
Cancrinite
REFINED
COMPOSITION:
CRYSTAL
Nas(SisAls024).1.2COs.2HzO Synthetic crystal. P63 (NO. 173) a = 12.635 A b = 12.635 A ff = 90” p = 90” X-ray single crystal refinement,
DATA:
REFERENCE:
c = 5.115 A y = 120” R = 0.04
Y. I. Smolin, Y. F. Shepelev, I. K. Butikova Kristallografiya 26, 63-66 (1981).
Atom Nal Na2 Si Al 01 02 03 04 C 05 H20
2
Y
z
&so
occ
0.6667 0.1254 0.3300 0.0772 0.2019 0.1157 0.0329 0.3161 0.0 0.1179 0.378
0.3333 0.2521 0.4115 0.4121 0.4035 0.5619 0.3526 0.3582 0.0 0.0603 0.701
0.1354 0.2943 0.7500 0.75 0.6586 0.7248 0.0588 0.0486 0.173 0.173 0.179
1.86 1.21 0.32 0.27 0.56 0.74 0.69 0.72 3.27 1.57 5.28
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.595 0.6 0.333
and I. B. Kobyakov,
Zeolites
16:323-802,
1996
681
CAN
Tiptopite
REFINED
COMPOSITION:
CRYSTAL
(Li2.aNai,7KzCa.e7)Bes(P04)606 Tip Top Mine. Custer, S. Dakota.
DATA:
P63 (No. 173) a = 11.655 A b = 11.655 A cl = 90” ;j = 90” X-ray single crystal refinement,
REFERENCE:
D. R.. Peacor, Am. Mineral.
Atom Li Na K Ca Be P 01 02 03 04 05 06 07 08
05 represents
682
Zeolites
16:323-802,
1996
c = 4.692 ii y = 120” R, = 0.048
R. C. Rouse and J. H. .4hn, 72, 816-820 (1987).
X
Y
2
0.2207 0.2207 0.3333 0.2207 0.338 0.0851 0.1902 0.1378 0.0547 0.3302 0.0000 0.064 0.066 0.168
0.1137 0.1137 0.6667 0.1137 0.418 0.4167 0.3843 0.5647 0.3801 0.3747 0.0000 0.130 0.130 0.322
0.7486 0.7486 0.253 0.7486 0.746 0.7500 0.6518 0.7027 0.0688 0.0862 0.253 0.378 0.097 0.236
a hydroxyl
U.S.A.
(OH)
Biso 2.32 2.32 2.04 2.32 0.63 0.5 0.97 0.75 0.95 0.65 2.67 1.58 1.58 1.58
in the channel.
occ
0.483 0.283 1.0 0.1167 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.25 0.25 0.17
CM
Cs-Aluminosilicate
REFINED
COMPOSITION: CRYSTAL
Cs3,2s(Si2404s)
DATA:
Ama (no. 40) a = 16.776 A
b = 13.828 A a! = 90” p = 90” X-ray single crystal refinement, REFERENCE:
T. Araki, Z. Kristallogr.
Atom CS Sil Si2 Si3 01 02 03 04 05 06 07
Coordinates
z
Y
0.2500 0.05281 0.15709 0.08952 0.00000 0.25000 0.12235 0.09931 0.02323 0.11123 0.14838
converted
152, 207-213
0.20406 0.74134 0.42622 0.02677 0.00000 0.41029 0.32339 0.14024 0.73969 0.45939 0.00661
from Bbm2
c = 5.021 H, y = 90”
R, = 0.0549
(1980).
2 0.00000
0.04651 0.41971 0.40524 0.31644 0.35466 0.51936 0.48097 0.35550 0.15344 0.15333
@so 4.665 1.469 1.404 1.444 2.851 4.888 3.97 3.014 2.718 4.334 2.614
occ 0.814 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
(bai?) setting.
Zeolites
16:323-802,
1996
683
CHA
Chabazite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
K4.16(Sis.16A13.s4024).7.23H20 North East Azerbaijan, Iran. Rzrn (No. 166) rhombohedral setting a, = 9.459 A b = 9.459 H, c = 9.459 A Q = 94.07” ;3 = 94.07” y = 94.07” X-ray single crystal refinement, R = 0.05 M. Calligaris, G. Nardin and L. Randaccio, Zeolites 3. 205-208 (1983).
Atom Kl K2 K3 Si Al 01 02 03 04 H201 H202 Hz03
684
Zeolites
16:323-802.
1996
X
0.2222 0.5611 0.5255 0.1033 0.1033 0.2665 0.1506 0.2503 0.0204 0.0 0.7387 0.4469
Y 0.2222 0.5611 0.5255 0.3331 0.3331 -0.2665 -0.1506 0.2503 0.0204 0.50 0.7387 0.4469
z
&so
occ
0.2222 0.2506 0.1064 0.8743 0.8743 0.0 0.5 0.8930 0.3193 0.50 0.4784 0.2260
0.529 2.277 2.5 0.223 0.223 0.579 0.52 0.559 0.406 3.2 2.0 3.2
0.97 0.15 0.22 0.68 0.32 1.0 1.0 1.0 1.0 0.61 0.77 0.13
Methylbutylamine
REFINED
COMPOSITION: CRYSTAL
SAPO-47
(A15.47P5.37024) .2.06CsN
DATA:
REFERENCE:
R3 (No. 148) rhombohedral setting a = 9.3834 A b = 9.3834 A c = 9.3834 A CY= 94.085" /3 = 94.085" y = 94.085' X-ray single crystal refinement, R, = 0.068 J. J. Pluth and J. V. Smith, J. Phys. Chem. 93, 6516-6520
Atom Al P 01 02 03 04 Cl c2 c3 c4 c5 N
X
0.09888 0.33245 0.2580 0.1519 0.2542 0.0291 -0.132 0.112 0.189 0.334 0.449 0.009
(1989).
Y
.z
Biso
occ
0.33196 0.10847 -0.2704 -0.1445 0.2460 0.0104 0.524 0.492 0.353 0.382 0.303 0.480
0.87510 0.87466 -0.0127 0.4911 0.8876 0.3178 0.500 0.440 0.424 0.359 0.439 0.551
1.2 1.176 2.763 2.424 2.779 3.008 17.92 31.9 31.9 31.9 31.9 17.92
0.912 0.895 1.0 1.0 1.0 1.0 0.344 0.344 0.344 0.344 0.344 0.344
Zeolites
16:323-802,
1996
685
-CHI
Chiavennite
REFINED
COMPOSITION:
CRYSTAL
Ca4Mn4[(BeOH)4SiizOs2] .4H20 Val di San Giacomo, Chiavenna,
DATA:
Parub
29) cab setting b = 31.326 A cy= 90” ,3 = 9o” X-ray single crystal refinement,
a =
REFERENCE:
Atom
Zeolites
16:323-802,
1996
(No.
8.729
A
c = 4.903 A “i = 90” R = 0.041
V. Tazzoli, M. C. Domeneghetti, Eur. .J. Mineral. 1995 (in press).
Ca IMn Sil Si2 Si3 Be 01 02 03 04 05 06 07 08 OH Hz0
686
Italy
X
0.25000 0.00000 0.25000 0.58376 0.14247 -0.00037 0.13917 0.15170 0.04143 0.25000 0.25000 0.25000 0.07997 0.00055 0.01254 0.15815
Y 0.08789 0.00000 0.00131 0.23216 -0.13511 0.05722 -0.02785 0.03243 0.23906 -0.24779 -0.11875 -0.13872 -0.18239 -0.10438 0.05814 0.14739
F. Mazzi and E. Cannillo
L.
Biso
OCC
0.00000
1.45 1.20 0.98 1.46 1.53 0.69 1.22 1.21 3.23 2.25 6.10 0.28 2.70 1.63 1.63 2.93
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
0.00000
0.50000 0.10475 0.24360 --0.42986 0.31336 --0.29572 0.13475 0.00000 0.00000 0.50000 0.17734 0.27050 0.24296 0.26022
-CL0
Cloverite
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
(Ga7ssP7ss03072).F192096 Fm3c (No. 226) a = 51.7120 A b = 51.7120 A c = 51.7120 A a = 90” p = 90” y = 90” X-ray single crystal refinement, R, = 0.076 M. Estermann, L. B. McCusker, Nature 352, 320-322 (1991).
Ch. Baerlocher,
Atom
X
Y
z
&so
occ
Gal Ga2 Ga3 Ga4 Ga5 Pl P2 P3 P4 P5 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 017 018 019 Fl F2
0.1341 0.0370 0.0958 0.0 0.0 0.0888 0.0 0.0 0.1336 0.0446 0.0800 0.1059 0.1036 0.0657 0.1360 0.1339 0.1631 0.0237 0.0 0.0 0.0521 0.0242 0.0 0.1091 0.0675 -0.0289 0.0283 0.0 0.0 0.1335 0.0
0.3275 0.3507 0.3654 0.3242 0.3415 0.3656 0.3226 0.3876 0.3210 0.3097 0.3669 0.3885 0.3404 0.3679 0.3124 0.2970 0.3439 0.3376 0.3158 0.2979 0.3286 0.3795 0.3738 0.3344 0.3692 0.3436 0.3231 0.4161 0.3461 0.3664 0.3325
0.2780 0.3134 0.2236 0.2140 0.3801 0.2818 0.2769 0.3414 0.2180 0.3556 0.2542 0.2891 0.2866 0.2999 0.2458 0.2951 0.2914 0.2830 0.2475 0.2916 0.3360 0.3277 0.3670 0.2142 0.2010 0.2115 0.3764 0.3461 0.4150 0.25 0.3297
1.098 1.382 1.105 1.184 2.487 1.358 0.742 1.153 0.616 0.955 2.771 1.413 2.448 1.587 3.995 1.437 4.572 3.427 1.2 2.045 4.24 3.948 3.119 3.206 2.258 2.795 3.119 1.169 5.993 1.729 2.037
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
A. Merrouche
Zeolites
and H. Kessler,
16:323-802,
1996
687
CON
CIT-1
REFINED
CoMPosITIoN:
CRYSTAL
s&j60112 SSZ-33/SSZ-26
DATA:
REFERENCE:
Zeolites
16:323-802,
Polymorph
B SiOz framework.
Cl 2/m 1 (No. 12) unique axis b, cell choice 1 a = 22.6242 A b = 13.3503 A c = 12.3642 A ct = 90” ,!3 = 68.913” y = 90” X-ray Rietveld refinement, R,, = 0.136, RF = 0.106 R. F. Lobo and M. E. Davis, J. Am. Chem. Sot. 117, 3766-3779
Atom Sil Si2 Si3 Si4 Si5 Si6 Si7 08 09 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015
688
family,
1996
X
0.0677 0.1567 0.0734 0.2879 0.2770 0.0738 0.1480 0.0763 0.0784 0.1205 0.0000 0.2185 0.1097 0.1728 0.0852 0.0003 0.1271 0.3045 0.2721 0.3442 0.2102 0.3046 0.0873 0.0837
Y 0.1102 0.1889 0.1204 0.1171 0.1141 0.1195 0.1898 0.0000 0.1380 0.1669 0.1458 0.1200 0.1569 0.3005 0.0000 0.1379 0.1859 0.0000 0.1330 0.1888 0.1217 0.0000 0.0000 0.1783
(1994).
z
Biso
OCC
0.4914 0.2510 0.7390 0.1026 0.8607 0.1043 0.8835 0.4256 0.6085 0.3814 0.5000 0.2009 0.1860 0.2109 0.7309 0.8223 0.7717 0.1272 0.9904 0.0983 0.8382 0.8219 0.1087 0.9900
1.48 1.48 1.48 1.48 1.48 1.48 1.48 1.42 1.42 1.42 1.42 1.42 1.42 1.42 1.42 1.42 1.42 1.42 1.42 1.42 1.42 1.42 1.42 1.42
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
SSZ-33/SSZ-26
REFINED
COMPOSITION: CRYSTAL
DATA:
familv,
A SiO:, framework
Si5sO112
Pmna (No. 53) a = 13.26 A b = 12.33 H, Q = 90”
REFERENCE:
Polvmorph
c = 21.08 8, y = 90”
p = 90”
R. F. Lobo, M. Pan, I. Chan, H-X. Li, R. C. Medrud, and M. E. Davis. Science, 262, 1543 (1993).
Atom
X
Y
z
Sil Si2 Si3 Si4 Si5 Si6 Si7 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 017
0.111 0.114 0.211 0.113 0.198 0.112 0.116 0.192 0.123 0.129 0.000 0.150 0.184 0.000 0.311 0.117 0.000 0.134 0.190 0.314 0.137 0.000 0.141 0.000
0.208 0.158 0.030 0.463 0.359 0.960 0.711 0.148 0.168 0.336 0.180 0.269 0.061 0.135 0.017 0.018 0.494 0.500 0.525 0.330 0.361 0.969 0.835 0.700
0.074 0.927 0.150 0.072 0.849 0.271 0.278 0.117 0.002 0.078 0.099 0.895 0.903 0.908 0.181 0.204 0.091 0.000 0.118 0.836 0.783 0.299 0.263 0.298
SSZ-33/SSZ-26 represents a family of intergrown materials. framework is a hypothetical end member of the family.
S. I. Zones, P. A. Crozier
The polymorph
Zeolites
A
16:323-802,
1996
689
DAC
Dachiardite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
690
Zeolites
16:323-802,
1996
Ko.s~Ca2.7s(Si19,2A14.8048).12H20 Elba, Italy. Cl 2/m 1 (No. 12) unique axis b, cell choice 1 a = 18.676 .k b = 7.518 A c = 10.246 A a = 90” ,!3 = 107.87” y = 90” X-ray single crystal refinement, R, = 0.06 G. Vezzalini, Z. Kristallogr.
Atom
X
K Ca Sill Si12 Si21 Si22 Si3 Si4 All1 All2 A121 Al22 Al3 Al4 01 02 031 032 04 05 06 07 08 09 Ha01 Hz02 Hz03 Hz04 Hz05
0.4544 -0.0091 0.2905 0.2846 0.1914 0.1929 0.0964 0.0816 0.2905 0.2846 0.1914 0.1929 0.0964 0.0816 0.3636 0.1162 0.2188 0.2382 0.1002 0.1688 0.3098 0.2335 0.2427 0.0103 -0.0084 0.0884 0.0694 0.0724 0.0860
166, 63-71 (1984).
Y 0.0 0.2598 0.2084 0.2053 0.2901 0.2978 0.0 0.0 0.2084 0.2053 0.2901 0.2978 0.0 0.0 0.3239 0.1770 0.2642 0.2370 0.0 0.5000 0.0 0.2452 0.2777 0.0 0.5 0.0 0.1037 0.3931 0.5000
z 0.4626 0.1297 0.1496 0.1660 0.3371 0.3714 0.7007 0.3793 0.1496 0.1660 0.3371 0.3714 0.7007 0.3793 0.2168 0.3265 0.2070 0.2652 0.5457 0.3487 0.1759 0.0131 0.5249 0.7080 0.2668 0.0330 0.0261 0.0258 0.0310
&so
10.3 7.8 1.2 1.1 1.3 1.0 1.1 1.2 1.2 1.1 1.3 1.0 1.1 1.2 3.3 3.1 2.4 4.3 4.3 4.0 3.5 3.2 2.9 1.9 5.4 6.7 7.5 6.5 6.0
occ
0.156 0.345 0.4 0.4 0.4 0.4 0.8 0.8 0.1 0.1 0.1 0.1 0.2 0.2 1.0 1.0 0.5 0.5 1.0 1.0 1.0 0.5 0.5 1.0 1.0 0.5 0.25 0.25 0.5
Nz, 1-aminoadamantane
REFINED
COMPOSITION: CRYSTAL
DATA:
Deca-Dodecasil
DDR
3R
(Si12002*0).Cs9Ns R%rz (No. 166) hexagonal setting b = 13.860 A c = 40.891 A a = 90” p = 90” y = 120” X-ray single crystal refinement, R, = 0.066
a = 13.860 A
REFERENCE:
H. Gies, Z. Kristallogr.
Atom Sil Si2 Si3 Si4 Si5 Si6 Si7 01 02 03 04 05 06 07 08 09 010 011 C512 Nl Cl c2 c3 c4 Nil Cl1 c21 c31 c41
2
0.7267 0.1264 0.2020 0.1227 0.2256 0.0000 0.0000 0.3576 0.2792 0.4067 0.2277 0.1767 0.3233 0.5401 0.2713 0.1780 0.1870 0.0000 0.5000 0.0000 0.0000 0.0596 0.0596 0.1192 0.0000 0.0000 0.0596 0.0596 0.1192
175, 93-104
(1986).
Y
z
So
occ
0.0511 0.2527 0.4039 0.2454 0.0000 0.0000 0.0000 0.3881 0.3749 0.2954 0.4554 0.3534 0.1616 0.2700 0.5426 0.3561 0.0000 0.0000 0.0000 0.0000 0.0000 0.1192 0.1192 0.0596 0.0000 0.0000 0.1192 0.1192 0.0596
0.0700 0.1095 0.1711 0.2325 0.0000 0.2039 0.1280 0.6358 0.5768 0.5889 0.6589 0.7447 0.5391 0.5494 0.5529 0.5230 0.5000 0.1661 0.5000 0.4455 0.4095 0.3954 0.3577 0.3438 0.2815 0.3175 0.3317 0.3694 0.3833
0.76 0.76 0.2 0.6 0.82 1.53 0.87 2.37 1.45 1.96 3.76 2.24 3.01 3.7 2.49 3.33 1.65 4.47 15.112 40.908 37.228 14.915 28.274 14.654 15.728 23.237 8.598 4.461 15.404
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.9 0.9 0.9 0.9 0.9 0.1 0.1 0.1 0.1 0.1
Zeolites
16:323-802,
1996
691
DFO
Decamethonium
REFINED
COMPOSITION: CRYSTAL
(Siis202a4).23C
DATA:
Atom Sil Si2 Si3 Si4 Si5 Si6 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 017 Cl c2 c3 c4 c5 C6
692
Zeolites
16:323-802,
PG/mmm (No. 191) a = 22.351 A b = 22.351 A Q = 90” p = 90” X-ray single crystal refinement,
c = 21.693 A y = 120” R, = 0.122
P. A. Wright, R. H. Jones, S. Natarajan, R. G. Bell, J. Chen, M. B. Hursthouse and J. M. Thomas, J. Chem. Sot. Chem. Comm. (1993).
REFERENCE:
Refined
DAF-1
x 0.0803 0.1471 0.0816 0.0811 0.1217 0.0782 0.0993 0.0923 0.1063 0.1306 0.1298 0.0847 0.0 0.1375 0.0 0.0 0.0 0.0953 0.2295 0.0935 0.2050 0.1293 0.0974 0.5 0.4453 0.5197 0.66667 0.6406 0.5949
in higher symmetry
1996
9 0.3024 0.4356 0.4710 0.4703 0.3812 0.2904 0.3514 0.3520 0.4430 0.4517 0.4794 0.3203 0.2363 0.2750 0.2285 0.4158 0.4188 0.4615 0.4590 0.5468 0.4101 0.2586 0.5487 0.0 0.0246 0.0394 0.33333 0.2811 0.2974
t 0.50000 0.1836 0.2940 0.0727 0.3706 0.2486 0.1995 0.4391 0.3533 0.1122 0.2351 0.3175 0.5 0.5 0.2361 0.879 0.2775 0.0 0.1903 0.3133 0.3678 0.2404 0.0867 0.5 0.5 0.4403 0.2688 0.3088 0.3129
Biso 1.87 1.88 1.8 2.27 1.97 2.05 3.71 4.1 3.48 3.49 4.37 3.98 3.29 4.37 2.88 4.33 3.55 3.76 3.45 2.78 2.8 2.8 4.36 11.84 11.84 11.84 11.84 11.84 9.67
space group (PG/mmm)
occ 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.3333 0.3333 1.0 0.3333 0.3333
with
disordered
T-sites.
Nz, Piperidine
REFINED
COMPOSITION: CRYSTAL
DATA:
(SisdOss)
Dodecasil
.15.4C
PG/mmm (No. 191) a = 13.783 A b = 13.783 A cl! = 90” p = 9o” X-ray single crystal refinement,
REFERENCE:
c = 11.190 A y = 120”
R, = 0.077
H. Gerke and H. Gies, Z. Kristallogr. 166, 11-22 (1984).
Atom Sil Si2 Si3 Si4 01 02 03 04 05 06 07 Cl c2 c3 c4 c5 C6 c7 C8 c9 Cl0 Cl1 Cl2 Cl3 Cl4 Cl5 Cl6
U33
1H
17: 0.4186 0.3868 0.2628 0.3333 0.1052 0.5429 0.3405 0.3601 0.1865 0.5 0.3333 0.333 0.381 0.309 0.230 0.0 0.092 0.122 0.0 0.140 0.0 0.038 0.040 0.041 0.085 0.0 0.199
Y
2
0.2093 0.0
0.2252 0.3627 0.0 0.1384 0.3031 0.8164 0.1139 0.5 0.0 0.3451 0.0 0.356 0.402 0.436 0.500 0.036 0.0 0.0 0.0 0.122 0.296 0.380 0.458 0.316 0.398 0.049 0.462
0.1314 0.6667 0.3933 0.2715 0.1702 0.0 0.0 0.0 0.6667 0.667 0.762 0.618 0.760 0.5 0.636 0.531 0.431 0.570 0.0 0.010 0.080 0.082 0.0 0.0 0.398
&so 2.12 2.36 1.63 1.95 6.49 5.56 4.38 4.49 4.0 7.25 10.14 10.26 10.26 10.26 10.26 10.26 10.26 10.26 10.26 10.26 10.26 10.26 10.26 10.26 10.26 10.26 10.26
occ 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1
for 01 changed from 0.7570 to 0.0757 when computing
Bi,.
Zeolites
16:323-602,
1996
693
EAB
Bell bergite
REFINED
COMPOSITION:
CRYSTAL
(K:!CasSrz)(Si1s.45All7.55072).30HzO Bellberg Volcano, Eifel, Germany.
DATA:
REFERENCE:
694
Zeolites
16:323-802,
PBs/mmc (No. 194) a = 13.244 A b = 13.244 ii o! = 90” p = 90” X-ray single crystal refinement, B. Riidinger, E. Tillmanns Mineralogy and Petrology
Atom
X
K Cal Ca2 Sr Sil Si2 All Al2 01 02 03 04 05 H201 H202 Hz03 H&4 Hz05
0.105 0.0 0.33333 0.33333 0.4215 0.2476 0.4215 0.2476 0.1127 0.6818 0.958 0.2295 0.4590 0.33333 0.413 0.587 0.218 0.0
1996
Y 0.210 0.0 0.66667 0.66667 0.3313 0.0 0.3313 0.0 0.225 0.000 0.327 0.459 0.918 0.66667 0.826 0.174 0.436 0.0
c = 15.988 ii ?; = 120” R = 0.122
and G. Hentschel, 48, 147~-152 (1993).
z
&so
occ
0.25 0.0 0.130 0.9119 0.1538 0.0 0.1538 0.0 0.003 0.9158 0.25 0.864 0.862 0.75 0.25 0.965 0.159 0.643
5.0 0.5 6.9 2.4 1.09 0.36 1.09 0.36 0.5 1.2 2.1 1.6 1.8 5.0 3.5 3.0 3.6 1.4
0.3333 1.0 1.0 0.5 0.5125 0.5125 0.4875 0.4875 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.5 1.0 1.0
(Na, tetramethvlammoniumbE
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
(Si26.6A19.4072).39.5H20 PG&rur~ (No. 194) a = 13.28 A b = 13.28 A c = 15.21 A o! = 90” p = 90” y = 120” X-ray powder refinement, R = 0.19 W. M. Meier and M. Groner, J. Solid State Chem. 37, 204-218
Atom
X
Sil Si2 All Al2 01 02 03 04 05 Hz01 H202 Hz03 Hz04 &05 H2O6 Hz07
0.233 0.425 0.233 0.425 0.309 0.212 0.478 0.399 0.536 0.6667 0.461 0.454 0.0 0.068 0.35 0.708
Y 0.0 0.093 0.0 0.093 -0.003 0.106 0.239 0.081 0.072 0.3333 -0.078 0.227 0.0 0.136 0.175 0.354
z 0.0 0.146 0.0 0.146 0.088 0.006 0.117 0.25 0.106 -0.003 0.25 -0.122 -0.184 0.75 0.75 -0.073
(1981).
