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Chabazite-Na |
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Mazzi F, Galli E |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1983 (1983) 461-480 |
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The tetrahedral framework of chabazite |
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Locality: Richmond, Melbourne, Victoria, Australia |
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Note: Occupancies invented to match formula and refinement |
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Sample: C 4a, trigonal refinement |
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_database_code_amcsd 0014781 |
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9.4376 9.4376 9.4376 94.137 94.137 94.137 R-3m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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NaX1 .2089 .2089 .2089 .15 3.9 .0128 .0128 .0128 .0122 .0122 .0122 |
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CaX1 .2089 .2089 .2089 .11 3.9 .0128 .0128 .0128 .0122 .0122 .0122 |
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KX1 .2089 .2089 .2089 .04 3.9 .0128 .0128 .0128 .0122 .0122 .0122 |
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NaX2 .5767 .5767 .2132 .015 4.1 |
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CaX2 .5767 .5767 .2132 .011 4.1 |
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KX2 .5767 .5767 .2132 .014 4.1 |
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NaX3 .4030 .4030 .4030 .12 7.9 |
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CaX3 .4030 .4030 .4030 .08 7.9 |
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KX3 .4030 .4030 .4030 .03 7.9 |
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NaX4 .5 .5 0 .07 10.1 |
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CaX4 .5 .5 0 .045 10.1 |
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KX4 .5 .5 0 .015 10.1 |
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Si .10338 .33257 -.12461 .662 .95 .0026 .0019 .0035 .0005 .0002 -.0004 |
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Al .10338 .33257 -.12461 .338 .95 .0026 .0019 .0035 .0005 .0002 -.0004 |
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O1 .2650 -.2650 0 2.7 .0070 .0070 .0079 -.0001 -.0019 -.0019 |
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O2 .1504 -.1504 .5 2.3 .0080 .0080 .0032 -.0003 .0008 .0008 |
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O3 .2522 .2522 -.1082 2.5 .0045 .0045 .0124 .0016 .0001 .0001 |
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O4 .0232 .0232 .3172 2.5 .0069 .0069 .0080 .0023 .0019 .0019 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Chabazite-Na |
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Mazzi F, Galli E |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1983 (1983) 461-480 |
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The tetrahedral framework of chabazite |
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Locality: Richmond, Melbourne, Victoria, Australia |
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Note: Occupancies invented to match formula and refinement |
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Note: This structure matches the reported bond lengths for C 4b, not C 4a |
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Sample: C 4a, triclinic refinement |
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_database_code_amcsd 0014782 |
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9.4410 9.4344 9.4375 94.214 94.080 94.104 P-1 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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NaX1 .2090 .2085 .2081 .15 4.7 .0152 .0157 .0149 .0138 .0136 .0139 |
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CaX1 .2090 .2085 .2081 .11 4.7 .0152 .0157 .0149 .0138 .0136 .0139 |
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KX1 .2090 .2085 .2081 .04 4.7 .0152 .0157 .0149 .0138 .0136 .0139 |
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NaX2A .5765 .2152 .5783 .015 4.9 |
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CaX2A .5765 .2152 .5783 .011 4.9 |
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KX2A .5765 .2152 .5783 .014 4.9 |
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NaX2B .5747 .5808 .2148 .015 4.8 |
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CaX2B .5747 .5808 .2148 .011 4.8 |
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KX2B .5747 .5808 .2148 .014 4.8 |
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NaX2C .2092 .5686 .5758 .015 4.2 |
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CaX2C .2092 .5686 .5758 .011 4.2 |
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KX2C .2092 .5686 .5758 .014 4.2 |
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NaX3 .4038 .4018 .4033 .12 8.3 |
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CaX3 .4038 .4018 .4033 .08 8.3 |
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KX3 .4038 .4018 .4033 .03 8.3 |
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NaX4A .5 0 .5 .07 11.6 |
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CaX4A .5 0 .5 .045 11.6 |
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KX4A .5 0 .5 .015 11.6 |
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NaX4B .5 .5 0 .07 11.7 |
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CaX4B .5 .5 0 .045 11.7 |
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KX4B .5 .5 0 .015 11.7 |
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NaX4C 0 .5 .5 .07 12.2 |
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CaX4C 0 .5 .5 .045 12.2 |
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KX4C 0 .5 .5 .015 12.2 |
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Si1 .3330 .1032 -.1251 .659 .94 .0018 .0027 .0034 .0003 -.0001 .0002 |
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Al1 .3330 .1032 -.1251 .341 .94 .0018 .0027 .0034 .0003 -.0001 .0002 |
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Si2 .3322 -.1249 .1035 .621 .95 .0021 .0037 .0023 -.0004 .0004 .0001 |
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Al2 .3322 -.1249 .1035 .379 .95 .0021 .0037 .0023 -.0004 .0004 .0001 |
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Si3 .1031 -.1246 .3321 .702 .92 .0027 .0031 .0020 .0003 .0005 -.0001 |
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Al3 .1031 -.1246 .3321 .298 .92 .0027 .0031 .0020 .0003 .0005 -.0001 |
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Si4 .1027 .3321 -.1246 .684 .93 .0023 .0020 .0037 .0006 .0004 -.0005 |
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Al4 .1027 .3321 -.1246 .316 .93 .0023 .0020 .0037 .0006 .0004 -.0005 |
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Si5 -.1245 .3329 .1036 .635 .99 .0036 .0021 .0028 -.0003 .0003 .0005 |
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Al5 -.1245 .3329 .1036 .365 .99 .0036 .0021 .0028 -.0003 .0003 .0005 |
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Si6 -.1239 .1038 .3334 .691 .94 .0035 .0026 .0019 .0002 -.0008 .0003 |
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Al6 -.1239 .1038 .3334 .309 .94 .0035 .0026 .0019 .0002 -.0008 .0003 |
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O1A -.2650 .0013 .2658 2.8 .0072 