&so 0.9 2.4 0.9 2.4 0.8 0.5 3.2 2.6 2.0 5.0 2.0 5.0 0.6 0.9 5.0 2.1
occ 0.739 0.739 0.261 0.261 1.0 1.0 1.0 1.0 1.0 0.87 0.5 0.91 1.19 0.7 1.21 0.49
Zeolites
16:323-602,
1996
695
EDI
Edingtonite
REFINED
COMPOSITION:
CRYSTAL
Bai.g5(SiaA14Ozc).7HzO Bathurst, New Brunswick,
DATA:
P21212 (No. 18)
a = 9.537 A cl = 90" Neutron REFERENCE:
Ba Sil Si2 Al 01 02 03 04 05 Hl H2 06 H3 H4 07
Zeolites
16:323-602,
b = 9.651 A B = 90"
single crystal
c = 6.509 A y = 90" refinement, R,, = 0.070, Rp = 0.055
A. Kvick and J. V. Smith, J. Chem. Phys. 79 (5), 2356-2362
Atom
696
Canada.
1996
(1983).
X
Y
z
&so
0.5 0.0 -0.17568 0.09245 0.17414 -0.05301 0.19836 0.03649 -0.13505 0.13081 0.23738 0.17627 0.30048 0.41511 0.37851
0.0 0.0 0.09407
0.63117 0.01365 0.38762 0.62657 0.63273 0.46728 0.53741 0.87695 0.15743 0.05620 0.06351 0.14994 0.04942 0.03767 -0.02375
1.24 0.55 0.57 0.42 0.68 0.67 0.78 1.16 1.03 3.03 6.97 1.73 6.68 4.22 3.2
0.17139 0.33126 0.19639 0.03763 0.13362 0.03586 0.26044 0.36941 0.32248 0.08839 0.20440 0.12200
occ 0.974 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.844 0.844 0.844 0.909 0.909 0.909
Na-exchanged
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
K-F
Nag (Si5A15Ozo) -4.8H20 Pz21m (No. 113) a = 10.056 A b = 10.056 A c = 6.68 A Q = 90” p = 90” y = 90” X-ray powder refinement, RI = 0.17 Ch. Baerlocher Z. Kristallogr.
Atom Nal Na21 Na22 Sil Si2 All A12 01 02 03 .&04 Hz05 H2O6
and R. M. Barrer, 140, lo-26 (1974).
2
Y
z
Biso
0.242 -0.101 0.0 0.0 0.127 0.0 0.127 0.099 -0.018 0.240 0.147 0.112 0.0
0.258 0.399 0.5 0.0 0.134 0.0 0.134 0.093 0.184 0.260 0.353 0.387 0.5
-0.059 0.324 0.325 0.0 0.375 0.0 0.375 0.133 0.466 0.389 -0.272 -0.054 -0.181
1.9 2.6 0.4 4.5 1.0 4.5 1.0 2.7 3.7 0.9 1.7 1.8 1.8
OCC
0.78 0.92 0.60 0.5 0.5 0.5 0.5 1.0 1.0 1.0 0.50 0.52 0.36
Zeolites
16:323-802,
1996
697
EMT
Calcined
REFINED
COMPOSITION: CRYSTAL
Nas,3(Si76,03A119,970192).6H20
DATA:
REFERENCE:
Nal Na2 Na3 Sil Si2 Si3 Si4 All Al2 Al3 Al4 01 02 03 04 05 06 07 08 09 010 011 012 Hz0
Zeolites
16:323-802,
P6s/mmc (No. 194) a = 17.3864 8, b = 17.3864 A c = 28.3459 A a = 90” p = 90” y = 120” X-ray R.ietveld refinement, Rexp = 0.181, R,, = 0.206. RF = 0.074 Ch. Baerlocher, L. B. McCusker and R. Chiappetta, Microporous Materials 2, 269--280 (1994).
Atom
698
EMC-2
1996
zz 0.589 0.66667 0.3571 0.3734 0.4275 0.4874 0.4867 0.3734 0.4275 0.4874 0.4867 0.457 0.292 0.340 0.403 0.425 0.356 0.528 0.478 0.594 0.472 0.591 0.453 0.709
Y
z
0.177 0.33333 0.179 0.0962 0.034 0.1546 0.1521 0.0962 0.034 0.1546 0.1521 0.130 0.0 0.170 0.093 0.069 -0.072 0.056 0.239 0.188 0.236 0.1818 0.117 0.291
0.047 0.627 0.388 0.0167 0.1069 -0.0730 0.1961 0.0167 0.1069 -0.0730 0.1961 -0.0187 0.0 0.018 0.0713 0.1601 0.1103 0.094 -0.092 -0.074 0.181 0.187 0.25 0.080
@so occ 2.527 2.527 2.527 0.869 0.869 0.869 0.863 0.869 0.869 0.869 0.869 1.5 1.5 1.5 1.5 1.5 1.5 1.5 1.5 1.5 1.5 1.5 1.5 2.527
0.25 0.325 0.333 0.792 0.792 0.792 0.792 0.208 0.208 0.208 0.208 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.5
Partially
REFINED
COMPOSITION: CRYSTAL
DATA:
dehydrated
EMT
EMC-2
Naze(Si 76.o3A119.970216).6OC.22.6H20
P~~/vw~xc (NO. 194) a = 17.3741 A b = 17.3741 A c = 28.3646 A p = 90” y = 120” Q = 90” X-ray Rietveld refinement, Rexp = 0.037, R,, = 0.186,
REFERENCE:
RF = 0.068
Ch. Baerlocher, L. B. McCusker and R. Chiappetta, Microporous Materials 2, 269-280 (1994).
Atom
X
Sil All Si2 Al2 Si3 Al3 Si4 Al4 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 Cl c2 c3 Hz01 Hz02 Hz03 Nal Na2 Na3 Na4 Na5 Na6
0.370 0.370 0.429 0.429 0.488 0.488 0.489 0.489 0.459 0.288 0.333 0.396 0.427 0.361 0.531 0.473 0.594 0.478 0.592 0.460 0.409 0.561 0.103 0.170 0.498 0.511 0.176 0.717 0.333 0.106 0.333 0.667 0.344 0.0 0.333 -0.404
Y 0.096 0.096 0.037 0.037 0.155 0.155 0.154 0.154 0.130 0.0 0.167 0.088 0.069 -0.071 0.063 0.236 0.188 0.239 0.183 0.127 0.591 0.781 0.206 0.085 0.630 0.689 0.190 0.283 -0.333 0.007 0.667 0.333 0.172 0.0 0.667 0.192
z
&so
occ
0.018 0.018 0.108 0.108 -0.070 -0.070 0.195 0.195 -0.015 0.0 0.015 0.073 0.162 0.105 0.093 -0.087 -0.075 0.179 0.186 0.25 0.25 0.205 0.094 0.137 0.235 0.192 0.149 0.073 0.003 0.044 0.111 0.156 0.110 0.132 0.25 0.034
1.34 1.34 1.34 1.34 1.34 1.34 1.34 1.34 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 4.97 4.97 4.97 4.97 4.97 4.97 4.97 4.97 4.97 4.97 3.0 3.0 3.0 3.0 3.0 3.0
0.792 0.208 0.792 0.208 0.792 0.208 0.792 0.208 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.5 0.5 0.5 0.75 0.75 1.0 0.667 0.65 0.5 0.5 0.5 0.5 0.5 1.0 0.5
Zeolites
16:323-602,
1996
699
EPI
Epistil bite
REFINED
COMPOSITION:
CRYSTAL
(Nal.o*Ca2.56)(Si17.76A16.24048).15.75H20 Teigerhorn, Iceland.
DATA:
REFERENCE:
700
Zeolites
16:323-802,
Cl 2/m 1 (No. 12) unique axis b, cell choice 1 a = 9.08 A b = 17.74 A c = 10.25 A cy = 90” ,l3 = 124.54” “i = 90” X-ray single crystal refinement, R, = 0.16 A. 3. Perrotta, Mineral. Mag. 36, 480~-490 (1967)
1996
Atom
X
Na Ca Sil Si2 Si3 All Al2 Al3 01 02 03 04 05 06 07 08 09 Hz01 Hz02 Hz03 Hz04
0.760 0.760 0.001 0.293 0.707 0.001 0.293 0.707 0.021 0.0 0.812 0.170 0.5 0.5 0.75 0.773 0.25 0.724 0.0 0.559 0.5
Y 0.0 0.0 0.088 0.208 0.197 0.088 0.208 0.197 0.0 0.100 0.117 0.134 0.180 0.179 0.25 0.233 0.25 0.0 0.078 0.082 0.0
z 0.251 0.251 0.161 0.390 0.097 0.161 0.390 0.097 0.215 0.0 0.132 0.309 0.0 0.5 0.0 0.261 0.5 0.502 0.5 0.281 0.0
ho 2.6 2.6 0.6 0.8 1.1 0.6 0.8 1.1 0.8 2.0 1.7 1.5 3.1 1.1 4.6 4.7 4.6 4.9 4.9 4.0 3.3
occ 0.26 0.64 0.74 0.74 0.74 0.26 0.26 0.26 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.875 0.875 0.875 0.875
ERI
Erionite
REFINED
COMPOSITION:
CRYSTAL
(Na l.ssK2Mgo.7Cal.3)(Si27AlgO72).6.l2H20 Wenatchee, Washington, U.S.A.
DATA:
REFERENCE:
P63/mmc (No. 194) a = 13.27 A b = 13.27 ii a! = 90” p = 90” X-ray single crystal refinement,
c = 15.05 A y = 120” R = 0.15
J. A. Gard and J. M. Tait, Proc. Third Inter. Conf. on Molec. Sieves, Recent Prog. Reports Zurich, Ed. by J. B. Uytterhoeven, Leuven University Press, 94-99 (1973).
Atom
X
Nal Na2 K
0.3333 0.5 0.0 0.66667 0.3333 0.5 0.66667 0.00021 0.0935 0.00021 0.0935 0.0267 0.0979 0.1258 0.2638 0.2293 0.4603 0.4890 0.2490 0.8950
Mg Cal Ca2 Ca3 Sil Si2 All Al2 01 02 03 04 05 06 Hz01 H202 Hz03
Y 0.6667 0.0 0.0 0.33333 0.6667 0.0 0.33333 0.23350 0.4245 0.23350 0.4245 0.3493 0.1957 0.2516 0.0 0.4585 0.9206 0.2450 0.4970 0.4480
z 0.14 0.0 0.25 0.2030 0.14 0.0 0.0730 0.10446 0.2500 0.10446 0.2500 0.1610 0.1264 0.6339 0.0 0.25 0.25 0.25 0.0160 0.0950
&so 3.0 3.1 1.98 3.0 3.0 3.1 3.6 0.90 1.10 0.90 1.10 2.42 1.65 1.90 2.45 2.1 2.8 4.6 1.9 4.2
occ 0.30 0.11 1.0 0.175 0.07 0.04 0.195
0.75 0.75 0.25 0.25 1.0 1.0 1.0 1.0 1.0 1.0 0.34 0.11 0.23
Zeolites
16:323-802,
1996
701
ERI
Piperidine
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
702
Zeolites
16:323-602.
1996
AIPOA-17
(A118P18072).C2404.14 P63/m (No. 176) n = 13.2371 A b = 13.2371 A c = 14.7708 A I2 = 90” p = 90” y = 120” X-ray single crystal refinement, R, = 0.081 J. J. Pluth, Acta Cryst.
Atom
.T
All Al2 PI P2 01 011 02 03 04 05 06 07 Cl c2
0.7708 0.0999 0.9989 0.5675 0.0365 0.6373 0.0826 0.1432 0.2773 0.2468 0.4584 0.1721 0.3770 0.4590
J. V. Smith and J. M. Bennett, C42, 283-286 ( 1986).
:Y 0.9983 0.4214 0.2369 0.9079 0.3435 0.9669 0.1910 0.2640 0.0030 0.4693 0.9171 0.1876 0.7930 0.7490
2
0.1180 0.2500 0.0938 0.2500 0.1529 0.1649 0.1053 0.6244 0.9970 0.2500 0.2500 0.2500 0.9599 0.9920
ho
2.76 1.9 1.97 1.42 3.0 2.13 3.16 3.16 3.32 2.6 2.05 3.47 33.1 33.1
occ
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.69 1.0 1.0
Calcined,
REFINED
COMPOSITION: CRYSTAL
DATA:
EUO
EU-1
(Sirr202a4).0ss.r6
Cmme
(No. 67)
a = 13.695 A a = 90” X-ray Rietveld REFERENCE:
rehydrated,
b = 22.326 A c = 20.178 A p = 90” y = 90” limited refinement. No R-factor
N. A. Briscoe, D. W. Johnson, M. D. Shannon, and L. B. McCusker, Zeolites 8, 74-76 (1988).
Atom Sil Si2 Si3 Si4 Si5 Si6 Si7 Si8 Si9 Silo 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 017 018 019 020 021 051 052 053
X
0.115 0.187 0.289 0.0000 0.0000 0.117 0.191 0.287 0.0000 0.0000 0.0000 0.158 0.139 Oz2500 0.245 0.094 0.2500 0.405 0.260 0.0000 0.0000 0.0000 0.0000 0.164 0.094 0.244 0.2500 0.2500 0.404 0.0000 0.0000 0.2500 0.4000 0.5000
Y
z
&so
0.2500 0.3703 0.4315 0.448 0.528 0.2500 0.3739 0.4302 0.450 0.534 0.2500 0.3068 0.2500 0.363 0.405 0.407 0.5000 0.431 0.389 0.5000 0.477 0.497 0.2500 0.3065 0.409 0.391 0.5000 0.403 0.425 0.485 0.5000 0.2000 0.2500 0.1250
0.123 0.0630 0.185 0.053 0.181 0.277 0.308 0.431 0.308 0.432 0.113 0.089 0.199 0.0000 0.118 0.044 0.196 0.176 0.246 0.0000 0.126 0.251 0.289 0.309 0.303 0.374 0.424 0.5000 0.427 0.376 0.5000 0.5000 0.3820 0.067
1.184 1.184 1.184 1.184 1.184 1.184 1.184 1.184 1.184 1.184 2.369 2.369 2.369 2.369 2.369 2.369 2.369 2.369 2.369 2.369 2.369 2.369 2.369 2.369 2.369 2.369 2.369 2.369 2.369 2.369 2.369 3.948 3.948 3.948
reported. G. T. Kokotailo
occ
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.01 1.27 0.53
continued. . .
Zeolites
16:323-802,
1996
703
EUO
Calcined, . . . continued
from previous
Atom 054 055 056
Extra-framework
704
Zeolites
16:323-602,
1996
rehydrated,
EU-1
page
x 0.5000 0.5000 0.0000
Y 0.1860 0.2020 0.1830
atoms 051-056
z 0.2980 0.1760 0.4500
&so 3.948 3.948 3.948
occ 0.68 0.63 0.4
were refined with oxygen scattering
factors.
FAU
Faujasite
REFINED
COMPOSITION:
CRYSTAL
Na5.lsCa2.5(Si134.4A157.s0384).26.88H20 Kaiserstuhl, Germany.
DATA:
Fdzm (No. 227) origin at centre (Zm) a = 24.74 A b = 24.74 H, c = 24.74 H, Q = 90” p = 90” y = 90” X-ray single crystal refinement, R = 0.13
REFERENCE:
W. H. Baur, Am. Miner. 49, 697-704
Atom
X
Na Ca Si Al 01 02 03 04 Hz01 Hz02
0.0699 0.0699 0.12544 0.12544 0.1742 0.1773 0.2527 0.1053 0.1673 0.272
Y 0.0699 0.0699 0.94655 0.94655 0.1742 0.1773 0.2527 0.8947 0.1673 0.272
(1964).
z
&so
occ
0.0699 0.0699 0.03626 0.03626 0.9680 0.3232 0.1435 0.0 0.1673 0.272
2.6 2.6 1.2 1.2 2.8 2.5 2.5 2.8 3.2 3.9
0.162 0.078 0.7 0.3 1.0 1.0 1.0 1.0 0.42 0.42
Zeolites
16:323-802,
1996
705
Dehydrated
REFINED
COMPOSITION: CRYSTAL
Nag2.g(Si~~~.6sA188.3~0384)
DATA:
REFERENCE:
F& (No. 203) origin at centre a = 25.099 A b = 25.099 A (Y = 90” p = 90” X-ray single crystal refinement, D. H. Olson, Zeolites 15, 439-443
Atom Nal Na2 Na3 Na4 Na5 Na6 Na61 Sil Si2 Al 01 02 03 04
706
Zeolites
16:323-802,
Na-X
1996
0.0454 0.056 0.2292 0.423 0.432 0.465 -0.05381 -0.05524 -0.05524 -0.1099 -0.0011 -0.0346 -0.0693
(1995).
Y
.z
Biso
OCC
0.0454 0.056 0.2292 0.326 0.280 0.317 0.12565 0.03639 0.03639 0.0003 -0.0028 0.0758 0.0726
0.0 0.0454 0.056 0.2292 0.158 0.164 0.158 0.03508 0.12418 0.12418 0.1056 0.1416 0.0711 0.1800
3.18 0.87 1.26 2.53 2.32 1.68 1.68 1.41 1.46 1.46 2.47 2.45 2.61 2.37
0.18 0.66 0.25 0.97 0.11 0.11 0.09 1.0 0.08 0.92 1.0 1.0 1.0 1.0
X 0.0
(5) c = 25.099 A y = 90” R = 0.046
0.0
Hydrated
REFINED
COMPOSITION: CRYSTAL
Na40.32 (Si103.ssAlss.320384).
DATA:
REFERENCE:
F&
(No. 203) origin
a =
25.028
171.84H20
at centre (3) A c = 25.028 A 0 = 90” y = 90” p = 90” X-ray single crystal refinement, R = 0.09 A
D. H. Olson, J. Phys. Chem.
Atom Nal Na2 Na3 Na4 Sil Si2 Al 01 02 03 04 Hz01 Hz02 Hz03 H&4 Hz05 Hz06 Hz07 Hz08 H209 Hz010
FAU
Na-X
b =
74, 2758-2764
X 0.0
0.060 0.230 0.238 -0.05291 -0.05352 -0.05352 -0.1099 -0.0025 -0.0321 -0.0706 0.074 0.093 0.245 0.281 0.353 0.239 0.174 0.212 0.312 0.258
25.028
z
Biso
0.060 0.230 0.238 0.03509 0.12309 0.12309 0.1054 0.1445 0.0680 0.1761 0.074 0.176 0.245 0.275 0.186 0.392 0.422 0.288 0.200 0.204
2.53 0.5 0.5 0.5 1.16 1.04 1.04 2.2 1.76 2.18 2.11 0.61 1.66 0.87 0.95 3.58 3.58 1.55 2.82 1.92 2.42
Y 0.0
0.060 0.230 0.238 0.12457 0.03671 0.03671 0.0002 -0.0041 0.0730 0.0772 0.074 0.086 0.245 0.298 0.345 0.240 0.204 0.387 0.381 0.412
(1970).
0.0
OCC
0.54 0.24 0.39 0.36 1.0 0.08 0.92 1.0 1.0 1.0 1.0 0.36 0.27 0.24 0.13 0.31 0.29 0.18 0.17 0.10 0.14
Zeolites
16:323-802,
1996
707
Dehydrated
REFINED
COMPOSITION: CRYSTAL
(Silos.75Als5,2503s4).A11.4089.6
DATA:
F&m (No. 227) origin at centre (%z) a = 24.171 A b = 24.171 A c = 24.171 A a = 90” p = 90” y = 90” Neutron Rietveld refinement, R,, = 0.1048, RI = 0.0529
REFERENCE:
J. B. Parke, Acta Cyst.
Atom Si All Al2 01 02 03 04 05
708
Zeolites
16:323-802.
US-Y
1996
z 0.1260 0.1260 0.1250 0.1076 0.2536 0.1752 0.1799 0.085
D. R. Corbin, L. Abrams C40, 1493-1497 (1984).
Y 0.9460 0.9460 0.1250 -0.1076 0.2536 0.1752 0.1799 0.085
and D. E. Cox,
z
ho
occ
0.0362 0.0362 0.1250 0.0000 0.1406 0.9633 0.3215 0.085
3.1 3.1 3.0 4.5 4.5 4.5 4.5 3.0
0.556 0.444 0.175 1.0 1.0 1.0 1.0 2.8
Siliceous
REFINED
COMPOSITION: CRYSTAL
FAU
Na-Y
Si188.160384
DATA:
REFERENCE:
FdZm (NO. 227) origin at centre (3m) a = 24.2576 -.k b = 24.2576 A c = 24.2576 A cx = 90” Neutron Rietvelc!r~~~ent, kxz 1:;2, R,, = 0.031 J. J. Hriljac, M. M. Eddy, A. K. Cheetham, J. Solid State Chem. 106, 66-72 (1993).
Atom Si 01 02 03 04
x -0.05392 0.0 -0.00323 0.07570 0.07063
Y 0.12530 -0.10623 -0.00323 0.07570 0.07063
z 0.03589 0.10623 0.14066 -0.03577 0.32115
Biso 0.37 1.16 1.42 1.33 0.74
J. A. Donohue
and G. J. Ray,
OCC
0.98 1.0 1.0 1.0 1.0
Zeolites
16:323-602,
1996
709
FER
Siliceous
REFINED
coR/IPosITIoN:
CRYSTAL
s&6072 Dealuminated,
DATA:
710
Zeolites
16:323-802,
1996
synthetic
material
Pnnm (No. 58) a = 14.07025 A b = 7.41971 A c = 18.720 A a! = 90” p = 90” y = 90” Combined X-ray and neutron Rietveld refinement.
REFERENCE:
Coordinates
ferrierite
R. E. Morris, S. J. Weigel, N. J. Henson, in press (1994).
Atom
s
Sil Si2 Si3 Si4 Si5 01 02 03 04 05 06 07 08 09 010
0.0 -0.0012 0.19990 0.2029 0.7950 0.0 0.0099 0.0899 0.7804 0.2090 0.2494 0.2403 0.7393 0.0879 0.9040
converted
Y 0.0 0.2905 0.0037 0.2255 0.1894 0.5 0.1788 0.0016 -0.0202 0.0377 0.2851 0.1829 0.1675 0.2462 0.2477
from Pmnn
&so
OCC
0.15462 0.27439 0.08373 0.33150 0.68200 0.2479 0.2027 0.1039 0.6560 0.0 0.2580 0.1248 0.8994 0.3291 0.6846
0.95 1.03 1.26 1.26 0.47 1.97 3.00 2.29 1.89 0.87 2.45 1.66 2.92 2.21 2.21
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
setting.
= 0.123
L. M. Bull and A. K. Cheetham.
2
(cab)
R,,
FER
Ferrierite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
(Nae~eMg~)(Sisc.~~Al~.~sO~~)~12H~O Kamloops Lake, British Columbia, Immm (No. 71) a = 19.156 A b = 14.127 A Q = 90” p = 90” X-ray single crystal refinement, P. A. Vaughan, Acta Cryst. 21, 983-990
Atom Na Mg Sil Si2 Si3 Si4 All Al2 Al3 Al4 01 02 03 04 05 06 07 08 Hz01 Hz02 Hz03
X
0.4285 0.0 0.1548 0.0841 0.2727 0.3232 0.1548 0.0841 0.2727 0.3232 0.0 0.2528 0.1025 0.2039 0.2500 0.1610 0.1155 0.3202 0.0 0.0912 0.0347
Canada.
c = 7.489 A y = 90” R = 0.11
(1966).
Y
z
Biso
OCC
0.0 0.0 0.0 0.2024 0.0 0.2019 0.0 0.2024 0.0 0.2019 0.2131 0.0 0.0882 0.0 0.2500 0.2833 0.2497 0.0907 0.0 0.0691 0.1403
0.0 0.500 0.0 0.0 0.2905 0.2067 0.0 0.0 0.2905 0.2067 0.0 0.5000 0.0 0.1776 0.2500 0.5000 0.1796 0.2459 0.2389 0.5000 0.5000
3.0 3.29 1.74 1.55 2.0 2.08 1.74 1.55 2.0 2.08 3.84 3.76 5.63 5.21 4.5 3.82 4.42 3.79 3.66 7.53 9.21
0.24 1.0 0.84 0.84 0.84 0.84 0.16 0.16 0.16 0.16 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.5 0.5
Zeolites
16:323-802,
1996
711
GIS
Gismondine
REFINED
COMPOSITION:
CRYSTAL
Ca3.6s(Sis.sA17.20s2).17.28H20 Hohenberg, Buhne, Westfalia.
DATA:
REFERENCE:
712
Zeolites
16:323-802,
1996
Pll 21/a (No. 14) unique axis c, cell choice 1 a = 9.843 A b = 10.023 A c = 10.616 A o! = 90” B = 90” y = 92.417” X-ray single crystal refinement, R, = 0.04 K. F. Fischer and V. Schramm, In “Molecular Sieve Zeolites - I (ACS Adv. Chem. Ser. No. lol)“, Flanigen, E. M., Sand, L. B.. Eds. American Chemical Society: Washington. DC; pp. 250-258 (1971).
Atom
X
Ca Sil Si2 Si3 All Al2 01 02 03 04 05 06 07 08 H201 Hz02 Hz03 Hz04 Hz05 Hz06
0.3537 0.18142 0.16038 0.16921 0.16921 0.149 0.9996 0.2125 0.0254 0.3037 0.2136 0.2595 0.2777 0.2253 0.5023 0.5410 0.5020 0.2306 0.4028 0.1326
Y 0.7192 0.4147 0.9082 0.09656 0.09656 0.59053 0.0787 0.2624 0.4361 0.245 0.9994 0.0449 0.4645 0.5107 0.2596 0.5914 0.9113 0.7732 0.7407 0.7620
z 0.0764 0.11288 0.87012 0.11329 0.11329 0.8669 0.1562 0.0763 0.1485 0.4027 0.9861 0.2437 0.2288 0.9944 0.1048 0.1262 0.1174 0.2369 0.3180 0.1794
&so
1.39 0.55 0.48 0.32 0.32 0.52 1.74 1.85 0.99 1.48 0.85 0.82 0.91 1.21 2.22 3.62 2.13 7.72 4.11 17.25
occ
0.92 1.0 1.0 0.2 0.8 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.88 1.0 0.95 0.61 0.48 0.4
GIS
Amicite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
(Na3.sKs.7s)(SisAIsCa2).9.86H20 Hoewenneg, Hegau, Germany. 1121 (No. 5) unique axis b, cell a = 10.226 A b = 10.422 A a = 90” p = 88.315” X-ray single crystal refinement, A. Alberti and G. Vezzalini, Acta Cryst. B35, 2866-2869
Atom
2
Na K Sil Si2 All Al2 01 02 03 04 05 06 07 08 Hz01 Hz02 Hz03 Hz04
0.4312 0.3071 0.1523 0.1534 0.1546 0.1582 0.0010 -0.0030 0.2031 0.1810 0.1712 0.1989 0.2620 0.7558 0.3435 0.4779 0.0 0.5
Y 0.2559 -0.0040 -0.0133 0.2615 0.2491 0.0027 -0.0471 0.2956 0.1401 0.0304 0.2264 0.1018 0.3610 0.3812 0.2507 0.0682 0.3191 0.4729
choice 3 c = 9.884 A y = 90” R, = 0.033
(1979).
z
Biso
0.6716 0.9692 0.3261 0.8263 0.1546 0.6512 0.3037 0.2047 0.7354 0.4785 0.9833 0.2263 0.2184 0.2177 0.4539 0.2179 0.5 0.5
2.53 2.09 0.46 0.40 0.43 0.44 1.21 1.14 0.96 1.18 1.13 1.00 1.09 0.73 2.65 2.76 2.70 2.35
OCC
0.9 0.94 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.85 0.85 1.0 0.53
Zeolites
16:323-802,
1996
713
GIS
Garronite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
(N~.~Ca~.~~)(Si~~.~A1~.~0~~)~12.08H~O Goble, Oregon, U.S.A.
Iqm2 (No. 119) a = 9.9266 8, b = 9.9266 A a = 90” X-ray Rietveld
p = 90” refinement,
G. Artioli, Am. Mineral.
77, 189-196
Atom Na Cal Ca2 Sil Si2 All Al2 011 012 02 Hz01 Hz021 Hz022 Hz03
714
Zeolites
l&323-802,
1996
c = 10.3031 A -y = 9o” Rexp = 0.047, R,, = 0.127, RF2 = 0.111
(1992).
.!:
Y
z
0.1607 0.3421 0.1607 0.3421 0.1746 0.3078 0.2922 0.0 0.105 0.161 0.0
0.281 0.352 0.238 0.1607 0.1579 0.1607 0.1579 0.0 0.0 0.2488 0.0 0.395 0.433 0.173
0.223 0.094 0.107 0.5 0.25 0.5 0.25 0.5351 0.2192 0.1244 0.159 0.25 0.234 0.981
0.0 0.0 0.0
&so
occ
6.32 8.69 8.69 3.08 4.03 3.08 4.03 2.68 2.53 6.71 9.24 2.05 2.05 16.58
0.10 0.197 0.155 0.65 0.65 0.35 0.35 1.0 1.0 1.0 1.0 0.14 0.24 0.39
GIS
Gobbinsite
REFINED
COMPOSITION:
CRYSTAL
DATA:
(Naz.eKi.7) (SiieA160s2). 14.9H20 Antrim District, Northern Ireland.
Pmn21
(No. 31)
a = 10.108 A Q = 90” X-ray Rietveld REFERENCE:
b = 9.766 A p = 90” refinement, R,,
c = 10.171 A y = 90” = 0.136, RF = 0.126
L. B. McCusker and Ch. Baerlocher, Z. Kristallogr. 171, 281-289 (1985).
Atom
X
9
Z
&so
occ
Na K Sil Si2 Si3 Si4 All Al2 Al3 Al4 01 02 03 04 05 06 07 08 09 010 Ha01 H202 Ha03 Hz04 Hz05
0.247 0.500 0.156 0.154 0.345 0.348 0.156 0.154 0.345 0.348 0.186 0.000 0.200 0.254 0.000 0.198 0.254 0.312 0.500 0.500 0.500 0.000 0.000 0.341 0.500
0.228 -0.071 0.432 0.110 0.073 0.389 0.432 0.110 0.073 0.389 0.275 0.441 0.538 0.459 0.074 0.048 0.046 0.226 0.073 0.414 0.243 0.395 0.314 0.271 0.338
0.284 0.615 -0.191 -0.242 0.000 0.048 -0.191 -0.242 0.000 0.048 -0.241 -0.162 -0.309 -0.061 -0.197 -0.394 -0.138 0.059 -0.026 0.009 0.321 0.146 0.306 0.559 0.600
9.16 9.16 2.05 2.05 2.05 2.05 2.05 2.05 2.05 2.05 1.82 1.82 1.82 1.82 1.82 1.82 1.82 1.82 1.82 1.82 9.16 9.16 9.16 9.16 9.16
0.65 0.85 0.625 0.625 0.625 0.625 0.375 0.375 0.375 0.375 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.1 1.45 0.9 1.275 1.45
Zeolites
16:323-802,
1996
715
GIS
Di-n-propylamine
REFINED
COMPOSITION: CRYSTAL
MAPO-43
(AlsPs0s2).2CfiHrGN
DATA:
REFERENCE:
Ill 2/b (No. 15) unique axis c, cell choice 3 a = 10.2192 A b = 10.2198 A c = 10.0126 A a = 90” p = 90” y = 90.987” X-ray single crystal refinement, R, = 0.049 J. J. Pluth, J. V. Smith and J. M. Bennett, J. Am. Chem. Sot. 111, 1692-1698 (1989).
Atom Al2 Pl 01 02 03 04 Nl Hl H2 Cl H3 H4 H5 c2 H6 H7 c3 H8 H9 c4 HlO Hll c5 H12 H13 C6 H14 H15 H16 N2 H17 H18 c7 H19
x 0.14938 0.34269 0.1756 0.4833 0.2514 0.3101 0.001 -0.077 0.075 0.009 0.007 -0.065 0.087 0.04 0.078 -0.074 0.006 0.084 -0.068 0.004 -0.070 0.082 -0.001 0.073 -0.079 0.001 -0.002 0.079 -0.073 0.232 0.246 0.247 -0.141 -0.200
Y 0.10057 0.09267 0.2667 0.0742 0.0604 0.0016 -0.018 -0.007 -0.001 -0.391 -0.451 -0.408 -0.402 -0.250 -0.233 -0.239 -0.154 -0.165 -0.170 0.075 0.058 0.063 0.216 0.233 0.227 0.312 0.400 0.301 0.295 0.754 0.679 0.831 0.765 0.771
2 0.12505 0.37490 0.0794 0.3297 0.2608 0.4896 0.434 0.384 0.378 0.418 0.345 0.474 0.469 0.366 0.310 0.366 0.484 0.534 0.540 0.547 0.603 0.597 0.495 0.439 0.445 0.613 0.581 0.663 0.669 0.319 0.373 0.370 0.332 0.405 continued.
716
Zeolites
16:323-802,
1996
Biso 1.76 1.72 3.36 3.37 4.07 4.07 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.03 1.03 1.03 3.24 3.24 3.24 11.05 11.05 11.05 3.24 3.24 3.24 10.26 10.26 10.26 10.26 11.05 11.05 11.05 11.05 11.05 ..
occ 1.0 1.0 1.0 1.0 1.0 1.0 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125
Di-n-propylamine . . . continued
from previous
Atom H20 H21 C8 H22 H23 c9 H24 H25 Cl0 H26 H27 Cl1 H28 H29 Cl2 H30 H31 H32
GIS
MAPO-43
page 2
-0.160 -0.150 0.000 0.009 0.019 0.097 0.085 0.081 0.325 0.307 0.315 0.466 0.482 0.478 0.563 0.650 0.551 0.547
Y 0.689
0.840 0.760 0.685 0.837 0.752 0.824 0.672 0.754 0.679 0.831 0.748 0.819 0.668 0.756 0.753 0.836 0.685
z
&so
occ
0.282 0.277 0.386 0.441 0.436 0.268 0.210 0.220 0.205 0.150 0.154 0.258 0.317 0.304 0.140 0.173 0.094 0.081
11.05 11.05 12.63 12.63 12.63 3.08 3.08 3.08 11.05 11.05 11.05 3.08 3.08 3.08 12.63 12.63 12.63 12.63
0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125 0.125
The x-coordinate for C2 has been changed from 0.004 to 0.04. Otherwise, C2 is too close to (0 -l/4 z).
Zeolites
16:323-602,
1996
717
GIS
Na-Pl
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
718
Zeolites
16:323-802,
1996
Na5.92(Sig,92Al~.o80sz).ll.28H20
Ia (No. 82) a = 10.043 A Q = 90” X-ray twinned
c = 10.043 A y = 90” p = 90” crystal refinement, R = 0.05
Ch. Baerlocher Z. Kristallogr.
and W. M. Meier, 135, 339-354 (1972).
Atom
X
Nal Na2 Sil Si2 All Al2 01 02 03 04 Hz01 Hz02 Hz03
0.0140 0.3590 0.1438 0.1683 0.1438 0.1683 0.1890 0.1885 0.0090 0.2830 0.0 0.2195 0.2930
b = 10.043 A
Y 0.1895 0.0825 0.1692 0.3579 0.1692 0.3579 0.0215 0.2895 0.3460 0.2845 0.0 0.0240 0.0020
0
Biso
0.4940 4.4 0.2210 -0.0181 0.2329 -0.0181 0.2329 0.0410 0.0880 0.2985 0.3300 0.3250 0.3515 0.3520
4.0 1.1 0.9 1.1 0.9 0.5 1.3 2.5 2.8 5.9 2.6 4.0
OCC
0.32 0.42 0.62 0.62 0.38 0.38 1.0 1.0 1.0 1.0 0.42 0.70 0.50
GME
Gmelinite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
Ca4(SiisAls04s).26.4H20 Nova Scotia, Canada. PGs/mmc (No. 194) a = 13.75 A b = 13.75 A o! = 90” p = 90” X-ray single crystal refinement,
c = 10.05 A y = 120” R = 0.17
K. Fischer, Neues Jahrbuch
Monatshefte
Atom
X
Ca Si Al 01 02 03 04 Hz01 Hz02 Hz03 H204 Hz05 Hz06
0.3333 0.441 0.441 -0.202 0.575 0.411 0.354 0.20 0.22 0.43 0.17 0.08 0.10
fur Mineralogie
Y
0.6667 0.106 0.106 -0.404 0.150 0.067 0.0 0.54 0.44 0.86 0.34 0.16 0.20
2
0.073 0.093 0.093 0.063 0.064 0.250 0.0 0.2500 0.99 0.97 0.2500 0.89 0.06
&so 6.0 0.9 0.9 2.0 2.3 2.3 2.3 3.5 9.0 9.0 5.0 4.0 6.5
1, 1-13 (1966).
occ 1.0 0.6667 0.3333 1.0 1.0 1.0 1.0 0.25 0.5 0.5 0.5 0.5 0.2
Zeolites
16:323-802,
1996
719
Goosecreekite
REFINED
COMPOSITION:
CRYSTAL
DATA:
Ca2(Si12A14032).10HzO Loudon County, Virginia,
U.S.A.
P1211 (No. 4) unique axis b b = 17.439 A p = 105.44” cl! = 90” X-ray single crystal refinement,
a = 7.401 A
REFERENCE:
720
Zeolites
16:323-802.1996
c = 7.293 A y = 90”
R, = 0.049
R. C. Rouse and D. R. Peacor, Am. Mineral. 71, 1494-1501 (1986).
Atom
X
Ca Sil Si2 Si3 Si4 Si5 Si6 All Al2 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 Hz01 H202 Hz03 Hz04 Hz05
0.6557 0.3374 0.3168 0.0219 0.1044 0.0892 0.2394 0.7482 0.0682 0.7228 0.5336 0.8372 0.9065 0.2607 0.2666 0.5594 0.2017 0.2657 0.2515 0.0811 0.9698 0.9052 0.1728 0.1202 0.9022 0.3512 0.6565 0.5102 0.7574 0.5650
Y 0.2721 0.4732 0.1294 0.2599 0.0578 0.3877 0.0045 0.1285 0.3982 0.0612 0.1478 0.2097 0.1001 0.4392 0.4226 0.4662 0.2065 0.1069 0.0596 0.3051 0.3179 0.4718 0.0585 0.3741 0.4346 0.2234 0.2989 0.3063 0.1530 0.4074
.z 0.1969 0.6282 0.5997 0.5249 0.8612 0.8325 0.2768 0.5887 0.2632 0.4105 0.6346 0.5064 0.7936 0.8023 0.4408 0.7062 0.5155 0.7949 0.4581 0.7261 0.3431 0.2174 0.0904 0.0505 0.7315 0.0964 0.8717 0.4504 0.1048 0.1595
Biso
OCC
1.78 1.18 1.12 1.03 1.08 1.07 1.06 1.0 1.02 2.0 1.87 1.33 1.78 1.77 1.51 2.12 1.6 1.65 1.86 1.68 1.58 2.09 1.98 1.91 2.06 4.83 4.81 3.5 3.92 3.73
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
HEU
Heulandite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
Ks.~s(Si26.6~AI~.~s072).18H2O Mossyrock Dam, Washington,
U.S.A.
Cl 2/m 1 (No. 12) unique axis b, cell choice 1 a = 17.767 A b = 17.958 A c = 7.431 A a = 90” p = 115.93” y = 90” X-ray single crystal refinement, R, = 0.07 E. Galli, G. Gottardi, H. Mayer, A. Preisinger Acta Cryst. B39, 189-197 (1983).
Atom
x
Kl K2 K3 K4 K5 Sil Si2 Si3 Si4 Si5 All Al2 Al3 Al4 Al5 01 02 03 04 05 06 07 08 09 010 H201 H202 Hz03 H&4 Hz05
0.079 0.071 0.241 0.210 0.032 0.1794 0.2146 0.2083 0.0668 0.0 0.1794 0.2146 0.2083 0.0668 0.0 0.1981 0.2330 0.1882 0.2304 0.0 0.0805 0.1226 0.0142 0.2153 0.1208 0.408 0.008 0.365 0.419 0.0
Y
0.0 0.0 0.500 0.500 0.500 0.1686 0.4108 0.1912 0.2983 0.2173 0.1686 0.4108 0.1912 0.2983 0.2173 0.5000 0.1213 0.1535 0.1008 0.3257 0.1614 0.2296 0.2709 0.2492 0.3708 0.092 0.099 0.500 0.500 0.500
Z
B&o
OCC
0.281 0.110 0.061 -0.033 0.190 0.0978 0.5063 0.7161 0.4176 0.0 0.0978 0.5063 0.7161 0.4176 0.0 0.4565 0.6144 0:8902 0.2473 0.5000 0.0499 0.5515 0.1891 0.1928 0.4225 0.049 0.414 0.334 0.207 0.500
19.1 10.6 3.4 4.6 9.6 1.0 1.1 1.0 1.1 1.3 1.0 1.1 1.0 1.1 1.3 2.3 2.7 3.0 2.5 3.2 2.6 3.2 3.4 2.4 2.8 9.7 8.0 6.7 10.3 10.9
0.34 0.36 0.74 0.19 0.49 0.74 0.74 0.74 0.74 0.74 0.26 0.26 0.26 0.26 0.26 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.5 0.45 0.55 1.0
and E. Passaglia,
Zeolites
16:323-802,
1996
721
HEU
Clinoptilolite
REFINED
COMPOSITION:
CRYSTAL
(Na 1.84K1.7sMgo.zCal.24)(Si2g.84A16.16072).21.36H20 Agoura, California, U.S.A.
DATA:
Cl 2/m 1 (No. 12) unique axis b, cell choice 1 c = 7.407 A a = 17.662 A b = 17.911 A ,3 = 116.40” y = 90” a = 90” X-ray single crystal refinement, R, = 0.088
REFERENCE:
K. Koyama and Y. Takeuchi, Z. Kristallogr. 145, 216-239 (1977).
Atom
X
Nal Na2 K
0.1428 0.0393 0.2413 0.0 0.1428 0.0393 0.17906 0.21334 0.20846 0.06623 0.0 0.17906 0.21334 0.20846 0.06623 0.0 0.1959 0.2336 0.1850 0.2333 0.0 0.0808 0.1268 0.0122 0.2123 0.1188 0.211 0.084 0.0777 0.0 0.0 0.073 0.096
Mg Cal Ca2 Sil Si2 Si3 Si4 Si5 All Al2 Al3 Al4 Al5 01 02 03 04 05 06 07 08 09 010 Hz01 Hz02 Hz03 H&4 Hz05 Hz06 H707
722
Zeolites
16:323-602,
1996
Y
z
0.5 0.5 0.0 0.0 0.5 0.16943 0.41099 0.19034 0.29837 0.21651 0.16943 0.41099 0.19034 0.29837 0.21651 0.5 0.1204 0.1551 0.1041 0.3232 0.1627 0.2317 0.2702 0.2520 0.3718 0.500 0.0 0.4206 0.5 0.095 0.0 0.0
0.667 0.210 0.049 0.5 0.667 0.210 0.0963 0.5040 0.7153 0.4148 0.0 0.0963 0.5040 0.7153 0.4148 0.0 0.4574 0.6144 0.8559 0.2509 0.5 0.0555 0.5492 0.1856 0.1860 0.4148 -0.033 0.888 0.964 0.5 0.5 0.249 0.756
0.0
&so 5.49 3.13 5.1 1.1 5.49 3.13 1.07 1.1 1.01 1.09 1.11 1.07 1.1 1.01 1.09 1.11 2.39 2.47 2.64 2.37 2.64 1.96 3.05 2.48 2.31 2.42 6.2 14.6 9.5 7.4 22.1 19.1 10.2
occ 0.36 0.10 0.44 0.10 0.06 0.25 0.83 0.69 0.87 0.89 0.9 0.17 0.31 0.13 0.11 0.1 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.38 0.44 1.0 1.0 0.76 0.84 0.42
Nepheline
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
hydrate
Na3(&A13012).H20 Pmc21 (No. 26) a = 7.503 A b = 8.233 A Q = 90” p = 90” X-ray single crystal refinement,
c = 5.230 ii y = 90” R = 0.039
A. Rheinhardt, E. Hellner and H. Ahsbahs, Fortsch. der Mineralogie 60, 175-176 (1982).
Atom
X
Y
z
Nal Na2 Sil Si2 All Al2 01 02 03 04 Hz01 Hz02
0.5000 0.0000 0.5000 0.2173 0.5000 0.2173 0.0000 0.5000 0.2849 0.3204 0.0000 0.0000
0.1774 0.419 0.3942 0.1060 0.3942 0.1060 0.1420 0.5628 0.0326 0.1833 0.330 0.470
0.466 0.106 -0.015 0.000 -0.015 0.000 0.014 0.170 0.718 0.061 0.514 0.538
Biso 1.9 4.9 0.9 0.9 0.9 0.9 1.8 1.8 2.0 1.8 2.9 3.9
OCC
1.0 0.5 0.5 0.5 0.5 0.5 1.0 1.0 1.0 1.0 0.25 0.25
Zeolites
16:323-802,
1996
723
KFI
Dehydrated
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
I&m (No. 229) a = 18.671 A b = 18.671 A a = 90” p = 90” X-ray Rietveld refinement, El,,
16:323-802.
1996
c = 18.671 A y = 90”
= 0.09
J. B. Parke, R. D. Shannon, E. Prince Z. Kristallogr. 165, 175-190 (1983).
Kl K2 cs Si Al 01 02 03 04
Zeolites
ZK5
(K 12 88C sg.72)(Si72.96A123.o40192)
Atom
724
(Cs,K)
X 0.0
0.150 0.0 0.0825 0.0825 0.1280 0.2522 0.0 0.2500
Y 0.2500 0.150 0.0 0.2023 0.2023 0.1280 0.2522 0.1783 0.1085
z 0.5000 0.150 0.314 0.3211 0.3211 0.3145 0.4081 0.3369 0.3915
and D. E. Cox,
Biso OCC 3.9 0.78 3.9 4.7 1.1 1.1 2.0 1.3 1.7 1.7
0.22 0.81 0.76 0.24 1.0 1.0 1.0 1.0
LAU
Laumontite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
Caq(SireAls04s).18HzO Nasik, India. Cl 2/m 1 (No. 12) unique axis b, cell choice 1 a = 14.8538 A b = 13.1695 A c = 7.5421 A Q = 90” ;o = 110.323” y = 90” X-ray Rietveld refinement, Rwp = 0.115, R, = 0.090, RF2 = 0.046 G. Artioli and K. Stahl, Zeolites 13, 249-255 (1993).
Atom
X
Y
z
Biso
OCC
Ca Sil Si2 Al 01 02 03 04 05 06 07 Hz01 H202 H&5 Hz08
0.2601 0.2368 0.0763 0.1315 0.260 0.2084 0.1384 0.146 0.3205 0.043 0.013 0.029 0.401 0.5 0.1426
0.5 0.3838 0.3834 0.3080 0.5 0.3744 0.3838 0.3454 0.3185 0.5 0.3083 0.171 0.5 0.467 0.129
0.737 0.156 0.325 0.737 0.219 0.919 0.552 0.203 0.248 0.267 0.743 0.0 0.026 0.5 0.332
3.4 1.89 2.13 2.61 0.79 1.66 0.55 2.92 0.79 0.71 2.53 2.45 5.92 3.16 4.03
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.5 1.0 0.5 1.0
Zeolites
16:323-802,
1996
725
LAU
Leon hardite
REFINED
COMPOSITION:
CRYSTAL
Ca4(Si16.4A17.s04s).H25.1s4013.36 Teigahorn, Berufjordur, Iceland.
DATA:
REFERENCE:
G. Artioli, .J. V. Smith and A. Kvick, Zeolites 9, 377-391 (1989).
Atom Sil Si2 Si3 Al 01 02 03 04 05 06 07 Ca 011 012 013 014 015 016 017 018 Hl H2 H3 H4 H5 H6 H7 H8 H9 HlO Hll H12 H13 H14 H15 H16 H17
726
Zeolites
16:323-802,
1996
Cl 2/m 1 (No. 12) unique axis b, cell choice 1 a = 14.690 A b = 13.061 A c = 7.574 A a = 90” j3 = 112.01” y = 90” Neutron single crystal refinement, RF2 = 0.084, T = 15K.
X
Y
0.23810 0.08281 0.12982 0.12982 0.25981 0.21108 0.14973 0.14659 0.33598 0.05002 0.01051 0.27540 0.41286 0.41489 0.5 0.38445 0.37628 0.39527 0.40290 0.41917 0.47394 0.47076 0.45425 0.40834 0.41832 0.44714 0.37143 0.36681 0.42706 0.42967 0.41716 0.44065 0.38262 0.37938 0.40073 0.47481 0.41649
0.38177 0.38285 0.30997 0.30997 0.5 0.37669 0.38130 0.33896 0.31686 0.5 0.31005 0.5 0.5 0.45514 0.43199 0.42560 0.38162 0.37909 0.38065 0.37517 0.43341 0.5 0.47073 0.38935 0.42092 0.38924 0.37046 0.39410 0.47454 0.39404 0.33596 0.37303 0.30594 0.29567 0.33226 0.39229 0.31170
z 0.15515 0.32651 0.73198 0.73198 0.22658 0.92717 0.55330 0.20664 0.26834 0.26109 0.71791 0.75776 0.03570 0.05147 0.5 0.62407 0.65890 0.77087 0.84035 0.98301 0.03731 0.05896 0.11239 0.12684 0.16151 0.41741 0.52675 0.53068 0.59007 0.66218 0.73197 0.73626 0.74108 0.81611 0.82437 0.89948 0.90170
&so 0.74 0.71 0.76 0.76 0.9 0.96 1.01 0.94 0.94 0.9 1.06 1.06 2.64 1.78 1.97 1.57 2.39 2.91 1.38 1.55 3.13 3.65 3.86 4.03 3.55 2.73 3.45 3.72 2.47 2.15 2.36 3.32 4.21 2.59 3.38 3.75 3.35
occ 1.0 1.0 0.05 0.95 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.130 0.311 0.450 0.327 0.200 0.286 0.143 0.113 0.224 0.080 0.123 0.132 0.224 0.433 0.456 0.089 0.314 0.140 0.145 0.155 0.126 0.215 0.090 0.101 0.141
Cobalt
REFINED
COMPOSITION: CRYSTAL
LAU
gallophosphate
(CosGa16P24096).8C+HsN
DATA:
REFERENCE:
Cl 2/c 1 (No. 14) unique axis b, cell choice 1 a = 15.058 A b = 13.197 A c = 15.273 8, a = 90” p = 112.20” y = 90”
A. M. Chippindale and R. I. Walton, J. Chem. Sot., Chem. Commun., 2453-2454
Atom Gal co1 Ga2 co2 Ga3 co3 Pl P2 P3 01 02 03 04 05 06 07 08 09 010 011 012 Cl Nl c2 c3 c4 c5 Hll Hlll H21 H31 H41 H51
X
0.56738 0.56738 0.73158 0.73158 0.63532 0.63532 0.5716 0.7317 0.6368 0.6270 0.7156 0.5295 0.7126 0.7572 0.8178 0.4905 0.6349 0.6598 0.6379 0.4594 0.6437 0.170 0.124 0.124 0.031 -0.012 0.035 0.2373 0.1579 0.1594 -0.0055 -0.0774 0.0042
Y 0.10568 0.10568 -0.12692 -0.12692 0.19004 0.19004 -0.1306 0.1144 0.1869 -0.1711 0.1423 -0.0264 0.1169 0.0068 0.1799 -0.2056 0.1218 0.2974 -0.1243 0.1869 0.1546 0.0043 -0.080 0.096 0.100 0.010 -0.081 0.0011 -0.1462 0.1600 0.1653 0.0124 -0.1460
(1994).
2
&so
occ
0.65382 0.65382 0.57730 0.57730 0.36767 0.36767 0.6573 0.5759 0.8647 0.6002 0.9528 0.6227 0.4706 0.6151 0.6299 0.6435 0.7831 0.8514 0.7616 0.6233 0.5907 0.139 0.144 0.130 0.123 0.135 0.144 0.1413 0.1486 0.1290 0.1099 0.1370 0.1501
2.07 2.07 2.04 2.04 2.1 2.1 2.17 2.1 2.2 3.61 2.53 3.46 3.28 2.48 3.25 2.68 3.3 3.2 3.44 3.38 3.41 5.7 9.07 7.49 7.94 10.94 8.69 6.47 9.19 8.35 7.82 11.99 9.69
0.6667 0.3333 0.6667 0.3333 0.6667 0.3333 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-802,
1996
727
LEV
l-aminoadamantane
REFINED
COMPOSITION: CRYSTAL
NU-3
(Si540rus).6CieN
Rzrn (No. 166) hexagonal setting
DATA:
a = 13.2251 A b = 13.2251 A a = 90” p = 90” X-ray Rietveld refinement, R,, REFERENCE:
Sil Si2 01 02 03 04 05 Cl c2 c3 c4 Nl
The y-value
Zeolites
16:323-802,
1996
= 0.104, RF = 0.060
L. B. McCusker, Mat. Sci. Forum Vol. 133-136, 423-434 (1993). and L. B. McCusker, private communication (1995).
Atom
728
c = 22.2916 A y = 120°
X
0.2327 0.33333 0.2641 0.0956 0.2492 0.4460 0.3121 0.0 0.0635 0.0651 0.1248 0.1254
Y 0.0006 -0.0943 0.0 -0.0956 0.1246 -0.1080 -0.0340 0.0 0.1270 0.1302 0.0624 0.2508
of 04 has been corrected
z 0.0694 0.16667 0.0 0.0795 0.0890 0.1544 0.1078 0.2190 0.2449 0.3130 0.3386 0.3320
@so 0.95 0.95 1.18 1.82 1.26 1.11 1.03 5.37 5.37 5.37 5.37 5.37
to 2x - 1. rather
occ 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.333
than 1 - 2x.
LEV
Levyne
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
(Na 2 Nurri,
16
K o.72Ca7.8)(Si35.1A118.g0108).46.08H20 Nuoro, Sardinia, Italy.
R3m (No. 166) hexagonal setting a = 13.338 A b = 13.338 Hi c = 23.014 A a: = 90” p = 90” y = 120” X-ray single crystal refinement, R = 0.07 S. Merlino, Tschermaks
Atom Nal Na2 Na3 Na4 Kl K2 Cal Ca2 Ca3 Ca4 Sil Si2 All Al2 01 02 03 04 05 Hz01 Hz02 Hz03 Hz04
X 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.0001 0.2396 0.0001 0.2396 0.0339 0.0920 0.1275 0.2643 0.2219 0.2567 0.1222 0.2547 0.5429
E. Galli and A. Alberti, Mineral. Petrogr. Mitt.
Y 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.2322 0.0 0.2322 0.0 0.3493 -0.0920 -0.1275 0.0 -0.2219 -0.2567 -0.1222 -0.2547 -0.5429
22, 117-129
z
Biso
0.2782 0.4095 0.4498 0.5 0.2782 0.4095 0.1389 0.2782 0.4095 0.4498 0.0697 0.5 0.0697 0.5 0.1079 0.0827 -0.0910 0.0 0.1793 -0.1241 0.2852 0.0187 -0.0445
3.4 9.4 0.7 0.7 3.4 9.4 3.48 3.4 9.4 0.7 1.39 1.32 1.39 1.32 2.72 2.98 3.45 3.83 2.98 4.8 8.0 6.5 5.7
(1975).
OCC
0.12 0.12 0.06 0.12 0.06 0.06 1.0 0.12 0.12 0.06 0.65 0.65 0.35 0.35 1.0 1.0 1.0 1.0 1.0 1.0 0.74 0.54 0.28
Zeolites
16:323-802,
1996
729
LIO
Liottite
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
Si36072 Pi?m2 (No. 187) a = 12.26077 A b = 12.26077 A c = 15.67058 A /j zz 90” a = 90” y = 120” DLS refinement. S. Merlin0 and P. Orlandi, Am. Mineral. 62, 321 (1977). And J. M. Newsam, private communication
Atom Sil Si2 Si3 Si4 01 02 03 04 05 06 07 08 09 010 011
730
Zeolites
16:323-802,
1996
SiO, framework
X
0.33385 0.25317 0.41565 0.25060 0.23106 0.31668 0.47260 0.31517 0.33438 0.11165 0.25156 0.54183 0.45209 0.10389 0.26518
Y 0.91626 1.00257 0.08080 1.00096 0.76894 0.98467 0.93365 0.97776 1.01261 0.88835 1.13178 0.07179 0.22604 0.89611 1.13855
z 0.16563 0.33337 0.50000 0.00000 0.16304 0.08363 0.16502 0.25081 0.41638 0.34500 0.32134 0.50000 0.50000 0.00000 0.00000
(1990).
LOS
Losod
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
Na12.5(Si12A112048).14.32H20 Synthetic material. 186) a = 12.906 A b = 12.906 A a: = 90” p = 90” X-ray Rietveld refinement, R,, P63mc
(NO.
c = 10.541 A y = 120” = 0.154, RF = 0.084, Rexp = 0.136
P. A. Schicker, Ph.D. Thesis No. 8494, ETH Zurich (1988).
Atom
n:
Nal Na2 Na3 Na4 Sil All Si2 Al2 01 02 03 04 05 06 Hz01 Hz02 Hz03 Hz04 Hz05
0.897 0.846 0.0 0.6667 0.250 0.250 0.414 0.414 0.220 0.358 0.4581 0.529 0.125 0.312 0.749 0.774 0.0 0.0 0.6667
Y 0.449 0.1539 0.0 0.3333 -0.002 -0.002 0.084 0.084 0.110 0.025 0.229 0.058 -0.125 0.007 0.251 0.387 0.0 0.0 0.3333
z
Biso
OCC
-0.018 -0.24 -0.45 -0.66 0.0 0.0 0.248 0.248 -0.006 0.102 0.257 0.267 0.035 0.354 -0.22 -0.442 -0.61 -0.24 0.06
11.2 5.5 0.0 1.5 1.5 1.5 1.9 1.9 4.4 2.1 5.8 4.1 14.3 3.5 12.9 13.7 0.5 0.0 11.5
0.98 0.73 0.52 0.60 0.5 0.5 0.5 0.5 1.0 1.0 1.0 1.0 1.0 1.0 0.87 0.88 0.53 0.52 0.86
Zeolites
16:323-802,
1996
731
LOV
Lovdarite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
NalzKq(Si2sBe8072). 18H20 Mt. Karnasurt, Lovezero Pluton, Pma2 (No. 28) n = 39.576 A b = 6.9308 ii Q1= 90" p = 90" X-ray single crystal refinement, S. Merlino, Eur. J. Mineral. Atom Nal Na2 Na3 Na4 K Sil Si2 Si3 Si4 Si5 Si6 Si7 Be1 Be2 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 017 018 019 Hz01 H202 H203 Hz04 H205
732
Zeolites
16:323-802,
1996
n: 0.25 0.25 0.1283 0.0069 0.3860 0.2113 0.2113 0.1952 0.1248 0.0582 0.0333 0.0458 0.1805 0.0670 0.25 0.2103 0.1858 0.2023 0.25 0.2106 0.1858 0.2065 0.1540 0.1409 0.0979 0.1057 0.0355 0.0563 0.0448 0.0514 0.0493 -0.0060 0.0678 0.2115 0.1438 0.1290 0.0744 0.0
2, 809-817 Y 0.6098 0.6217 0.8542 0.2840 0.0417 0.0504 0.0497 0.3671 0.5026 0.5267 0.2593 0.8202 0.7820 0.5415 -0.0319 0.2603 -0.0960 0.0905 -0.0324 0.2624 -0.1014 0.5870 0.3356 0.7122 0.4563 0.4735 0.3608 0.7205 0.5539 0.0501 0.3782 0.2198 -0.2501 0.5643 0.6958 0.1820 0.0616 0.0
Russia.
c = 7.1526 ii y = 90" R, = 0.09
(1990). t
Biso
OCC
0.2437 0.7683 0.6990 0.8652 0.1828 0.2770 0.7179 -0.0008 -0.0269 0.1399 0.4469 0.4588 0.0050 0.7334 0.2723 0.1857 0.1901 0.5007 0.7287 0.8147 0.8030 0.0011 0.0027 -0.0041 0.1463 0.7794 0.2493 0.2606 -0.0671 0.4226 0.6145 0.5039 0.6341 0.5123 0.4247 0.5459 0.8790 0.0134
1.95 1.97 2.18 6.10 1.98 0.73 0.84 0.77 0.89 0.92 0.79 0.87 0.47 1.00 0.61 1.35 1.12 1.33 1.20 1.14 1.15 0.77 1.33 1.25 1.00 1.34 1.22 1.89 1.40 1.13 1.51 1.43 0.88 2.17 2.38 2.70 3.91 8.03
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Hydrated
REFINED
COMPOSITION: CRYSTAL
LTA
Linde Type A
Nass(Si~6A1g603s4).0326.~~
DATA:
F&c
(No. 226)
a = 24.61 A
b = 24.61 A ct = 90” p = 90” X-ray single crystal refinement, REFERENCE:
c = 24.61 A y = 90” R, = 0.04
V. Gramlich and W. M. Meier, Z. Kristallogr. 133, 134-149 (1971).
Atom Na Si Al 01 02 03 04 05 06 07 08 09 010 011
Extra-framework
2
0.1064 0.0 0.0 0.0 0.0 0.0538 0.02 0.03 0.1598 0.1155 0.167 0.041 0.210 0.25
Y 0.1064 0.0929 0.1864 0.1116 0.1463 0.0583 0.03 0.02 0.1598 0.167 0.1155 0.210 0.041 0.25
atoms 05-011
z
&so
occ
0.1064 0.1844 0.0902 0.2473 0.1476 0.1704 0.064 0.064 0.1598 0.262 0.262 0.235 0.235 0.25
7.74 1.16 1.0 2.55 2.08 2.45 25.0 25.0 18.16 33.43 33.43 34.74 34.74 61.59
1.0 1.0 1.0 1.0 1.0 1.0 0.115 0.115 0.91 0.325 0.325 0.22 0.22 1.88
were assumed
to have oxygen scattering
Zeolites
factors.
16:323-602,
1996
733
LTA
Dehydrated
REFINED
COMPOSITION: CRYSTAL
Na91.7s(Si9SA1960384)
DATA:
Atom Nal Na2 Na3 Si Al 01 02 03
Zeolites
16:323-802,
1996
Fmgc (No. 226) a = 24.555 A b = 24.555 A $ = 90” cy = 90” X-ray single crystal refinement,
c = 24.555 A y = 90” R, = 0.023
J. J. Pluth and J. V. Smith, J. Am. Chem. Sot. 102, 4704-4708
REFERENCE:
734
Linde Type A
X
0.09960 0.0 0.2500 0.0 0.0 0.0 0.0 0.05379
Y 0.09960 0.2165 0.1060 0.09316 0.18715 0.11367 0.14459 0.05865
(1980).
z
Biso
occ
0.09960 0.2111 0.1060 0.18499 0.09042 0.24663 0.14591 0.17152
3.79 6.35 4.34 1.89 1.98 3.17 3.68 2.98
0.972 0.242 0.066 1.0 1.0 1.0 1.0 1.0
LTL
Perlialite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
(K 7.56T13.8)(Si24A112072).22.46H20 Murun Massif, Russia. PG/mmm (No. 191) a = 18.5432 A b = 18.5432 A Q = 90” p = 90” X-ray powder refinement, R,, G. Artioli and A. Kvick, Eur. J. Mineral. 2, 749-759
Atom
X
Kl K2 K21 K3 T13 K4 T14 Sil Si2 All Al2 01 02 03 04 05 06 Hz01 H202 H&3 Hz04 HZ05 Hz06
0.33 0.33 0.33 0.297 0.315 0.5 0.5 0.0924 0.1672 0.0924 0.1672 0.0 0.158 0.260 0.1038 0.4092 0.156 0.11 0.134 0.28 0.28 0.0 0.560
The presence of thallium of the zeolite framework
Y 0.66 0.66 0.66 0.0 0.0 0.0 0.0 0.3546 0.4975 0.3546 0.4975 0.272 0.316 0.520 0.4125 0.818 0.483 0.0 0.0 0.14 0.14 0.0 0.280
=
c = 7.5310 A y = 120” 0.20, R, = 0.17
(1990).
z
&so
occ
0.0 0.5 0.427 0.0 0.0 0.5 0.5 0.5 0.215 0.5 0.215 0.5 0.5 0.288 0.326 0.213 0.0 0.0 0.37 0.0 0.26 0.172 0.0
5.53 1.18 1.18 3.63 3.63 3.24 3.24 2.53 4.9 2.53 4.9 0.79 4.74 5.53 1.82 4.74 1.18 7.11 7.11 2.37 7.9 7.9 7.9
0.18 0.38 0.31 0.517 0.483 0.699 0.301 0.667 0.667 0.333 0.333 1.0 1.0 1.0 1.0 1.0 1.0 0.40 0.91 0.25 0.19 0.70 0.66
atoms at the K3 and K4 sites in the larger cavities is considered to be an artifact of heavy liquid separation.
Zeolites
16:323-602,
1996
735
LTL
Linde Twe
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
736
Zeolites
16:323-602,
1996
L
(NagK4.7)(Si27A19072).20.8H20 Synthetic material. PG/mmm (No. 191) a = 18.40 A b = 18.40 A c = 7.52 w a = 90” p = 90” y = 120” X-ray powder refinement, RF = 0.13 R. M. Barrer Z. Kristallogr.
Atom
X
Nal Na2 Kl K2 Sil Si2 All Al2 01 02 03 04 05 06 Hz01 Hz02 H&3 &to4 Hz05 Hz06 Hz07 Hz08
0.3333 0.0 0.3333 0.0 0.0946 0.1662 0.0946 0.1662 0.0 0.1646 0.2620 0.1004 0.4261 0.1360 0.0700 0.0 0.0 0.0 0.092 0.0 0.116 0.0
and H. Villiger, 128, 352-270 (1969).
9 0.6667 0.303 0.6667 0.5 0.3595 0.4989 0.3595 0.4989 0.2674 0.3292 0.5240 0.4078 0.8522 0.4691 0.1400 0.09 0.0 0.135 0.184 0.0 0.232 0.195
z
Biso
OCC
0.0 0.0 0.5 0.5 0.5 0.2137 0.5 0.2137 0.5 0.5 0.260 0.330 0.275 0.0 0.5 0.5 0.5 0.243 0.203 0.189 0.0 0.0
4.0 2.0 1.0 3.0 1.2 0.6 1.2 0.6 1.0 1.0 2.5 1.0 1.3 0.8 4.0 7.0 15.0 4.0 5.0 10.0 6.0 5.0
0.7 0.6 1.0 0.9 0.75 0.75 0.25 0.25 1.0 1.0 1.0 1.0 1.0 1.0 0.7 0.25 0.5 0.25 0.25 0.7 0.7 0.5
LTN
NaZ-21
CRYSTAL
DATA:
REFERENCE:
F& (No. 203) origin at centre a = 36.95 A b = 36.95 H, cl! = 90” p = 90” X-ray single crystal refinement,
(3) c = 36.95 H, y = 90” R = 0.051
Y. F. Shepelev, Y. I. Smolin, I. K. Butikova Doklady Akad. Nauk SSSR 272, 1133-1137
Atom
X
Nal Na2 Na3 Na4 Na5 Na6 Na7 Na8 Na9 NalO Nall Na12 Na13 Na14 Sil Si2 Si3 Si4 All Al2 Al3 Al4 01 02 03 04 05 06 07 08 09 010 011 012
0.0420 0.2312 0.2337 0.6964 0.4184 0.4322 0.4564 0.1770 0.1895 0.2006 0.1805 0.2723 0.2541 0.2311 0.2481 0.3103 0.1717 0.2230 0.3141 0.2484 0.2965 0.2850 0.2151 0.1613 0.3857 0.2580 0.1135 0.1982 0.3626 0.3261 0.2529 0.3209 0.2160 0.2652
Y 0.0420 0.2132 0.2337 0.6964 0.4184 0.4322 0.4564 0.0742 0.0621 0.0501 0.0705 0.1111 0.1110 0.1084 0.0633 0.1213 0.0154 0.0852 -0.0016 0.1221 0.0164 0.0853 0.0365 0.0917 0.0308 0.0866 0.0417 0.0495 0.0346 0.0877 0.0944 0.0698 0.1228 0.0686
z
Biso
OCC
0.0420 0.2132 0.2337 0.6964 0.4184 0.4322 0.4564 0.8278 0.8156 0.7983 0.4323 0.3621 0.3615 0.3640 0.6252 0.7456 0.9540 0.2858 0.8749 0.8066 0.0794 0.2273 0.6145 0.7357 0.0360 0.5894 0.4616 0.9583 0.7917 0.5060 0.8444 0.2537 0.9583 0.9861
3.0 0.8 3.0 2.4 3.0 3.5 3.3 2.1 2.4 2.6 2.7 2.8 0.9 3.0 0.4 0.5 0.4 0.7 0.5 0.5 0.4 0.7 1.6 1.0 1.7 1.3 1.4 1.6 1.4 1.8 1.4 1.9 1.7 1.8
1.0 0.56 0.26 0.77 0.53 0.21 0.09 0.46 0.24 0.23 1.0 0.6 0.25 0.15 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
continued.
and V. I. Tarasov, (1975).
..
Zeolites
16:323-802,
1996
737
LTN
Synthetic .
continuedfrom
previous
Atom 013 014 015 016 Hz01 Hz02 H&3 Hz04
Hz05 H2O6 Hz07
H2O8 Hz09 H2010 Hz011
738
Zeolites
16:323-802,
1996
NaZ-21
page X
Y
0.2454 0.1723 0.2803 0.2839 0.2685 0.3699 0.3693 0.3679 0.0754 0.3268 0.1558 0.1471 0.3553 0.3496 0.2063
0.1656 0.0018 0.0436 0.0653 0.2685 0.0673 0.0758 0.0911 0.0754 0.1250 0.0849 0.1066 0.0276 0.0471 0.0449
-,
0.8233 0.2433 0.3807 0.1852 0.2685 0.1659 0.1748 0.1828 0.0754 0.6250 0.8880 0.8896 0.3912 0.3987 0.1043
Biso 1.9 2.0 1.7 1.8 7.3 2.6 3.8 2.3 6.3 5.5 5.4 4.6 6.3 3.4 3.8
OCC
1.0 1.0 1.0 1.0 0.89 0.17 0.63 0.2 0.4 0.86 0.6 0.36 0.38 0.61 0.29
MAZ
Mazzite
REFINED
COMPOSITION:
CRYSTAL
N~.~(K~.~~Mg~Ca~.~s)(Si~s.~~A1~.~~0~~)~31.48H~0 Mont Semiol, Loire, France.
DATA:
P6s/mmc
(No.
a = 18.392 A ct = 90" X-ray REFERENCE:
b = 18.392 A p = 90"
single crystal
E. Galli, Rend. Sot. Ital.
Atom Na K Mg Cal Ca2 Sil Si2 All A12 01 02 03 04 05 06 Hz01 Hz02 H203 Hz04 Hz05 Hz06 Hz07
194)
2
0.5 0.5 0.3333 0.5 0.0 0.1584 0.3536 0.1584 0.3536 0.2589 0.4249 0.3822 0.4352 0.1614 0.2741 0.467 0.3333 0.271 0.566 0.028 0.088 0.076
refinement,
Mineral.
Y 0.0 0.0 0.6667 0.0 0.0 0.4902 0.0933 0.4902 0.0933 0.5178 0.8498 0.1004 0.1114 0.3228 0.0 0.934 0.6667 0.542 0.355 0.148 0.176 0.152
Petrol.
z 0.0 0.0 -0.25 0.0 0.072 0.25 0.0444 0.25 0.0444 0.25 0.25 0.25 -0.0721 -0.0016 0.0 0.661 0.016 -0.25 0.25 0.030 0.25 -0.25
c = 7.646 A y = 120”
R, = 0.05 31, 599-612
&so 4.61 4.61 2.71 4.61 23.2 1.05 1.05 1.05 1.05 2.38 1.9 2.14 2.27 1.96 2.37 6.4 4.3 5.4 6.9 7.7 21.8 31.2
(1975).
occ 0.05 0.42 1.0 0.03 0.22 0.73 0.73 0.27 0.27 1.0 1.0 1.0 1.0 1.0 1.0 0.5 1.0 0.44 0.44 0.23 0.89 0.45
Zeolites
16:323-602,
1996
739
ZSM-18
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
Si34068 P6& (No. 176) a = 13.175 8, b = 13.175 w a! = 90” p = 90” DLS refinement
Sil Si2 Si3 Si4 01 02 03 04 05 06 07
Zeolites
16:323-802,
1996
c = 15.848 A y = 120”
S. L. Lawton and W. J. Rohrbaugh, Science 247, 1319-1322, (1990).
Atom
740
SiOa framework
X
Y
z
0.6667 0.6713 0.4522 0.5266 0.6667 0.6623 0.5793 0.4217 0.4540 0.6506 0.6443
0.3333 0.1500 0.1161 0.2118 0.3333 0.2169 0.1388 0.1984 0.1495 0.2126 0.0200
0.3495 0.4700 0.5682 0.7500 0.2500 0.3878 0.5411 0.5101 0.6663 0.7500 0.4453
Calcined
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
MEL
ZSM-11
SigsO192 IZm2 (No. 119) a = 20.067 8, b = 20.067 8, c = 13.411 A a = 90” p = 90” y = 90” X-ray Rietveld refinement, R, = 0.13; At T = 100°C. C. A. Fyfe, H. Gies, G. T. Kokotailo, C. Pasztor, J. Am. Chem. Sot. 111, 2470-2474 (1989).
Atom Sil Si2 Si3 Si4 Si5 Si6 Si7 01 02 03 04 05 06 07
08 09 010 011 012 013 014 015
X
Y
2
Biso
0.0777 0.1212 0.0775 0.2801 0.3053 0.1938 0.0761 0.0873 0.1067 0.0926 0.2018 0.3309 0.3003 0.3095 0.1204 0.2511 0.0905 0.0 0.0 0.0926 0.1295 0.0875
0.0777 0.1860 0.2219 0.1882 0.0768 0.1938 0.3819 0.0 0.1179 0.1856 0.1993 0.1186 0.0 0.1905 0.1931 0.1927 0.3010 0.2090 0.3960 0.2437 0.4078 0.4125
0.0000
0.34 1.64 1.29 0.39 0.28 1.1 -0.20 3.30 2.83 1.71 1.79 1.62 0.77 3.27 0.24 1.43 1.16 3.49 -0.34 1.59 0.03 -1.59
0.1451 0.3569 0.1403 -0.0079 0.5 0.3589 0.0279 0.0975 0.2550 0.1506 0.0889 0.0247 0.25 0.4478 0.4252 0.3497 0.3875 0.3871 0.0900 0.4348 0.25
H. Strobl
and D. E. Cox,
OCC
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-802,
1996
741
MEP
Melanophlogite
REFINED
COMPOSITION:
CRYSTAL
(Si46092).Cs Mt. Hamilton,
Pm%
DATA:
California,
U.S.A.
(No. 223)
a = 13.436 A b = 13.436 A cy = 90” )‘3 = 90” X-ray single crystal refinement, REFERENCE:
H. Gies, Z. Kristallogr.
Atom Sil Si2 Si3 01 02 03 04 Cl c2
Cl represents
742
Zeolites
16:323-802,
1996
164, 247-257
X 0.0
lY 0.3098
0.1826 0.25 0.0963 0.0 0.3423 0.25 0.25 0.0
0.1826 0.0 0.2465 0.4056 0.0 0.25 0.5 0.0
guest molecules
c = 13.436 ii y = 90”
R, = 0.04
(1983).
z 0.1142 0.1826 0.5 0.1360 0.1813 0.0 0.25 0.0 0.0
Biso 1.71 1.72 1.43 4.88 4.78 2.76 5.81 39.37 13.74
Nz and CO2 collapsed
occ 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
to a site.
MER
Merlinoite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
(Nao.ssK:,.zsCa~.84~Ba~.444)(Si~~.~~A1~.~~0~~)~19.44H~O Cupaello, Italy. Immm (No. 71) a = 14.116 A b = 14.229 A o! = 90” p = 90” X-ray single crystal refinement, E. Galli, G. Gottardi Neues Jahrb. Miner.
Atom Nal Na2 Na3 Kl K2 K3 K4 K5 Cal Ca2 Ca3 Bal Ba2 Ba3 Ba4 Ba5 $1 Si2 All Al2 01 02 03 04 05 06 Hz01 Hz02 Hz03 &to4 Hz05 Hz06 Hz07 Hz08
X
0.5 0.390 0.333 0.156 0.5 0.5 0.390 0.333 0.5 0.390 0.333 0.156 0.5 0.5 0.390 0.333 0.1097 0.2816 0.1097 0.2816 0.1235 0.3089 0.0 0.2767 0.1765 0.3661 0.5 0.0 0.385 0.5 0.459 0.251 0.446 0.443
Y 0.5 0.363 0.380 0.5 0.192 0.5 0.363 0.380 0.5 0.363 0.380 0.5 0.192 0.5 0.363 0.380 0.2473 0.1102 0.2473 0.1102 0.2830 0.1177 0.2155 0.0 0.1568 0.1638 0.0 0.5 0.5 0.5 0.274 0.464 0.420 0.5
c = 9.946 H, y = 90”
R = 0.09
and D. Pongiluppi, Monatsh. 1, l-9 (1979).
z
&so
occ
0.275 0.0 0.0 0.0 0.0 0.275 0.0 0.0 0.275 0.0 0.0 0.0 0.0 0.275 0.0 0.0 0.1563 0.1596 0.1563 0.1596 0.0 0.0 0.1839 0.2096 0.1924 0.2454 0.0 0.158 0.159 0.0 0.0 0.0 0.062 0.5
12.0 12.0 12.0 3.8 3.8 12.0 12.0 12.0 12.0 12.0 12.0 3.8 3.8 12.0 12.0 12.0 1.0 1.0 1.0 1.0 1.8 1.5 1.8 1.9 2.3 2.6 6.8 4.9 9.8 3.7 5.8 3.6 11.2 12.0
0.054 0.022 0.036 0.419 0.419 0.09 0.136 0.06 0.147 0.059 0.098 0.041 0.041 0.009 0.004 0.006 0.71 0.71 0.29 0.29 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.6 0.2 0.2 0.21 0.2 0.44
Zeolites
16:323-602,
1996
743
MER REFINED
Barium
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
(Ba3C120)4(Si21.34A110.66064) 14/mmm (No. 139) a = 14.194 A b = 14.194 A o! = 90” p = 90” X-ray single crystal refinement,
Atom
Zeolites
16:323-802,
1996
c = 9.234A y = 90” R = 0.14
L. P. Solov’eva, S. V. Borisov and V. V. Bakakin, Sov. Phys. - Crystallogr. 16, 1035%1038 (1972).
Bal Ba2 Cl 02Si Al 01 02 03 04
744
chloroaluminosilicate
X
0.1816 0.5 0.375 0.0 0.2386 0.2386 0.193 0.350 0.158 0.257
Y
z
0.5 0.5 0.375 0.5 0.3917 0.3917 0.390 0.350 0.342 0.5
0.5 0.288 0.5 0.25 0.157 0.157 0.0 0.156 0.25 0.213
ho 5.0 14.5 5.1 4.8 2.2 2.2 3.6 4.6 7.0 3.3
occ
1.0 1.0 1.0 1.0 0.6667 0.3333 1.0 1.0 1.0 1.0
Tetrapropylammonium
REFINED
COMPOSITION: CRYSTAL
ZSM-5
(Si960192).4C12N
DATA:
REFERENCE:
Pnma (No. 62) a = 20.022 A b = 19.899 A o! = 9o” p = 9o” X-ray single crystal refinement,
c = 13.383 A y = 9o” R, = 0.044
H. van Koningsveld, H. van Bekkum Acta Cryst. B43, 127-132 (1987).
Atom
X
Sil Si2 Si3 Si4 Si5 Si6 Si7 Si8 Si9 Silo Sill Si12 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 017 018 019 020 021 022
0.42238 0.30716 0.27911 0.12215 0.07128 0.18641 0.42265 0.30778 0.27554 0.12058 0.07044 0.18706 0.3726 0.3084 0.2007 0.0969 0.1149 0.2435 0.3742 0.3085 0.1980 0.0910 0.1169 0.2448 0.3047 0.0768 0.4161 0.4086 0.4020 0.1886 0.1940 0.1951 -0.0037 -0.0040
Y 0.05650 0.02772 0.06127 0.06298 0.02722 0.05896 -0.17250 -0.13016 -0.17279 -0.17310 -0.13037 -0.17327 0.0534 0.0587 0.0592 0.0611 0.0541 0.0553 -0.1561 -0.1552 -0.1554 -0.1614 -0.1578 -0.1594 -0.0510 -0.0519 0.1276 -0.0017 -0.1314 0.1298 0.0007 -0.1291 0.0502 -0.1528
and J. C. Jansen,
z
&so
OCC
-0.33598 -0.18930 0.03120 0.02670 -0.18551 -0.32818 -0.32718 -0.18548 0.03109 0.02979 -0.18200 -0.31933 -0.2442 -0.0789 0.0289 -0.0856 -0.2763 -0.2460 -0.2372 -0.0728 0.0288 -0.0777 -0.2694 -0.2422 -0.1866 -0.1769 -0.3896 -0.4136 -0.4239 -0.3836 -0.4082 -0.4190 -0.2080 -0.2078
1.39 1.63 1.52 1.43 1.26 1.41 1.46 1.57 1.39 1.52 1.52 1.58 3.87 3.16 5.05 3.47 2.68 3.63 3.71 3.47 3.16 4.58 3.79 4.34 5.61 3.71 3.47 3.63 3.16 2.84 3.55 3.4 2.61 3.16
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
continued.
..
Zeolites
16:323-602,
1996
745
MFI
Tetrapropylammonium . . . continued
from previous page Atom 023 024 025 026 N Cl c2 c3 c4 c5 C6 c7 C8 c9 Cl0 Cl1 Cl2 c21 c22 C23 C24 C25 C26 C27 C28
746
Zeolites
16:323-802,
ZSM-5
1996
z 0.4192 0.1884 0.2883 0.1085 0.4762 0.495 0.568 0.578 0.399 0.355 0.278 0.505 0.473 0.496 0.508 0.490 0.529 0.413 0.355 0.285 0.534 0.546 0.601 0.468 0.516
Y -0.2500 -0.2500 -0.2500 -0.2500 0.250 0.233 0.250 0.250 0.274 0.228 0.250 0.319 0.334 0.412 0.199 0.124 0.088 0.229 0.272 0.250 0.279 0.225 0.250 0.315 0.335
z
&so
occ
-0.3540 3.47 1.0 -0.3538 2.68 1.0 0.0579 2.61 1.0 0.0611 2.37 1.0 -0.1095 5.45 1.0 -0.221 4.58 0.3 -0.241 7.66 0.6 -0.362 7.74 0.6 -0.100 5.05 0.3 -0.150 10.74 0.3 -0.147 8.21 0.6 -0.089 5.13 0.3 -0.019 6.55 0.3 0.045 6.95 0.5 -0.032 9.55 0.5 -0.045 8.61 0.5 0.033 5.68 0.5 -0.166 6.55 0.2 -0.150 10.74 0.2 -0.195 8.69 0.4 -0.185 5.29 0.2 -0.263 5.76 0.2 -0.332 10.19 0.4 -0.060 4.82 0.2 0.020 4.82 0.2
Calcined
REFINED coMPosITIoN: CRYSTAL
sig60192
DATA:
REFERENCE:
MFI
ZSM-5
Pl 21/n 1 (No. 14) unique axis b, cell choice 2 a = 19.879 A b = 20.107 A c = 13.369 A a = 90” j3 = 90.67” y = 90” X-ray single crystal refinement, R, = 0.045 H. van Koningsveld, Zeolites 10, 235-242
Atom Sil Si2 Si3 Si4 Si5 Si6 Si7 Si8 Si9 Silo Sill Si12 Si13 Si14 Si15 Si16 Si17 Si18 Si19 Si20 Si21 Si22 Si23 Si24 01 02 03 04 05 06 07 08 09 010
X
0.05546 0.03090 0.06249 0.06233 0.02804 0.05585 -0.17148 -0.12653 -0.17590 -0.17634 -0.12939 -0.16528 0.44297 0.47305 0.43889 0.43563 0.47315 0.43778 0.67204 0.63130 0.66892 0.67007 0.63082 0.68070 0.0588 0.0662 0.0472 0.0671 0.0443 0.0477 -0.1533 -0.1669 -0.1558 -0.1689
J. C. Jansen and H. van Bekkum, (1990).
Y 0.42056 0.31368 0.27960 0.12395 0.07678 0.19556 0.42542 0.31225 0.27325 0.11895 0.07156 0.19079 0.42837 0.31237 0.27704 0.12155 0.07096 0.18737 0.42389 0.31278 0.27312 0.11867 0.07268 0.19446 0.3779 0.3106 0.2018 0.1032 0.1230 0.2483 0.3769 0.3050 0.1960 0.0885
2
&so
OCC
-0.31990 -0.16358 0.05346 0.03674 -0.15797 -0.31331 -0.31930 -0.17388 0.03597 0.03436 -0.17516 -0.31408 -0.33456 -0.18814 0.02940 0.03380 -0.17844 -0.31743 -0.31417 -0.16836 0.04608 0.03868 -0.17757 -0.29789 -0.2194 -0.0564 0.0465 -0.0784 -0.2693 -0.2248 -0.2289 -0.0725 0.0316 -0.0753
0.26 0.29 0.29 0.29 0.26 0.26 0.29 0.29 0.26 0.29 0.29 0.29 0.26 0.29 0.29 0.29 0.26 0.29 0.26 0.32 0.29 0.29 0.32 0.26 0.79 0.63 0.92 0.63 0.66 0.89 0.89 0.79 0.76 0.89
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
continued.
..
Zeolites
16:323-802,
1996
747
MFI
Calcined . . . continued
from previous
Atom 011 012 013 014 015 016 017 018 019 020 021 022 023 024 025 026 027 028 029 030 031 032 033 034 035 036 037 038 039 040 041 042 043 044 045 046 047 048
748
Zeolites
16:323-802,
1996
ZSM-5
page z
Y
z
-0.1511 0.1208 -0.2630 -0.1376 0.2483 -0.2424 -0.0485 0.3189 -0.1490 -0.0509 0.0781 -0.1529 0.1253 0.4145 -0.3771 -0.0041 0.3923 -0.3892 -0.1340 0.4022 -0.4186 0.1298 0.2003 -0.3583 0.0026 0.2099 -0.4008 -0.1275 0.1948 -0.4188 0.0515 0.0032 -0.2041 -0.1475 -0.0023 -0.2098 -0.2501 0.4239 -0.3413 -0.2435 0.1987 -0.3356 -0.2525 0.2822 0.0676 -0.2526 0.1101 0.0697 0.4503 0.3799 -0.2408 0.4480 0.3143 -0.0754 0.4318 0.1991 0.0094 0.4478 0.0812 -0.0669 0.4351 0.1206 -0.2527 0.4401 0.2505 -0.2451 0.6590 0.3797 -0.2169 0.6459 0.3148 -0.0508 0.6513 0.1961 0.0270 0.6559 0.0822 -0.0653 0.6678 0.1232 -0.2504 0.6694 0.2497 -0.2144 0.5530 0.3054 -0.1913 0.5519 0.0851 -0.1834 0.3714 0.4186 -0.3885 0.5015 0.4154 -0.4135 0.6320 0.3938 -0.4087 0.3711 0.1900 -0.3847 0.5032 0.1862 -0.3863 0.6326 0.2074 -0.3914 0.4576 -0.0039 -0.2104 0.6481 -0.0013 -0.2120
Biso 0.87 0.95 1.03 0.74 0.82 0.87 0.71 0.63 0.82 0.68 0.58 0.68 0.82 0.68 0.61 0.53 0.92 0.68 0.82 0.84 0.63 0.79 0.74 0.58 0.68 0.92 0.92 0.84 1.05 0.84 0.89 0.76 0.74 0.66 0.74 0.92 0.66 0.71
OCC
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
ZSM-57
REFINED
coMPosITIoN: CRYSTAL
DATA:
REFERENCE:
SiO, framework
&X6072 Imm2 (No. 44) a = 7.4510 A b = 14.1711 A Q = 90” p = 90” DLS refinement. J. L. Schlenker, J. B. Higgins Zeolites 10. 293-296 (1990).
Atom Sil Si2 Si3 Si4 Si5 Si6 Si7 Si8 01 02 03 04 05 06 07 08 09 010 011 012 013 014
X 0.0000 0.0000 0.0000
0.2941 0.2057 0.2939 0.0000 0.2945 0.0000 0.1754 0.0000 0.1755 0.8255 0.0000 0.5000 0.2531 0.0000 0.2441 0.5000 0.5000 0.1748 0.2570
Y 0.0000 0.2043 0.6998 0.0000 0.1963 0.7017 0.5000 0.5000 0.0915 0.0000 0.2369 0.2405 0.7253 0.5912 0.0000 0.0916 0.2031 0.2688 0.7234 0.5000 0.5000 0.5917
c = 18.767 A y = 90”
and E. W. Valyocsik,
Z 0.0000
0.9486 0.7986 0.1176 0.1848 0.0427 0.8668 0.9848 0.9503 0.0473 0.8678 0.9876 0.7524 0.8173 0.0946 0.1632 0.2079 0.1221 0.0276 0.9611 0.9149 0.0319
Zeolites
16:323-802.
1996
749
MON
Montesommaite
REFINED
COMPOSITION:
CRYSTAL
DATA:
K4.24(Si11.3A14.7032).4HzO Pollena, Mt. Somma-Vesuvius.
I4 1/ amd (No. a = 7.141 A
ck= 90” X-ray REFERENCE:
K Si Al 01 02 03 H20
Zeolites
16:323-802,
1996
141) origin at centre (2/m) b = 7.141 A c = 17.307 A ,ti = 90” y = 90” refinement of idealized substructure,
R. C. Rouse, P. J. Dunn. J. D. Grice, J. L. Schlenker Am. Mineral. 75, 1415--1420, (1990).
Atom
750
powder
Italy.
cl0.000 0.000 0.000 0.000
0.186 0.000 0.000
Y 0.000 0.463 0.463 0.250 0.436 0.000 0.250
z
&so
occ
0.500 0.090 0.090 0.116 0.875 0.000 0.342
1.97 0.39 0.39 1.18 1.18 1.18 1.18
0.53 0.706 0.294 1.0 1.0 1.0 0.5
R = 0.10 and J. B. Higgins,
MO&R
Mordenite
REFINED
COMPOSITION:
CRYSTAL
Nas(Si40Als096).25H20 Challis, Idaho, U.S.A.
DATA:
REFERENCE:
Cmcm (No. 63) a = 18.11 A b = 20.53 8, cx = 90” p = 90” X-ray single crystal refinement, V. Gramlich, PhD dissertation, And V. Gramlich,
Atom Nal Na2 Sil Si2 Si3 Si4 All Al2 01 02 03 04 05 06 07 08 09 010 Hz01 Hz02 Hz03 Hz04 Hz05
2 0.0 0.0
0.19897 0.19656 0.0871 0.0866 0.0871 0.0866 0.1232 0.1226 0.2632 0.0974 0.1694 0.1769 0.2324 0.25 0.0 0.0 0.040 0.0 0.0 0.109 0.0
c = 7.528 H, y = 90” R = 0.07
ETH, Zurich, (1971). private communication.
Y
z
0.5 0.4335 0.42771 0.19092 0.3840 0.2280 0.3840 0.2280 0.4170 0.1946 0.3776 0.3057 0.1946 0.4212 0.5 0.25 0.4071 0.2061 0.303 0.181 0.094 0.030 -0.009
0.0 0.75 0.5418 0.5454 0.25 0.25 0.25 0.25 0.4292 0.4262 0.4887 0.25 0.75 0.75 0.5 0.5 0.25 0.25 0.75 0.75 0.502 0.75 0.25
&so 2.50 4.95 1.37 1.49 1.21 1.32 1.21 1.32 3.09 2.95 3.63 3.61 3.62 2.66 2.35 4.72 2.17 3.00 16.32 13.84 21.32 17.5 22.84
occ 1.0 1.0 1.0 1.0 0.5 0.5 0.5 0.5 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.5 1.0 1.0 1.0 0.25
Zeolites
16:323-802,
1996
751
MOR REFINED
Maricopaite
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
Pblo.ss(Si36.38A111.020104).26.5H20 Moon Anchor Mine, Tonopah, AZ, U.S.A. Interrupted MOR framework. Cm2m (No. 38) cab setting a = 19.432 A b = 19.702 A Q = 90” p = 90” X-ray single crystal refinement;
c = 7.538 A y = 90” R, = 0.051
R. C. Rouse and D. R. Peacor, Am. Mineral. 79, 175-184 (1994).
Atom Pbl Pb2 Pb3 Pb4 Sil Si2 Si3 Si4 Si5 Si6 Si7 Si8 All Al2 Al3 Al4 Al6 Al7 Al8 01 02 03 04 05 06 07 08 09 010 011 012 013 014
X
0.0975 0.0977 0.0 0.0 0.1790 0.3211 0.2546 0.1395 0.1342 0.2554 0.0794 0.0817 0.1790 0.3211 0.2546 0.1395 0.2554 0.0794 0.0817 0.1861 0.0810 0.0932 0.0862 0.3443 0.1820 0.3134 0.1607 0.0863 0.1865 0.2500 0.1164 0.3832 0.2897
Y 0.1044 0.8988 0.9662 0.0359 0.2907 0.2169 0.9283 0.9238 0.0843 0.0779 0.2311 0.7763 0.2907 0.2169 0.9283 0.9238 0.0779 0.2311 0.7763 0.9200 0.144 0.9916 0.8586 0.2307 0.0864 0.1342 0.2769 0.0162 0.3708 0.2536 0.2604 0.2424 0.0030
z 0.500 0.0 0.2377 0.2516 0.2956 0.2043 0.2076 0.500 0.0 0.2885 0.0 0.500 0.2956 0.2043 0.2076 0.500 0.2885 0.0 0.500 0.3250 0.0 0.500 0.500 0.0 0.1811 0.2417 0.500 0.0 0.2641 0.2506 0.1761 0.3218 0.2460
continued. 752
Zeolites
16:323-802,
1996
occ
&J 2.25 1.83 2.29 3.4 1.17 1.38 1.18 1.0 1.1 1.26 1.6 1.1 1.17 1.38 1.18 1.0 1.26 1.6 1.1 2.9 2.3 3.8 1.4 2.2 1.7 2.3 3.5 2.4 2.0 3.6 3.0 3.3 2.5
0.83 0.245 0.622 0.175 0.736 0.735 0.736 0.736 1.0 0.736 0.736 0.736 0.264 0.264 0.264 0.234 0.234 0.234 0.234 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 ..
MO,R
Maricopaite . . . continued
from previous
Atom 015 016 017 018 Hz019 Hz020 Hz021 Hz022 Hz023 Hz024 Hz025 Hz026 Hz027 Hz028
page
2 0.2278 0.2340 0.0 0.0 0.0 0.0 0.085 0.0 0.061 0.077 0.074 0.079 0.070 0.0
Y 0.9219 0.0838 0.2530 0.7557 0.0828 0.231 0.561 0.501 0.594 0.456 0.457 0.871 0.151 0.933
&so 0.0 2.5 0.500 2.0 0.0 2.5 0.500 2.6 0.3098 2.2 0.500 2.6 0.0 2.6 0.099 2.6 0.500 2.6 0.241 2.6 0.385 2.6 0.0 2.6 0.500 2.6 0.215 2.6 Z
occ
1.0 1.0 1.0 1.0 0.925 0.95 0.6 0.5 0.275 0.175 0.2 0.575 0.175 0.475
Zeolites
16:323-802,
1996
753
MTN REFINED
Dodecasil
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
(Si1360272) .N24 Fdz (No. 203) origin at centre (3) a = 19.402 A b = 19.402 A c = 19.402 A a = 90” B = 90” y = 90” X-ray single crystal refinement, R, = 0.06 H. Gies, Z. Kristallogr.
Atom Sil Si2 Si3 01 02 03 04 Nl N2
754 Zeolites
16:323-802,
1996
3C
X
0.0676 0.2164 0.125 0.0932 0.0433 0.125 0.1704 0.0 0.625
167, 73-82 (1984).
Y 0.0676 0.2164 0.125 0.4065 0.2995 0.3734 0.1704 0.0 0.625
25
0.3700 0.2164 0.125 -0.0001 0.4505 0.125 0.1704 0.0 0.625
Biso
occ
2.04 1.53 1.42 4.97 6.24 4.29 9.32 20.0 20.0
1.0 1.0 1.0 1.0 1.0
1.0 1.0 1.0 1.0
Ammonium
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
fluoride
MTT
EM-23
(Si2404s).(NF)1.72 P1211 (No. 4) unique axis b a = 11.129 A b = 5.025 A c = 21.519 A a = 90” p = 89.85” y = 90” X-ray Rietveld refinement, Rexp = 0.033, Rwp =
0.085, RF = 0.089
B. Marler, C. Deroche, H. Gies, C. A. Fyfe, H. Grondey, Y. Feng, S. Ernst, J. Weitkamp and D. E. Cox, J. Appl. Cryst. 26, 636-644 (1993).
Atom Sil Si2 Si3 Si4 Si5 Si6 Si7 Si8 Si9 Silo Sill Si12 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 017 018 019 020 021 022 023 024 F N
2
Y
-0.009 -0.02 0.726 0.228 0.312 0.476 0.346 0.600 -0.010 0.726 0.232 0.355 0.603 0.012 0.866 0.093 0.683 0.655 0.231 0.317 0.368 0.564 0.486 0.866 0.100 0.679 0.226 0.553 0.497 0.708 0.322 -0.001 0.701 0.269 0.422 0.652 0.285 0.938 0.89
-0.082 -0.112 0.00 0.503 0.390 0.417 -0.10 -0.012 -0.077 0.424 0.487 0.27 -0.02 -0.09 -0.04 0.122 -0.05 0.085 0.292 0.49 0.44 -0.07 -0.05 -0.03 -0.03 0.43 0.46 0.28 0.130 0.11 0.621 0.584 0.797 0.786 0.632 0.55 0.06
2.
0.4578 0.425 0.384 0.251 0.249 0.434 0.378 0.0422 0.077 0.118 0.063 0.120 0.487 0.422 0.408 0.495 0.381 0.311 0.419 0.254 0.308 0.423 0.079 0.089 0.008 0.192 0.189 0.071 0.103 0.086 -0.014 0.401 0.392 0.246 0.120 0.106 0.215 0.261
BiSO 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 1.03 31.58 31.58
G. T. Kokotailo,
occ 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.86 0.86
Zeolites
16:323-802,
1996
755
MTW REFINED
Calcined
coI\/IPosITIoN: CRYSTAL
si560112
DATA:
Cl 2/c 1 (No. 15) unique axis b. cell choice 1 a = 24.8633 A b = 5.01238 A c = 24.3275 A ,?I = 107.7215” y = 90” Q’ = 90” X-ray Rietveld refinement, RexP = 0.058, R,, = 0.181, RI = 0.069 C. A. Fyfe, H. Gies, G. T. Kokotailo, B. Marler J. Phys. Chem. 94, 3718-3721, (1990).
REFERENCE:
Atom Sil Si2 Si3 Si4 Si5 Si6 Si7 01 02 03 04 05 06 07 08 09 010 011 012 013 014
Overall
756
Zeolites
16:323-802,
ZSM-12
thermal
1996
parameter
X
0.4402 0.0678 0.3754 0.1338 0.2836 0.2139 0.2869 0.4280 0.5034 0.4245 0.3301 0.0841 0.3452 0.2504 0.2602 0.1554 0.1853 0.2997 0.3995 0.1069 0.2343
Y
z
0.5319
0.4129 0.4589 0.3609 0.4484 0.4275 0.3832 0.2463 0.4730 0.4225 0.3872 0.3956 0.4513 0.2972 0.2629 0.4078 0.3911 0.5026 0.1886 0.3702 0.4394 0.4093
-0.0708 0.0320 0.4218 0.0822 0.5853 0.0100 0.5053 0.4725 0.8220 -0.0045 -0.3624 -0.0218 0.2441 0.3716 0.5101 0.4480 0.0905 0.3370 0.1372 0.8828
and D. E. Cox,
B = 0.01 was used in the refinement.
NAT
Natrolite
REFINED
COMPOSITION:
CRYSTAL
Nals(Siz~AllsOso).16HzO Aussig, Bohemia.
DATA:
Fdd2
(No. 43)
a = 18.30 A
b = 18.63 A p = 90” (u = 90” X-ray single crystal refinement, REFERENCE:
W. M. Meier, Z. Kristallogr.
Atom Na Sil Si2 Al 01 02 03 04 05 Hz0
113, 430-444
c = 6.60 A y = 90” R,, = 0.08
(1960).
2
Y
z
Biso
OCC
0.2208 0.0 0.1532 0.0376 0.0227 0.0704 0.0986 0.2063 0.1799 0.0564
0.0305 0.0 0.2112 0.0936 0.0683 0.1824 0.0346 0.1526 0.2272 0.1893
0.6120 0.0 0.6181 0.6119 0.8594 0.6011 0.4997 0.7166 0.3860 0.1085
2.00 1.07 1.0 1.12 1.81 1.10 1.55 1.24 1.83 2.50
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-802,
1996
757
NAT
Gonnardite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
Occupancy
758
Zeolites
16:323-802,
1996
(Na~.~~sCa~.~~~)(Si~~.~~A1~.~~0~~)~12H~O~Hs Tvedalen, Langesund District, Norway. I32d (No. 122) a = 13.21 A b = 13.21 ih ct = 90” p = 90” X-ray single crystal refinement,
c = 6.622 ii y = 90” R = 0.03
F. Mazzi, A. 0. Larsen, G. Gottardi and E. Galli, Neues Jarhb. Mineral. Monatsh. 219-228 (1986).
Atom
X
Na+ Ca2+ Si Si4+ Si Si’+ Al Al”+ Al A13+ 0 020 020 02Hz01 Hz02 H
0.3084 0.3084 0.0 0.0 0.1332 0.1332 0.0 0.0 0.1332 0.1332 0.25 0.25 0.0917 0.0917 0.4369 0.4369 0.2500 0.1280 0.2500
Y 0.2500 0.2500 0.0 0.0 0.0536 0.0536 0.0 0.0 0.0536 0.0536 0.1037 0.1037 0.4497 0.4497 0.3674 0.3674 0.3652 0.2434 0.4272
z
&3
occ
0.1250 0.1250 0.0 0.0 0.3789 0.3789 0.0 0.0 0.3789 0.3789 0.375 0.375 0.1094 0.1094 0.0210 0.0210 0.3750 0.0545 0.3750
2.35 2.35 0.84 0.84 0.78 0.78 0.84 0.84 0.78 0.78 1.16 1.16 1.71 1.71 1.64 1.64 3.36 6.02 0.11
0.816 0.184 0.284 0.29 0.292 0.205 0.189 0.237 0.238 0.265 0.271 0.729 0.271 0.729 0.271 0.729 1.0 0.25 1.0
of second SI“+ site has been corrected
from 0.265 to 0.205.
NAT REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
(NaCa)re(Si~2A14s02~e).64H20 Poona, India. Fdd2 (No. 43) a = 18.4049 A b = 56.655 A a = 90” p = 90” X-ray single crystal refinement,
c = 6.5443 A y = 90” R, = 0.052
G. Artioli, J. V. Smith and J. J. Pluth, Acta Cryst. C42, 937-942 (1986). Atom Na Ca Sil Si2 Si3 Si4 Si5 All Al2 AI3 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 Hll H12 H21 H22 H31 H32 H41 H42 021 022 023 024
X
0.96736 0.22807 0.75000 0.15499 0.90188 0.08794 0.00435 0.78689 0.03630 0.95155 0.76818 0.02298 0.98498 0.82365 0.07262 0.16644 0.84335 0.09631 0.88933 0.95568 0.20947 0.02193 0.93735 0.18020 0.07638 0.0450 0.0881 0.7773 0.8085 0.2274 0.1685 0.8072 0.8615 0.05347 0.78167 0.20069 0.81793
Y 0.76089 0.82737 0.75000 0.76432 0.81979 0.84688 0.83180 0.78025 0.80211 0.86233 0.77289 0.80800 0.85319 0.80837 0.77385 0.85935 0.75866 0.82339 0.84183 0.80062 0.78462 0.86358 0.82799 0.75695 0.83892 0.7813 0.7679 0.8037 0.8232 0.8560 0.8438 0.8702 0.8525 0.76839 0.81598 0.84820 0.85687
2
0.63172 0.88068 0.00000 0.87210 0.65040 0.65213 0.27740 0.61310 0.89287 0.89294 0.86482 0.15228 0.12809 0.59682 0.86425 0.67096 0.51529 0.79447 0.80185 0.75319 0.95950 0.71805 0.43383 0.64166 0.41273 0.322 0.420 0.018 0.004 0.247 0.260 0.387 0.359 0.37684 0.07685 0.18338 0.36556
Biso 1.48 0.91 0.55 0.48 0.50 0.52 0.53 0.50 0.52 0.51 1.03 0.98 1.18 0.70 0.72 0.83 1.00 0.93 0.98 1.06 0.86 1.00 1.09 1.06 0.99 0.7 0.9 1.0 2.7 2.1 1.2 0.6 2.0 1.67 2.83 2.46 2.05
OCC
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:3X3-802,
1996
759
NAT
Scolecite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
760
Zeolites
16:323-802,
1996
Ca4(Sir2Als04c).12HzO Bombay, India. Clcl (No. 9) unique axis b, cell choice 1 a = 6.5222 A b = 18.9678 A c = 9.8398 A o! = 90” p = 109.972” y = 90” X-ray single crystal refinement, R, = 0.031 J. V. Smith, J. J. Pluth, G. Artioli and F. K. Ross, Proc. 6th International Zeolite Conf., Reno 1983, Ed. by D. H. Olson and A. Bisio, Butterworths, London, 842-850 (1984).
Atom
2
Y
z
Biso
OCC
Ca Sil Si2 Si3 All Al2 01 02 03 04 05 06 07 08 09 010 Hz01 Hz02 H203
0.16217 0.5 0.22996 0.54002 0.93441 0.35577 0.5425 0.4471 0.3834 0.1153 0.3536 0.0863 0.4143 0.0764 0.7889 0.6603 0.8906 0.9080 0.5787
0.14321 0.37057 0.33185 0.08259 0.46209 0.21663 0.03146 0.04597 0.15127 0.19942 0.29954 0.27133 0.35860 0.39545 0.11007 0.43692 0.0803 0.3263 0.4454
0.05204 0.0 0.20022 0.33102 0.09971 0.43387 0.4608 0.1174 0.3157 0.4684 0.3584 0.0907 0.1343 0.2150 0.3566 0.0339 0.1082 0.4407 0.3742
0.76 0.44 0.43 0.42 0.45 0.43 0.85 0.66 0.77 0.79 0.63 0.80 0.91 0.89 0.82 0.92 2.22 2.33 1.81
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
NES
NU-87 REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
(SissOrss).20H20 Pl 21/c 1 (No. 14) unique axis b, cell choice 1 a = 14.324 A b = 22.376 A c = 25.092 A a = 90” p = 151.515” y = 90” X-ray Rietveld refinement, Rexp = 0.075, Rwp = 0.14,
RI = 0.065
M. D. Shannon, J. L. Casci, P. A. Cox and S. J. Andrews, Nature 353, 417-420 (1991).
Atom
X
Y
2
Sil Si2 Si3 Si4 Si5 Si6 Si7 Si8 Si9 Silo Sill Si12 Si13 Si14 Si15 Si16 Si17 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 017
0.640 0.473 0.028 0.228 0.226 0.412 0.421 0.666 0.654 0.606 0.604 0.456 0.451 0.035 0.038 0.033 0.031 0.242 0.550 0.870 0.242 0.588 0.553 0.579 0.533 0.002 -0.006 0.001 0.350 0.318 0.675 0.651 0.240 0.244
0.1717 0.1970 0.2218 0.0010 0.0039 0.1280 0.1200 0.1299 0.1237 0.1816 0.1838 0.1822 0.1837 0.1941 0.2969 0.2154 0.2175 0.009 0.2367 0.1734 0.194 0.133 0.141 0.168 0.159 0.2773 0.2429 0.003 0.0523 0.0626 0.0611 0.0530 0.163 0.1761
0.324 0.738 0.500 0.178 0.048 0.108 0.308 0.737 0.924 0.496 0.109 0.536 0.917 0.100 0.406 0.307 0.697 0.121 0.284 0.434 0.614 0.349 0.228 0.741 0.818 0.526 0.423 0.083 0.269 0.066 0.757 0.911 0.206 0.023
continued. . .
Zeolites
16:323-802,
1996
761
NU-87
NES . . . continued
from previous
No temperature
762
Zeolites
16:323-802,
1996
page Atom
2
018 019 020 021 022 023 024 02.5 026 027 028 029 030 031 032 033 034 Hz01 Hz02 Hz03 Hz04 Hz05
0.880 0.873 0.508 0.535 0.533 0.563 0.521 0.526 0.555 0.509 0.838 0.837 0.223 0.219 0.026 0.037 0.036 0.233 0.39 0.08 -0.03 0.01
factors
Y 0.152 0.146 0.133 0.134 0.137 0.138 0.2479 0.2499 0.163 0.167 0.178 0.180 0.176 0.176 0.2544 0.2734 0.2360 0.037 0.016 0.044 0.037 0.065
or occupancies
z 0.833 1.031 0.409 0.116 0.619 0.935 0.440 0.587 0.531 0.006 0.605 0.221 0.414 0.793 0.640 0.345 0.2480 0.568 0.917 0.268 0.313 0.61
were reported.
2-aminopentane
REFINED
COMPOSITION: CRYSTAL
DATA:
(SissOi7s).Cse
Fmmm (No. 69) a = 22.232 A b = 15.058 A cl = 90” p = 90” X-ray
REFERENCE:
Nonasil
single crystal
refinement,
c = 13.627 A y = 90” R, = 0.125
B. Marler, N. Dehnbostel, H. H. Eulert, H. Gies and F. Liebau, J. Inclusion Phenomena 4, 339-349 (1986).
Atom Sil Si2 Si3 Si4 Si5 01 02 03 04 05 06 07 08 09 010 Cl c2 c3
z 0.3745
0.2798 0.2950 0.5000 0.3173 0.3356 0.4427 0.3520 0.2702 0.3197 0.3667
0.0000 0.5000 0.2500 0.2500 0.5000
0.4659 0.0000
Y 0.1635 0.5000 0.3270 0.1051 0.5000 0.3282 0.1462 0.4050 0.4329 0.5000 0.2500 0.0000 0.1155 0.0000 0.2500 0.4489 0.3547 0.0000
z 0.3103 0.5000 0.0000 0.6156 0.2831 0.9056 0.3374 0.2525 0.0000 0.5937 0.2500 0.1392 0.5000 0.2500 0.0000 0.5700 0.5000 0.5000
&so 1.66 2.05 2.84 0.32 2.29 5.13 1.97 10.11 12.79 3.4 17.13 2.05 0.39 1.82 9.95 19.11 10.11 32.37
occ 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-802.
1996
763
OFF
Offretite
REFINED
COMPOSITION:
CRYSTAL
(KMg0.82Ca0.92)(Si1s@s).9.84H20 Mt’. Simiouse, France.
PEm2 (No. 187) a = 13.291 A b = 13.291 A
DATA:
a = 90” p = 90” X-ray single crystal refinement, REFERENCE:
J. A. Gard and J. M. Tait, Acta Cryst. B28, 825-834 (1972).
Atom
764
Zeolites
16:323-602,
1996
c = 7.582 ii y = 120” R = 0.11
Y
X
K
0.0
0.0
Mg Cal Ca2 Sil Si2 01 02 03 04 05 06 H201 Hz02 Hz03 Hz04 Hz05 H*06 Hz07
0.33333 0.66667 0.0 0.0027 0.0930 0.029 0.101 0.255 0.012 0.230 0.075 0.33333 0.243 0.16 0.485 0.562 0.53 0.66667
0.66667 0.33333 0.0 0.2342 0.4251 0.351 0.202 0.127 0.267 0.460 0.537 0.66667 0.486 0.52 0.242 0.438 0.35 0.33333
2
Biso
OCC
0.5 0.0 0.377 0.13 0.2085 0.5 0.329 0.257 0.293 0.0 0.5 0.5 0.261 0.0 0.0 0.5 0.172 0.0 0.24
2.2 1.8 3.3 4.0 0.88 0.68 2.29 2.2 3.3 1.5 1.5 2.0 1.7 1.7 2.6 4.0 4.7 3.0 1.6
1.0 0.82 0.39 0.07 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.90 0.34 0.14 0.58 0.47 0.17 0.30
-PAR
Partheite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
Cas(SireAli60ee(OH)s)‘16H20 Taurus Mountains, Turkey. Cl 2/c 1 (No. 15) unique axis b, cell choice 1 a = 21.555 A b = 8.761 A c = 9.304 A a = 90” p = 91.55” y = 90” X-ray single crystal refinement, R = 0.07 N. Engel and K. Yvon, Z. Kristallogr. 169, 165-175
Atom
X
Y
Ca Sil Si2 All Al2 01 02 03 04 05 06 07 08 OH H201 H202
0.35586 0.06729 0.23983 0.1161 0.1999 0.0695 0.0725 0.1222 0.1722 0.2081 0.2345 0.2340 0.0 0.3523 0.0712 0.4541
0.1991 0.1832 0.0077 0.0844 0.3162 0.0181 0.1719 0.2883 0.0363 0.4669 0.1550 0.3599 0.2632 0.2673 0.5050 0.3070
(1984).
0.0444 0.2896 0.4621 0.6006 0.2858 0.2162 0.4626 0.2295 0.0250 0.4096 0.3605 0.1221 0.2500 0.2918 0.0159 0.0800
Biso
OCC
0.93 0.53 0.46 0.56 0.51 0.73 0.84 0.89 0.86 0.71 0.84 0.76 0.63 1.11 2.62 1.72
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-802,
1996
765
PAU
Paulingite
REFINED
COMPOSITION:
CRYSTAL
(Na 9 68 K, 50 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Rock Island Dam. Washington, U.S.A.
DATA:
REFERENCE:
I&m (No. 229) a = 35.093 A b = 35.093 A /J = 90” cl = 90” X-ray single crystal refinement,
c = 35.093 A y = 90” R = 0.14
E. K. Gordon. S. Samson and W. B. Kamb, Science 154, 1004.-1007 (1966).
Atom Nal Na2 Na3 Kl K2 K3 Cal Ca2 Ca3 Bal Ba2 Ba3 Sil Si2 Si3 Si4 Si5 Si6 Si7 Si8 All Al2 Al3 Al4 Al5 Al6 Al7 Al8 01 02 03 04 05 06
“.
rl
0.1788 0.2543 0.3975 0.1788 0.2543 0.3975 0.1788 0.2543 0.3975 0.1788 0.2543 0.3975 0.3137 0.4021 0.3132 0.4558 0.4019 0.3126 0.2592 0.1708 0.3137 0.4021 0.3132 0.4558 0.4019 0.3126 0.2592 0.1708 0.1635 0.2679 0.3041 0.4092 0.4484 0.4489
Y 0.1788 0.2543 0.3975 0.1788 0.2543 0.3975 0.1788 0.2543 0.3975 0.1788 0.2543 0.3975 0.25 0.25 0.2498 0.1072 0.1782 0.1785 0.1073 0.1076 0.25 0.25 0.2498 0.1072 0.1782 0.1785 0.1073 0.1076 0.0933 0.0968 0.1886 0.1900 0.0952 0.3794
z
&so
occ
0.1788 0.0 0.1445 0.1788 0.0 0.1445 0.1788 0.0 0.1445 0.1788 0.0 0.1445 0.1863 0.0979 0.0979 0.0443 0.0448 0.0446 0.0445 0.0441 0.1863 0.0979 0.0979 0.0443 0.0448 0.0446 0.0445 0.0441 0.0 0.0 0.0 0.0 0.0 0.0
2.4 3.0 5.5 2.4 3.0 5.5 2.4 3.0 5.5 2.4 3.0 5.5 0.47 0.46 0.48 0.54 0.45 0.40 0.36 0.44 0.47 0.46 0.48 0.54 0.45 0.40 0.36 0.44 1.4 1.3 1.4 1.8 1.6 1.8
0.11 0.11 0.11 0.574 0.574 0.574 0.304 0.304 0.304 0.012 0.012 0.012 0.774 0.774 0.774 0.774 0.774 0.774 0.774 0.774 0.226 0.226 0.226 0.226 0.226 0.226 0.226 0.226 1.0 1.0 1.0 1.0 1.0 1.0
contin rued. . . 766
Zeolites
16:323-802,
1996
Paulingite . . . continued
from previous
Atom 07 08 09 010 011 012 013 014 015 016 017 018 019 020 Hz01 Hz02 Hz03 Hz04 Hz05
H2O6 Hz07
Hz08 Hz09 Hz010 Hz011 Hz012 H&13 &old
page 2
Y
z
0.0713 0.4308 0.1437 0.2860 0.2868 0.4299 0.2152 0.2870 0.3573 0.4278 0.3002 0.4148 0.3576 0.3080 0.140 0.217 0.209 0.348 0.350 0.220 0.139 0.334 0.422 0.292 0.367 0.178 0.270 0.458
0.0713 0.4308 0.1437 0.2860 0.2868 0.4299 0.1211 0.1414 0.1672 0.1417 0.2163 0.2142 0.2623 0.2351 0.140 0.217 0.209 0.348 0.350 0.220 0.139 0.275 0.285 0.5 0.367 0.0 0.0 0.0
0.1610 0.2322 0.0545 0.1965 0.0890 0.0548 0.0496 0.0582 0.0525 0.0573 0.0693 0.0710 0.0909 0.1419 0.140 0.217 0.053 0.200 0.082 0.140 0.217 0.0 0.0 0.0 0.0 0.0 0.0 0.0
I& 1.4 1.9 1.5 1.6 1.7 2.0 1.2 1.8 1.5 2.3 1.9 1.9 1.6 1.5 5.7 4.2 6.2 5.5 11.5 15.0 15.0 15.0 15.0 15.0 15.0 15.0 15.0 15.0
OCC
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-802,
1996
767
Phillipsite
REFINED
COMPOSITION:
CRYSTAL
(K~Ca~.6~s)(Si~~.~A1~.~0~~).12H~O Casal Brunori, Rome, Italy.
DATA:
REFERENCE:
768
Zeolites
16:323-802,
Pl 21/m 1 (No. 11) unique axis b = 14.300 A a = 9.865 A ck = 90” p = 124.20” X-ray single crystal refinement,
b c = 8.668 A y = 90” R, = 0.057
R. Rinaldi, J. J. Pluth and J. V. Smith, Acta Cryst. B30, 2426--2433 (1974).
1996
Atom
z
Y
2
&so
occ
K Ca Sil Si2 Si3 Si4 All Al2 Al3 Al4 01 02 03 04 05 06 07 08 09 Hz01 Hz02 H&? Hz04 H205
0.8480 0.6080 0.7362 0.4206 0.0604 0.1204 0.7362 0.4206 0.0604 0.1204 0.1335 0.6445 0.6100 0.0254 0.8957 0.3022 0.7872 0.5814 0.0665 0.7551 0.1552 0.3208 0.5085 0.5
0.2500 0.6262 0.0248 0.1409 0.0078 0.1396 0.0248 0.1409 0.0078 0.1396 0.0976 0.5766 0.1130 0.9154 0.0440 0.3738 0.4795 0.7500 0.2500 0.7500 0.7500 0.8525 0.2500 0.5
0.2076 0.4401 0.2805 0.0019 0.2844 0.0421 0.2805 0.0019 0.2844 0.0421 0.2289 0.1878 0.1728 0.1494 0.2713 0.0783 0.4982 0.0616 0.0196 0.4733 0.4382 0.1740 0.4384 0.5
2.4 2.14 1.08 1.06 1.11 1.14 1.08 1.06 1.11 1.14 2.04 1.94 1.89 1.85 2.06 2.32 1.9 1.94 2.12 7.8 7.3 8.8 18.7 16.6
1.0 0.412 0.669 0.669 0.669 0.669 0.331 0.331 0.331 0.331 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
PHI
Harmotome
REFINED
COMPOSITION:
CRYSTAL
DATA:
(Ba#aa,s)(SirzA140a2).12H20 Andreasberg, Hartz, Germany. Pl 21/m 1 (No.
11) unique axis b b = 14.139 A c = 8.693 A a = 90” j3 = 124.81” y = 90” X-ray single crystal refinement, R, = 0.039
a = 9.879 A
REFERENCE:
R. Rinaldi, J. J. Pluth and J. V. Smith, Acta Cryst. B30, 2426-2433 (1974).
Atom
X
Y
z
Ba Ca Sil Si2 Si3 Si4 All Al2 Al3 Al4 01 02 03 04 05 06 07 08 09 H201 Hz02 Hz03 Hz04 Ha05
0.86290
0.25 0.6286 0.0248 0.1410 0.0075 0.1390 0.0248 0.1410 0.0075 0.1390 0.0896 0.5726 0.1186 0.9083 0.0515 0.3709 0.4856 0.75 0.25 0.75 0.75 0.8628 0.75 0.5
0.19441
1.79
0.4799
0.
0.2840 0.0136 0.2898 0.0375 0.2840 0.0136 0.2898 0.0375 0.1958 0.1679 0.1792 0.1711 0.2955 0.1017 0.4976 0.0573 0.0256 0.4889 0.4593 0.1324 0.5134 0.5
0.82 0.77 0.78 0.85 0.82 0.77 0.78 0.85 2.45 1.80 1.58 2.05 1.47 1.84 1.68 1.76 1.99 5.5 4.8 5.8 47. 35.
0.5869 0.7367 0.4214 0.0577 0.1216 0.7367 0.4214 0.0577 0.1216 0.1042 0.6470 0.6163 0.0050 0.9057 0.3137 0.7808 0.5885 0.0661 0.8004 0.1148 0.3027 0.4611 0.5
@so
occ
1.0 0.15 0.75 0.75 0.75 0.75 0.25 0.25 0.25 0.25 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-602,
1996
769
RHO
Hydrated
REFINED
COMPOSITION:
CRYSTAL
(Naz.ssCs Synthetic
DATA:
REFERENCE:
770
Zeolites
16:323-802,
rho
3.12)(Si35.95A112.050gs)~73.27B20 material.
Imsm (No. 229) a = 15.031 A b = 15.031 A et! = 90” p = 90” X-ray Rietveld refinement, R,,
c = 15.031 A y = 90” = 0.18, RF = 0.134
L. B. McCusker and Ch. Baerlocher, In Proc. 6th International Zeolite Conf., Ed by D. H. Olson and A. Bisio, Butterworths: Guildford, Surrey; pp. 812-822
1996
Atom
J:
Na CS Si Al 01 02 Hz01 Hz02 Hz03 H&hi Hz05
0.2768 0.0 0.25 0.25 0.2107 0.1652 0.0749 0.0542 0.0636 0.0 0.0
Y 0.2768 0.0 0.1042 0.1042 0.0 0.1652 0.2096 0.0542 0.1180 0.0 0.0
2
&so
occ
0.2768 0.3554 0.3958 0.3958 0.3834 0.3654 0.2096 0.2756 0.1735 0.4295 0.0
6.3 0.3 3.2 3.2 5.6 5.6 5.5 15.0 15.0 15.0 15.0
0.180 0.260 0.749 0.251 1.0 1.0 0.204 0.504 0.305 0.717 0.70
(1984).
RHO
Pahasapaite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
(Lill.sNq. 192K1,2Ca5,5)(Be2sP24096).38H20 Custer, S. Dakota, U.S.A. 123 (No. 197) a = 13.781 A b = 13.781 A a = 90” p = 90” X-ray single crystal refinement,
c = 13.781 A y = 90” R, = 0.035
R. C. Rouse, D. R. Peacor and S. Merlino, Am. Mineral. 74, 1195-1202 (1989).
Atom
X
Li Li Na K Ca Be P 01 02 03 04 Hz01 Hz02 Hz03 Hz04
0.3615 0.3013 0.3615 0.3615 0.3615 0.4207 0.2771 0.2246 0.3781 0.3791 0.2160 0.3851 0.4768 0.2171 0.2459
Y 0.0357 0.3013 0.0357 0.0357 0.0357 0.1210 0.1240 0.2178 0.1245 0.0329 0.0383 0.3851 0.0 0.1095 0.0765
z
&so
occ
0.0301 0.3013 0.0301 0.0301 0.0301 0.2675 0.4224 0.3914 0.3766 0.2041 0.3889 0.3851 0.0 0.0714 0.0504
3.66 1.89 3.66 3.66 3.66 0.76 0.71 0.95 1.16 1.18 1.16 3.08 1.68 4.0 6.58
0.15 1.0 0.008 0.05 0.229 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.5 0.5 0.5
Zeolites
16:323-802,
1996
771
RHO
Deuterated
REFINED
COMPOSITION: CRYSTAL
berylloarsenate
Rb24(Be24As24096).3.6DzO
DATA:
I23 (No. 197) a = 14.001 A b = 14.001 A c = 14.001 A Q = 90” p = 90” y = 90” Combined X-ray and neutron Rietveld refinement, neutron R,, = 0.041. X-ray R,, = 0.145
REFERENCE:
J. B. Parke, D. R. Corbin, T. E. Gier, R. L. Harlow, R. B. Von Dreele, Zeolites 12, 360-368 (1992). And J. B. Parke, Private Communication (1994).
Atom Rbl Rb2 Rb3 Rb4 Be As 01 02 03 04 DzOl Dp02 &@3
772
Zeolites
16:323-802,
1996
Y
J:
0.5 0.1903 0.3716 0.244 0.2173 0.27446 0.2296 0.3882 0.2852 0.2094 0.244 0.066 0.441
0.0
0.0
0.1903 0.3716 0.0 0.9311 0.12749 0.2349 0.1265 0.1055 0.0467 0.0 0.066 0.441
0.1903 0.3716 0.0 0.3717 0.42737 0.3988 0.3899 0.5429 0.3679 0.0 0.066 0.441
Biso
occ
4.89 7.74 7.74 7.74 4.34 0.79 1.5 0.95 4.42 1.34 4.74 4.74 4.74
1.0 1.0 0.875 0.25 1.0 1.0 1.0 1.0 1.0 1.0 0.10 0.23 0.07
L. Abrams
and
-RON
Roggianite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
Ca~s(Bes(OH)~sSi3~A1~s0~0~).18.72H~0 Pizzo Marcia, Val Vigezzo, Italy. I4/mcm (No. 140) a = 18.33 A b = 18.33 8, Q: = 90” p = 90” X-ray single crystal refinement,
c = 9.16 A y = 90” Robs = 0.034
G. Giuseppetti, F. Mazzi, C. Tadini and E. Galli, Neues Jahrb. Mineral. Monatsh. 7, 307-314 (1991).
Atom
X
Y
z
&so
occ
Ca $1 Si2 Be Al 01 02 03 04 05 06 H Hz01 Hz02 Hz03
0.1769 0.1044 0.1159 0.2619 0.2177 0.1353 0.1641 0.0579 0.0451 0.1725 0.2935 0.324 0.409 0.375 0.445
0.1769 0.2810 0.0408 0.2381 0.0000 0.3647 0.0579 0.2673 0.0936 0.2246 0.2065 0.176 0.091 0.079 0.055
0.25 0.0 0.0 0.0000 0.25 0.0000 0.1457 0.1461 0.0000 0.0 0.1512 0.145 0.154 0.0 0.264
1.34 0.95 0.79 1.42 0.87 1.26 1.26 1.74 1.66 1.18 1.34 2.37 11.05 10.26 17.37
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.49 0.27 0.41
Zeolites
16:323-802,
1996
773
RSN
RUB-17
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
(NalzKq)(Si28Zn8072).20.7HzO Clml
(No. 8) unique axis b, cell choice 1 c = 7.308 A a = 7.238 A b = 40.56 A a = 90” ,i3 = 91.8” y = 90” X-ray Rietveld refinement, Rexp = 0.238, R,, C. RGhrig and H. Gies, Angew. Chem. Int. Ed. Engl.
Atom Nal Na2 Na3 Na4 K Sil Si2 Si3 Si4 Si5 Si6 Si7 Znl Zn2 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 017 018 019 H201 Hz02 Hz03 Hz04 Hz05
774
Zeolites
16:323-602,
1996
X
-0.141 -0.164 -0.002 0.05 0.063 0.317 0.299 0.572 -0.195 0.755 0.038 0.467 0.0 0.7484 0.377 0.317 0.111 0.467 0.365 0.086 0.433 0.7478 -0.002 0.626 -0.203 0.784 0.737 -0.079 0.561 -0.029 0.521 0.247 0.023 -0.1 0.257 0.299 0.21 0.746
Y 0.0 0.0 0.2469 0.1309 0.3865 0.0382 0.0379 0.0671 0.1277 0.1991 0.2185 0.2105 0.0605 0.1832 0.0 0.052 0.0427 0.0603 0.0 0.042 0.0609 0.043 0.1084 0.1058 0.1599 0.1378 0.2124 0.2182 0.2066 0.1919 0.1815 0.2091 0.2549 0.0753 0.2093 0.1398 0.1324 0.0
34, 63-65 (1995).
Biso
0.;24 0.795 0.84 0.574 0.442 0.308 0.72 0.017 -0.024 0.096 0.397 0.388 0.0 0.6786 0.298 0.515 0.224 0.205 0.735 0.773 0.844 0.004 0.01 0.022 0.106 0.762 0.888 0.204 0.192 0.544 0.53 0.346 0.485 0.501 0.898 0.775 0.293 0.487
= 0.164, RI = 0.090
occ
1.97 1.0 1.97 1.0 1.97 1.0 1.97 1.0 1.97 1.0 0.79 1.0 0.79 1.0 0.79 1.0 0.79 1.0 0.79 1.0 0.79 1.0 0.79 1.0 0.79 1.0 0.79 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 1.18 1.0 4.74 1.15 4.74 1.15 4.74 1.15 4.74 1.15 4.74 1.15
RUB-3
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
RTE
SiOa framework
Si2404s Cl 2/m 1 (No. 12) unique axis b, cell choice 1 a = 14.039 A b = 13.602 A c = 7.428 A a! = 90” p = 102.22” y = 90” X-ray Rietveld refinement, Rex,, = 0.152, R,, = 0.139, RF = 0.092 B. Marler, A. Griinewald-Luke Zeolites 15, 388-399 (1995).
Atom Sil Si2 Si3 01 02 03 04 05 06 07 08
X
0.10276 0.23364 0.11292 0.0 0.0994 0.18747 0.12441 0.26563 0.32712 0.15422 0.0
Y 0.11212 0.11175 0.21938 0.1419 0.0 0.12661 0.17997 0.0 0.18095 0.13944 0.23919
and H. Gies,
Z
-0.04452 0.35042 0.58774 0.0 -0.10716 0.13589 -0.20622 0.38796 0.41035 0.46724 0.5
Zeolites
16:323-802,
1996
776
RTH
RUB-13
REFINED
COMPOSITION: CRYSTAL
Si31064
DATA:
REFERENCE:
S. Vortmann, Microporous
Atom Sil Si2 Si3 Si4 01 02 03 04 05 06 07 08 09 010
776
Zeolites
16:323-802,
Cl 2/m 1 (No. 12) unique axis b, cell choice I a = 9.659 A b = 20.461 8, c = 9.831 A a! = 90” /!I = 96.58” y = 90” X-ray single crystal refinement, R = 0.06
1996
2’:
-0.00071 0.40984 0.25048 0.15487 0.0 0.0 0.151 0.16628 0.25098 0.31018 -0.11737 0.42048 -0.03047 0.5
B. Marler, H. Gies and P. Daniels, Materials 4, 111-121 (1995).
:Y 0.32074 0.07574 0.26603 0.15272 0.34053 0.12655 0.29265 0.21447 0.09473 0.32663 0.26658 0.0 0.38601 0.09471
z
&so
occ
0.34243 0.12008 0.21513 0.01508 0.5 0.5 0.3211 0.11538 0.07707 0.12877 0.30066 0.15383 0.25539 0.0
0.96
0.969 0.969 0.969 0.969 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
1.21 1.37 1.69 1.76 1.94 2.07 2.59 2.22 2.43 2.6 2.3 2.53 2.68
RUB-10
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
RUT
SiO, framework
Si36072 Pl 21/a 1 (No. 14) unique axis a = 13.112 A b = 12.903 A p = 113.50° a = 90” DLS refinement. H. Gies and J. Rius, Z. Kristallogr. 210, 475-480
Atom Sil Si2 Si3 Si4 Si5 Si6 Si7 Si8 Si9 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 017 018
b, cell choice 3 c = 12.407 A y = 90”
(1995).
X
Y
z
0.3003 0.2975 0.0627 0.9222 0.0007 0.2992 0.2864 0.0468 0.9254 0.1789 0.3410 0.3869 0.2960 0.1930 0.3934 0.3082 0.0446 0.0011 0.0111 0.9756 0.8142 0.1123 0.9967 0.2787 0.3906 0.1721 0.9673
0.1257 0.1210 0.1268 0.1899 0.2581 0.8890 0.8847 0.8885 0.8006 0.1393 0.0078 0.1999 0.1544 0.1528 0.1688 0.0070 0.0110 0.2062 0.1359 0.2048 0.1180 0.3247 0.1694 0.8539 0.8156 0.8541 0.8607
0.1207 0.3594 0.3183 0.0622 0.4892 0.1088 0.3504 0.3340 0.0773 0.0177 0.1248 0.0963 0.2447 0.3686 0.4555 0.3699 0.3542 0.3720 0.1779 0.9673 0.0063 0.5507 0.5780 0.2222 0.0936 0.3608 0.2007
Zeolites
16:323402,
1996
777
SGT
1-aminoadamantane
REFINED
COMPOSITION: CRYSTAL
(Si64012s).C*s.8*
DATA:
REFERENCE:
14 1/ amd (No. 141) origin at centre (2/m) a = 10.2387 I$ b = 10.2387 k c = 34.3829 A p = 90” y = 9o” a = 90” X-ray Rietveld refinement, R,, = 0.225, RF = 0.100 L. B. McCusker, J. Appl. Cryst.
Atom Sil Si2 Si3 Si4 01 02 03 04 05 06 07 Cl c2 c3 c4 c5 C6
778
Zeolites
16:323-602,
sigma-2
1996
s 0.2843 0.2811 0.1539 0.1510 0.0000 0.2165 0.2297 0.1689 0.0000 0.1913 0.3729 0.124 0.000 0.000 0.000 0.115 0.000
21, 305-310
Y 0.2500 0.0000 0.2500 0.2500 0.2500 0.1201 0.2500 0.2500 0.2500 0.1219 0.1229 -0.126 -0.250 -0.126 -0.003 -0.151 -0.077
(1988).
z 0.1182 0.0000 0.0349 0.1954 0.2072 0.2131 0.0754 0.1493 0.043 0.010 0.125 0.125 0.073 0.099 0.103 0.086 0.145
Biso
0.08 0.16 0.08 0.24 1.03 1.03 0.32 0.55 1.5 0.63 1.66 7.9 7.9 7.9 7.9 7.9 7.9
OCC 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.3 0.3 0.3 0.46 0.53 0.47
Sodalite
REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
SOD
octahydrate
Na6(Si6A16024).8H20 PZ3n (No. 218) a = 8.848 A b = 8.848 A o! = 90” p = 90” X-ray Rietveld refinement, R,,
c = 8.848 A y = 90” = 0.091, RF = 0.047
J. Felsche, S. Luger and Ch. Baerlocher, Zeolites 6, 367-372 (1986).
Atom Na Si Al 0 J320
z 0.1504 0.25 0.25 0.1366 0.3753
Y 0.1504 0.0 0.5 0.4338 0.3753
25 0.1504 0.5 0.0 0.1490 0.3753
Biso
OCC
3.71 0.79 1.18 1.5 3.08
0.75 1.0 1.0 1.0 1.0
Zeolites
16:323-602,
1996
779
SOD
Bicchulite
REFINED
COMPOSITION:
CRYSTAL
Cas(Si4Als024).8HzO Synthetic material.
DATA:
133m (No. 217) a = 8.825 A b = 8.825 ii cl = 90” p = 90” X-ray single crystal refinement,
REFERENCE:
K. Sahl, Z. Kristallogr.
Atom Ca Si Al 0 OH H
780
Zeolites16:323-802.1996
.c 0.1434 0.25 0.25 0.1407 0.3845 0.328
c = 8.825 A y = 90” R, = 0.012
152, 13-21 (1980).
?I 0.1434 0.5 0.5 0.1407 0.3845 0.328
z 0.1434 0.0 0.0 0.4220 0.3845 0.328
&so 0.75 0.49 0.49 0.94 0.93 0.0
OCC
1.0 0.3333 0.6667 1.0 1.0 1.0
SOD
Tugtupite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
(NasClz)(SisAlzBezO24) Ilimaussaq, Narssaq
Kommune,
Ia (No. 82) a = 8.640 A b = 8.640 A cl! = 90” ,I3 = 90” X-ray single crystal refinement, I. Hassan Canadian
Atom Na Cl Si Al Be 01 02 03
South Greenland.
c = 8.873 A y = 90” R, = 0.030
and H. D. Grundy, Mineralogist 29, 385-390
2
0.1563 0.0 0.0127 0.0 0.0 0.1504 0.3472 0.4256
(1991).
Y
z
Biso
OCC
0.1972 0.0 0.2533 0.5 0.5 0.1343 0.0385 0.1486
0.1818 0.0 0.4958 0.75 0.25 0.4417 0.6488 0.1377
1.48 1.85 0.58 0.6 0.77 0.97 0.94 0.95
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-802,
1996
781
STI REFINED
COMPOSITION:
CRYSTAL
(Nal,7sCa4)(Si25,68Al~~,~~O~~).29,4H20 Iceland.
DATA:
Cl 2/m 1 (No.
12) unique axis b, cell choice 1 b = 18.24 A c = 11.27 A ck = 90” p = 128.0” y = 90” X-ray single crystal refinement, R = 0.123
a = 13.64 A
REFERENCE:
782
Zeolites
16:323-802,
1996
E. Galli, Acta Cry&.
Atom
x
Na Ca Sil Si2 Si3 Si4 Si5 All Al2 Al3 Al5 01 02 03 04 05 06 07 08 09 010 Hz01 H202 Hz03 Hz04 Hz05 H2O6
0.5055 0.2805 0.4830 0.2653 0.1892 0.1124 0.0 0.4830 0.2653 0.1892 0.0 0.4645 0.1164 0.0512 0.0638 0.2935 0.3001 0.3406 0.3157 0.1863 0.0 0.1347 0.3306 0.3691 0.5124 0.4028 0.1712
B27, 833-841 (1971).
Y 0.0659 0.0
z 0.0392 0.0949
0.3042 0.2420 0.3097 0.2619 0.0893 0.4846 0.3166 0.5013 0.2610 0.0 0.3042 0.2420 0.3097 0.2619 0.0893 0.4846 0.2610 0.0 0.2911 0.0842 0.3162 0.1189 0.2661 0.3516 0.1199 0.3226 0.2308 0.3453 0.3796 0.3714 0.3162 0.1914 0.1119 0.5024 0.0 0.4876 0.3509 0.5 0.0776 0.1067 0.1258 0.1013 0.3549 0.0 0.0 0.2416 0.5 0.1632 0.1040 0.5
&so 4.28 2.15 0.46 0.33 0.40 0.43 0.42 0.46 0.33 0.40 0.42 1.40 1.38 2.03 1.41 2.01 1.76 1.40 1.78 1.75 1.15 7.45 4.71 3.58 9.98 4.72 10.16
occ 0.22 1.0 0.5 0.73 0.73 1.0 0.5 0.5 0.27 0.27 0.5 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.84 0.91 0.85 1.0 1.0 1.0
STI
Stellerite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
Cilg(Si~6A1~60144).55.52H20 Villanova-Monteleone, Sardinia,
Italy.
Fmmm (No. 69) a. = 13.599 fi b = 18.222 A a = 90” p = 90” X-ray single crystal refinement,
c = 17.863 A y = 9o” R, = 0.082
*E. Galli and A. Alberti, Bull. Sot. Fr. Minkal.
Atom
X
Ca Sil Si3 Si4 Si5 All Al3 Al4 Al5 01 03 04 07 08 09 010 H201 Hz02 Hz03 Hz04 Hz05 Hz06 H&7
0.5 0.3857 0.3013 0.3883 0.25 0.3857 0.3013 0.3883 0.25 0.3175 0.3721 0.3577 0.5 0.3135 0.3100 0.5 0.395 0.5 0.459 0.376 0.459 0.368 0.321
Crystallogr.
98, 11-18 (1975).
Y
z
Biso
occ
0.0 0.3072 0.4112 0.1833 0.25 0.3072 0.4112 0.1833 0.25 0.3046 0.2321 0.3802 0.3141 0.1129 0.5 0.1495 0.098 0.128 0.0 0.0 0.5 0.5 0.056
0.2910 0.3769 0.5 0.5 0.25 0.3769 0.5 0.5 0.25 0.3018 0.4251 0.4239 0.3493 0.5 0.5 0.5 0.313 0.303 0.423 0.390 0.339 0.312 0.288
3.23 0.78 0.85 0.83 1.04 0.78 0.85 0.83 1.04 2.46 3.07 2.87 2.1 2.37 2.44 2.13 4.9 7.8 3.3 13.0 4.5 10.8 9.1
1.0 0.778 0.778 0.778 0.778 0.222 0.222 0.222 0.222 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.2 0.8 0.37 0.45 0.43 0.62 0.2
Zeolites
16:323-802,
1996
783
STI
Barrerite
REFINED
COMPOSITION:
CRYSTAL
(Nag,sl~K1,g1~Mg~.~~~Ca~,~~)(Si~~,~sAl~~,~~O~~~)~58.56H~O Capo Pula, Sardinia, Italy.
DATA:
Amma (No. 63) cab setting a = 13.643 A b = 18.200 A ck = 90” p = 90” X-ray single crystal refinement,
REFERENCE:
E. Galli and A. Alberti, Bull. Sot. Fr. Mirkral.
Atom
x
Nal Nall Na2 Na21 Na3 Kl Kll K2 K21 K3 Mgl Mgll Mg21
0.25 0.25 0.0482 0.0369 0.1611 0.25 0.25 0.0482 0.0369 0.1611 0.25 0.25 0.0369 0.1611 0.25 0.25 0.0482 0.0369 0.1611 0.1356 0.1363 0.0512 0.1386 0.0 0.1356 0.1363 0.0512 0.1386 0.0 0.0699 0.0664 0.1195 0.1247 0.1062
Mg3 Cal Call Ca2 Ca21 Ca3 Sil Si2 Si3 Si4 Si5 All Al2 Al3 Al4 Al5 01 011 03 031 04
?4 0.0 0.0 0.0624 0.0634 0.0 0.0 0.0 0.0624 0.0634 0.0 0.0 0.0 0.0634 0.0 0.0 0.0 0.0624 0.0634 0.0 0.3037 0.3122 0.4110 0.1846 0.2399 0.3037 0.3122 0.4110 0.1846 0.2399 0.2937 0.3136 0.2338 0.2331 0.3806
c = 17.842 ii y = 90” R, = 0.067
Crystallogr.,
z 0.0417 0.4558 0.0446 0.4792 0.2386 0.0417 0.4558 0.0446 0.4792 0.2386 0.0417 0.4558 0.4792 0.2386 0.0417 0.4558 0.0446 0.4792 0.2386 0.1245 0.3724 0.2433 0.2541 0.0 0.1245 0.3724 0.2433 0.2541 0.0 0.0495 0.4475 0.1806 0.3299 0.1677
&so 10.05 3.82 12.98 18.26 15.68 10.05 3.82 12.98 18.26 15.68 10.05 3.82 18.26 15.68 10.05 3.82 12.98 18.26 15.68 1.19 1.21 1.21 1.05 1.40 1.19 1.21 1.21 1.05 1.40 2.86 2.73 2.95 2.32 3.13
continued. 784
Zeolites
16:323-802,
1996
98, 331-340
..
occ 0.521 0.442 0.101 0.181 0.181 0.102 0.086 0.02 0.035 0.035 0.001 0.001 0.001 0.001 0.08 0.068 0.016 0.028 0.028 0.772 0.772 0.772 0.772 0.772 0.228 0.228 0.228 0.228 0.228 1.0 1.0 1.0 1.0 1.0
(1975).
STI
Barrerite . . . continued
from previous Atom
041 07 071 08 09 010 Hz01 H2011 Hz02 H2021 Hz03 &@31 Hz04
Hz041 Hz05 Hz051
Hz06 Hz061 Hz08 Hz081
page 2
Y
z
&so
occ
0.1060 0.25 0.25 0.0656 0.0546 0.25 0.1911 0.0894 0.25 0.25 0.1750 0.2177 0.0915 0.1479 0.2174 0.1966 0.1251 0.0814 0.25 0.25
0.3810 0.3104 0.3219 0.1142 0.5 0.1508 0.1160 0.0824 0.1259 0.1313 0.0 0.0 0.0 0.0 0.5 0.5 0.5 0.5 0.5 0.5
0.3188 0.0971 0.4007 0.2550 0.2435 0.2540 0.0519 0.4356 0.0557 0.4421 0.1764 0.3221 0.1217 0.3869 0.0917 0.4154 0.0607 0.4349 0.1615 0.3615
3.01 2.76 2.21 2.54 2.79 2.13 10.3 8.1 2.3 9.3 7.4 6.0 13.7 14.2 2.9 8.0 8.1 11.4 19.9 1.2
1.0 1.0 1.0 1.0 1.0 1.0 0.49 0.41 0.32 0.91 0.38 0.46 0.50 0.50 0.20 0.42 0.83 0.50 0.50 0.50
Zeolites
16:323-802,
1996
785
THO
Thomsonite
REFINED
(NaJCa 11.2Sro.8)(Si2oA120080).24H20 Death Valley, California, U.S.A.
COMPOSITION:
CRYSTAL
Pncn (No. 52) bca setting a = 13.088 A b = 13.052 A c = 13.229 A cl! = 90” p = 90” y = 90” Neutron single crystal refinement: RF2 = 0.048
DATA:
J. J. Pluth, J. V. Smith and A. Kvick, Zeolites 5, 74-80 (1985).
REFERENCE:
Atom Na Cal Ca2 Sr Sil Si2 Si3 All Al2 Al3 01 02 03 04 05 06 07 08 09 010 020 021 022 023 Hl H2 H3 H4 H5 H6
786
Zeolites
16:323-802,
1996
2
0.0582 0.0582 0.49939 0.49939 0.25 0.11291 0.3082 0.25 0.11939 0.30947 0.16863 0.15818 0.31248 0.31152 0.00216 0.1838 0.19038 0.10438 0.11829 0.35586 0.12597 0.39173 0.0 0.0 0.15914 0.15747 0.37012 0.37158 0.04695 0.05008
?I 0.50360 0.50360 0.47837 0.47837 0.25 0.69558 0.38501 0.75 0.30543 0.62405 0.31051 0.69179 0.33136 0.65725 0.63793 0.6298 0.38476 0.81313 0.18031 0.49928 0.50192 0.49760 0.64972 0.34436 0.43727 0.55922 0.43800 0.55535 0.69037 0.30291
t
I?&
OCC
0.36141 0.36141 0.49952 0.49952 0.6885 0.50065 0.37805 0.69049 0.49655 0.38045 0.61839 0.61444 0.75655 0.76318 0.50143 0.42414 0.41668 0.46106 0.45256 0.38346 0.18859 0.63937 0.75 0.75 0.66171 0.66161 0.67748 0.68126 0.71194 0.71828
1.22 1.22 1.34 1.34 0.51 0.51 0.49 0.48 0.5 0.51 0.97 0.95 0.97 0.98 0.74 1.02 1.0 0.94 1.03 0.72 2.09 2.19 2.37 2.19 2.71 2.95 3.1 3.1 3.65 4.19
0.5 0.5 0.9 0.1 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Diethylamine
REFINED
COMPOSITION: CRYSTAL
theta-l
(Silica
TON
ZSM-22)
(Si2404s).C5.1
DATA:
Cmc21 (No. 36) a = 13.859 A b = 17.420 A a = 90” B = 90” X-ray single crystal refinement,
REFERENCE:
B. Marler, Zeolites 7, 393-397
Atom Sil Si2 Si3 Si4 01 02 03 04 05 06 07 Cl c2
X 0.0000 0.0000
0.2951 0.2055 0.0923 0.0942 0.2712 0.2288 0.2705 0.0 0.0 0.5 0.5
Y 0.2737 0.3768 0.0482 0.2112 0.4268 0.2224 0.3789 0.4800 0.2584 0.3062 0.3450 0.5195 0.5124
c = 5.038 A y = 90”
R, = 0.056
(1987).
z
Biso
occ
0.25 0.7465 0.2265 0.1445 0.6977 0.2068 0.6639 0.0234 0.3535 0.5441 0.0493 0.1363 0.3458
0.67 0.58 0.80 0.58 1.47 1.90 1.88 1.05 1.48 1.60 1.45 22.11 22.11
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.575 0.7
Zeolites
16:323-802,
1996
787
VET
VPI-8 COMPOSITION:
SiiTOsd
CRYSTAL
Pa (No. 81) 4 operators a = 13.045 A b = 13.045 A CP= 90” p = 90” X-ray Rietveld refinement, R,,
DATA:
REFERENCE:
788
Zeolites
16:323-802,
c = 5.034 fr y = 9o” = 0.125, R, = 0.102
C. C. Freyhardt, J. E. Lewis, Jr., M. M. Helmkamp, S. Khodabandeh, M. Yoshikawa, M. A. Camblor, R. F. Lobo, M. Tsapatsis, M. Pan, S. I. Zones and M. E. Davis, Personal Communication (1996).
1996
Atom
n:
Sil Si2 Si3 Si4 Si5 034 032 035 024 055 012 054 045 023
0.0000 0.1991 0.8341 0.6512 0.5182 0.7159 0.8867 0.8253 0.7243 0.5000 0.0746 0.5575 0.5998 0.9048
Y 0.0000 0.0485 0.2830 0.1468 0.12278 0.2492 0.2442 0.4062 0.0464 0.0000 0.0195 0.1441 0.1581 0.2340
z
Biso
OCC
0.5000 0.7568 0.7444 0.7630 0.2656 0.7089 0.0133 0.748 0.7842 0.243 0.7489 0.5614 0.0521 0.5175
1.03 1.03 1.03 1.03 1.03 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
VFI
VPI-5 REFINED
COMPOSITION: CRYSTAL
DATA:
REFERENCE:
(AllRP18072).42H20 P63 (No. 173) a = 18.9752 A b = 18.9752 A c = 8.1044 A a = 90” p = 90” y = 120° X-ray Rietveld refinement, Rexp = 0.108, R,, = 0.141, RF = 0.086 L. B. McCusker, Ch. Baerlocher, E. Jahn and M. Billow, Zeolites 11, 308-313 (1991).
Atom
2
All Al2 Al3 Pl P2 P3 01 02 03 04 05 06 07 08 09 010 011 012 H201 Ha02 l&t03 H204 Hz05 H2O6 Hz07
0.385 0.474 0.654 0.550 0.311 0.507 0.470 0.431 0.322 0.430 0.540 0.619 0.512 0.378 0.474 0.311 0.575 0.739 0.339 0.290 0.314 0.248 0.193 0.319 0.100
Y -0.001 -0.173 0.169 -0.001 -0.185 0.185 0.001 0.009 -0.112 0.111 -0.074 0.072 -0.231 -0.206 -0.175 -0.168 0.195 0.236 0.005 0.002 0.130 0.055 0.045 0.189 0.053
z
Biso
OCC
0.239 0.204 0.198 0.358 0.320 0.309 0.339 0.037 0.223 0.255 0.264 0.278 0.280 0.280 -0.015 0.500 0.198 0.315 0.465 0.160 -0.028 -0.288 -0.566 -0.539 -0.534
0.24 0.24 0.24 0.79 0.79 0.79 1.5 1.5 1.5 1.5 1.5 1.5 1.5 1.5 1.5 1.5 1.5 1.5 2.13 2.13 7.11 10.03 10.03 7.11 10.03
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
Zeolites
16:323-802.
1996
789
VNI
VPI-9 COMPOSITION: CRYSTAL
(Rb44K4)(Si96Zn240254)
DATA:
REFERENCE:
P41212 (No. 92) 8 operators c = 73.6505 A a = 9.8837 A b = 9.8837 a ck = 90” /3 = 90” y = 90” X-ray Rietveld refinement, Rexp = 0.099: R,, = 0.147, RF = 0.069 L. B. McCusker, private communication
Atom Sil Si2 Si3 Si4 Si5 Si6 Zn7 Si8 Si9 Silo Sill Zn12 Si13 Si14 Zn15 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 017 018 019
X
-0.05560 0.12355 0.34788 0.64551 0.70956 0.91831 0.76905 0.85239 0.63992 0.35908 0.13640 0.27595 0.43977 0.21756 -0.00008 0.08204 -0.08423 -0.04109 -0.17747 0.27867 0.02165 0.11120 0.50734 0.65363 0.77309 0.76847 0.59335 0.91157 0.96658 0.64151 0.85799 0.66199 0.73381 0.68028
Y 0.14097 0.36647 0.54161 0.45059 0.22908 0.59382 0.26960 0.37616 0.15641 0.14462 0.35246 0.23519 0.36294 0.29059 0.50334 0.21588 0.17140 -0.01758 0.18145 0.39943 0.47477 0.37695 0.53146 0.37488 0.55290 0.24075 0.11791 0.61905 0.72981 0.34871 0.39098 0.14092 0.27261 0.02001
(1995).
2
Biso
OCC
0.04647 0.03339 0.04577 0.04531 0.01951 0.03688 0.07855 0.11695 0.11374 0.13017 0.13429 0.16979 0.20263 0.22953 0.24691 0.03997 0.06759 0.04349 0.03360 0.04014 0.04195 0.01106 0.04608 0.02615 0.04576 -0.00018 0.01974 0.01426 0.04654 0.06225 0.09506 0.09257 0.12267 0.12391
0.32 0.32 0.32 0.32 0.32 0.32 0.79 0.32 0.32 0.32 0.32 0.79 0.32 0.32 0.79 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97 1.97
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
continued.
790
Zeolites
16:323-802,
1996
VNI
VPI-9 . . . continued
from previous page Atom 020 021 022 023 024 025 026 027 028 029 030 Rbl Rb2 Rb3 03 Rb4 Rb5 Rb6 K6 Rb7 K7 Rb8 08 Rb9 01
X
Y
z
&SO
occ
0.48533 0.19440 0.11787 1.97 1.0 0.23709 0.24422 0.12539 1.97 1.0 0.38915 0.14632 0.15157 1.97 1.0 0.31402 -0.00248 0.12264 1.97 1.0 0.13419 0.33967 0.15616 1.97 1.0 -0.00850 0.32063 0.12528 1.97 1.0 0.36760 0.38136 0.18320 1.97 1.0 0.20338 0.09310 0.18492 1.97 1.0 0.33256 0.36743 0.21848 1.97 1.0 0.18986 0.14876 0.21931 1.97 1.0 0.08186 0.37815 0.23040 1.97 1.0 0.00301 0.00830 0.11980 2.92 0.875 0.16907 0.36207 0.08261 2.92 0.875 0.41652 0.41652 0.00000 2.92 0.75 0.41652 0.41652 0.00000 2.92 0.25 0.07877 0.07877 0.00000 2.92 1.0 0.64934 0.84320 0.03976 2.92 0.875 0.40656 0.13336 0.04950 2.92 0.75 0.32838 0.13511 0.03545 2.92 0.25 0.83939 0.69102 0.08693 2.92 0.75 0.86257 0.61323 0.07771 2.92 0.25 0.62218 0.62218 0.00000 2.92 0.25 0.62218 0.62218 0.00000 2.92 0.75 0.53776 0.56878 0.08892 2.92 0.375 0.56914 0.90441 0.07753 2.92 1.25
Zeolites
16:323-602,
1996
791
VW
VPI-7
REFINED
COMPOSITION: CRYSTAL
Nazs.4s(Si56Zn160144).49.76H20
DATA:
REFERENCE:
Fdd2 (No. 43) a = 39.88 A b = 10.326 ii c = 10.219 A cl! = 90” p = 90” y = 90” X-ray Rietveld refinement, Rexp = 0.248, R,, = 0.162, RI = 0.100 C. Riihrig, H. Gies and B. Marler, Zeolites 14, 498-503 (1994).
Atom Nal Na2 Sil Si2 Si3 Si4 Zn 01 02 03 04 05 06 07 08 09 H201 Hz02 &to3
792
Zeolites
16:323-802,
1996
X
0.1269 0.2549 0.0 0.0718 0.0868 0.0904 0.05488 0.0087 0.0319 0.0850 0.0809 0.0572 0.0610 0.0902 0.1228 0.0836 0.0889 0.25 0.2237
Y 0.201 0.069 0.0 0.4537 0.1622 0.4481 0.1640 0.1255 0.464 0.054 0.3082 0.120 0.3481 0.488 0.142 0.081 0.299 0.75 0.627
z
Biso
OCC
0.059 0.762 0.0 0.565 0.571 0.855 0.856 0.910 0.589 0.955 0.519 0.670 0.887 0.702 0.641 0.435 0.213 0.124 0.436
1.58 1.58 1.86 1.86 1.86 1.86 1.86 0.87 0.87 0.87 0.87 0.87 0.87 0.87 0.87 0.87 5.53 5.53 5.53
0.89 0.89 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.23 1.3 1.23
WEl
Wei nebeneite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
C~Be~2(POe)s(OH)s.l6Hz0 Weinebene Pass, Koralpe,
Austria.
Clcl (No. 9) unique axis b, cell choice 1 a = 11.897 A b = 9.707 A c = 9.633 ii cy = 90” /3 = 95.76” y = 90” X-ray single crystal refinement, Rw = 0.044 F. Walter, Eur. J. Mineral.
Atom Ca Be1 Be2 Be3 Pl P2 01 02 03 04 05 06 07 08 OH9 OH10 Hz01 Hz02 Hz03 Hz041 Hz042
4 1275-1283
(1992).
2
Y
z
Biso
OCC
0.1124 -0.3006 -0.1925 0.0014 0.2785 -0.2780 -0.0939 0.2150 0.2388 0.2431 0.2853 0.2573 0.0943 0.2597 0.0638 -0.0622 -0.5254 0.4918 0.4905 0.2250 0.1950
0.0853 0.8817 0.3821 0.5184 0.0985 0.0992 0.6163 0.7795 0.9725 0.9230 0.7213 0.5836 0.6210 0.4676 0.4212 0.4263 0.6453 0.3807 0.3629 0.7474 0.7323
0.3718 0.1613 0.3460 0.2517 0.1409 0.3606 0.1650 0.6971 0.2213 0.4847 0.3029 0.5177 0.3323 0.2905 0.1442 0.3603 0.1881 0.3780 0.0437 0.0035 0.0061
1.32 0.65 0.78 0.66 0.54 0.71 0.87 0.97 0.71 0.89 1.02 0.91 1.25 0.99 1.08 1.04 1.85 2.20 2.09 2.19 1.74
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.55 0.45
Zeolites
16:323-802,
1996
793
-WEN REFINED
Wen kite
COMPOSITION:
CRYSTAL
(Nae.sKe.sCa5,~Ba3.~)(SiirA1904i).(OH)r4.S3 Candoglia. Italy.
DATA:
P82m (No. 189) n = 13.511 A b = 13.511 A a = 90” p = 90” X-ray single crystal refinement,
REFERENCE:
S. Merlino, Acta Cryst.
Atom
X
Na Kl K2 Ca Bal Ba2 S Sil Si2 Si3 All Al2 A13 01 02 03 04 05 06 07 OH7 OH8 OH9 OH10 OH11
0.4988 0.0 0.3932 0.4988 0.0 0.3932 0.5200 0.2666 0.4380 0.66667 0.2666 0.4380 0.66667 0.296 0.392 0.216 0.170 0.399 0.580 0.66667 0.66667 0.421 0.492 0.599 0.591
B30. 1262-1266
Y 0.2743 0.0 0.0 0.2743 0.0 0.0 0.5200 0.1336 0.3008 0.33333 0.1336 0.3008 0.33333 0.145 0.215 0.0 0.170 0.399 0.378 0.33333 0.33333 0.402 0.606 0.553 0.499
c = 7.462 A y = 120” R = 0.10
(1974).
2 0.0
0.5 0.5 0.0 0.5 0.5 0.0 0.2178 0.5 0.3970 0.2178 0.5 0.3970 0.0 0.317 0.294 0.275 0.5 0.5 0.170 0.170 -0.049 0.074 -0.158 0.154
@so occ 2.42 2.04 1.78 2.42 2.04 1.78 1.3 0.8 0.4 0.4 0.8 0.4 0.4 0.2 1.4 0.8 1.0 2.2 1.3 3.0 3.0 0.9 2.6 1.6 2.9
0.083 0.125 0.125 0.917 0.875 0.875 1.0 0.60 0.56 0.11 0.40 0.44 0.39 1.0 1.0 1.0 1.0 1.0 1.0 0.5 0.5 0.25 0.25 0.25 0.25
Note that S13, AL3, and the attached 07 are disordered with the individual site occupancies being only 0.5.
794
Zeolites
16:323-802,
1996
over two positions,
YUG
Yugawaralite
REFINED
COMPOSITION:
CRYSTAL
Caz( Sir2A14032). (Hi5.s20s,rse) Hvalfjordur, Iceland.
DATA:
REFERENCE:
Plcl (No. 7) unique axis b, cell choice 1 a = 6.700 ii b = 13.972 A c = 10.039 A p = 111.07” Q = 90” y = 90” Neutron single crystal refinement, R, = 0.045; At T = 13K. A. Kvick, G. Artioli and J. V. Smith, Z. Kristallogr. 174, 265-281 (1986).
Atom
2
Ca Sil Si2 Si3 Si4 Si5 Si6 All Al2 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 0100 0101 Hll H12 H13 020 H21 H22 030
0.05134 0.34121 0.71051 0.40911 0.02736 0.36039 0.74211 0.0 0.39614 0.10689 0.85591 0.19153 0.50365 0.43489 0.61915 0.84451 0.33904 0.39913 0.16380 0.83032 0.17154 0.57911 0.36053 0.62998 0.93634 0.98759 0.04165 0.95821 0.03505 0.05913 0.90310 0.87936 0.81676 0.70811
Y 0.21654 0.14798 0.03650 0.12450 0.47598 0.37327 0.49757 0.00710 0.35598 0.1038 0.04834 0.07642 0.10778 0.11736 0.07317 0.06416 0.26252 0.23277 0.42664 0.48293 0.38236 0.41154 0.39320 0.40026 0.47014 0.24929 0.27602 0.19582 0.30007 0.34986 0.23331 0.18305 0.28638 0.29016
2
0.42364 0.98083 0.19124 0.69431 0.43748 0.96046 0.62097 0.0 0.65361 0.94844 0.09817 0.59056 0.13425 0.86004 0.67971 0.35574 -0.00394 0.63939 0.98834 0.49303 0.49904 0.08345 0.80583 0.64000 0.26478 0.17041 0.20621 0.10667 0.12817 0.21315 0.61844 0.67456 0.62799 0.32835 continued.
Biso 0.44 0.25 0.26 0.22 0.22 0.24 0.24 0.21 0.21 0.54 0.58 0.48 0.41 0.65 0.46 0.44 0.64 0.47 0.47 0.49 0.42 0.48 0.54 0.48 0.40 0.97 3.79 3.0 3.55 4.47 0.89 3.25 2.36 0.94
occ 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.774 0.182 0.825 0.883 0.157 1.0 1.0 1.0 0.978
.. Zeolites
16:323-602,
1996
795
YUG
Yugawaralite . . . continued
796
Zeolites
16:323-802,
from previous
page
Atom
x
H31 H32 H33 040 041 H41 H42 H43 H51 H52 050
0.59175 0.65286 0.66062 0.36920 0.33283 0.39007 0.49359 0.45146 0.90889 0.87863 0.81646
1996
Y 0.27280 0.33338 0.32229 0.15938 0.12668 0.14373 0.13517 0.15376 0.20607 0.31721 0.25961
2 0.34773 0.39098 0.23748 0.36919 0.35814 0.28329 0.44553 0.40785 0.91977 0.90312 0.92491
@so 3.00 3.38 2.31 1.23 1.35 2.50 2.88 15.99 1.42 4.90 1.42
occ 0.482 0.417 1.001 0.887 0.128 0.910 0.704 0.314 0.098 0.119 0.119
Tetramethylammonium
REFINED
COMPOSITION: CRYSTAL
ZAPO-Ml
ZolN
(A125Zn7P32012s).(NsC42.656)
Pbca (No. 61)
DATA:
a = 14.226 A b = 15.117 A Q = 90” p = 90” X-ray single crystal refinement, REFERENCE:
c = 17.557 A y = 90”
R, = 0.069
B. Marler, J. Patarin and L. Sierra, Private communication (1995).
Atom All Al2 Al3 Al4 Znl Zn2 Zn3 Zn4 Pl P2 P3 P4 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 N Cl c2 c3 c4
X
Y
z
&so
0.0532 0.5553 0.4234 0.2111 0.0532 0.5553 0.4234 0.2111 0.4499 0.5849 0.5607 0.2147 0.0432 -0.5552 0.0523 -0.0558 -0.0494 0.0279 0.1970 -0.3063 -0.4573 0.0359 0.3383 -0.0722 0.3486 0.2528 0.1399 -0.1496 0.3047 0.2179 0.3954 0.3024 0.3006
0.7242 0.9022 0.6045 0.8403 0.7242 0.9022 0.6045 0.8403 0.4048 0.1002 0.7292 0.6608 0.0001 -0.0084 -0.1605 0.3285 -0.3296 0.1831 0.1063 0.1053 0.1168 0.1174 0.1058 0.2158 0.1715 0.2463 -0.1002 0.1936 0.9264 0.9808 0.9835 0.8446 0.8984
0.3410 0.4377 0.4306 0.5378 0.3410 0.4377 0.4306 0.5378 0.4262 0.4250 0.3412 0.4506 0.3975 0.6006 0.3570 0.3629 0.3703 0.3709 0.4270 0.4351 0.5049 0.5247 0.5102 0.2574 0.3817 0.4864 0.4770 0.3819 0.2574 0.2397 0.2517 0.2023 0.3392
1.56 1.56 1.56 1.56 1.69 1.69 1.69 1.69 2.25 2.25 2.25 2.25 3.46 3.46 3.46 3.46 3.46 3.46 3.46 3.46 3.46 3.46 3.46 3.46 3.46 3.46 3.46 3.46 4.41 12.44 12.44 12.44 12.44
occ 0.639 0.794 0.814 0.877 0.361 0.206 0.186 0.123 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.333 1.333 1.333 1.333
Zeolites
16:323-602,
1996
797
Alpha
REFINED
COMPOSITION:
CRYSTAL
Si408 Ellora,
DATA:
Cristobalite
Hyderahad,
India.
P41212 (No. 92) a = 4.97 X ck = 90”
b = 4.97 H, tl = 90”
X-ray single crystal refinement, REFERENCE:
W. A. Dollase, Z. Kristallogr. 121, 369-377 (1965).
Atom Si 0
798
Zeolites
16:323-802,
c = 6.94 A y = 90” R, = 0.044
1996
z 0.30004 0.23976
Y 0.30004 0.10324
z 0.0000 0.17844
Biso 0.83 1.55
OCC
1.0 1.0
Keatite
REFINED
COMPOSITION:
CRYSTAL
DATA:
REFERENCE:
Sii2024 Synthetic
material.
P4s212 (No. 96) a = 7.46 A b = 7.46 A o! = 90” p = 90” X-ray single crystal refinement, J. Shropshire, Z. Kristallogr.
Atom Sil Si2 01 02 03
2 0.326 0.410 0.445 0.117 0.344
c = 8.61 A y = 90” &kc = 0.129, Rhhl = 0.098
P. P. Keat, P. A. Vaughan, 112, 409-413 (1959).
Y 0.120 0.410 0.132 0.123 0.297
z
Biso
OCC
0.248 0.000 0.400 0.296 0.143
2.34 2.34 2.34 2.34 2.34
1.0 1.0 1.0 1.0 1.0
Biso is the average of Bhks = 1.47 A2 and Bhhl = 3.22 A2.
Zeolites
16:323-802,
1996
799
Moganite
REFINED
COMPOSITION:
CRYSTAL
Si12024 Mogan formation,
DATA:
REFERENCE:
I1 2/u 1 (No. a. = 8.758 A Q = 90”
Zeolites
16:323-802,
1996
x 0.2500 0.0115 0.9686 0.1711 0.8657
Canary
Islands
15) unique axis b, cell choice 3 b = 4.876 A c = 10.715 A p = 90.08” y = 90”
G. Miehe and H. Graetsch, Eur. .J. Mineral. 4, 693-706
Atom Sil Si2 01 02 03
800
Gran Canaria,
Y 0.9908 0.2533 0.0680 0.1770 0.2148
(1992).
z
Biso
OCC
0.0000 0.1678 0.2860 0.1050 0.0739
3.2 0.5 1.9 5.0 0.4
1.0 1.0 1.0 1.0 1.0
Alpha
REFINED
COMPOSITION:
CRYSTAL
DATA:
SisOs Synthetic
Quartz
material.
P3221 (No. 154) dextro-rotatory a = 4.916 A b = 4.916 H, a = 90” p = 90” X-ray single crystal refinement,
setting c = 5.4054 A y = 120” R, = 0.016
L. Levien, C. T. Prewitt and D. J. Weidner, Am. Mineral 65, 920-930 (1980).
REFERENCE:
Atom Si 0
z 0.5303 0.5865
Y 0.0000 0.7331
2
Biso
OCC
0.6667 0.7142
0.62 1.05
1.0 1.0
Zeolites
16:323-802,
1996
801
Tridymite
REFINED
COMPOSITION:
CRYSTAL
Si4sO9s From the Steinbach
DATA:
REFERENCE:
Zeolites
16:323-802,
Harvard
Museum,
Clcl (No. 9) unique axis b, cell choice 1 a = 18.524 A b = 5.0032 A c = 23.810 A Q: = 90” ,iY = 105.82’ y = 90” X-ray single crystal refinement; R, = 0.069 W. A. Dollase, W. H. Baur, Am. Mineral. 61, 971-978 (1976).
Aton Sil Si2 Si3 Si4 Si5 Si6 Si7 Si8 Si9 Silo Sill Si12 01 02 03 04 05 06 07 08 09 010 011 012 013 014 015 016 017 018 019 020 021 022 023 024
802
meteorite,
1996
X
0.5507 0.7036 0.4198 0.5751 0.9247 0.7643 0.8023 0.6453 0.8531 0.9493 0.7244 0.5697 0.5749 0.5707 0.7315 0.7509 0.4155 0.4127 0.8773 0.9160 0.7741 0.7336 0.6195 0.5811 0.4966 0.3533 0.6498 0.6524 0.8636 0.8361 0.5052 0.6369 0.9927 0.5 0.7252 0.7744
:Y 0.541 0.947 0.549 0.043 0.548 0.944 0.449 0.041 0.463 0.966 0.559 0.549 0.351 0.840 0.138 0.644 0.352 0.852 0.164 0.668 0.145 0.643 0.341 0.843 0.511 0.489 0.005 0.996 0.499 0.503 0.993 0.511 0.992 0.468 0.991 0.521
0.5;42 0.7374 0.6225 0.7955 0.6971 0.5386 0.7661 0.6027 0.9016 0.9358 0.9605 0.8702 0.8182 0.8476 0.4851 0.5152 0.6741 0.6434 0.9213 0.9361 0.7538 0.7402 0.5847 0.5661 0.6062 0.5665 0.6711 0.7805 0.7328 0.8333 0.7398 0.9268 0.8868 0.5 0.5898 0.9155
Biso 0.9 1.2 0.7 1.1 0.8 0.9 0.8 0.7 1.0 1.0 0.9 1.1 1.2 1.5 1.8 1.7 2.9 1.9 1.8 2.4 1.8 2.2 1.2 1.9 2.7 1.0 1.8 2.0 1.8 2.6 1.8 2.9 1.4 2.2 2.3 1.5
OCC
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
U.S.A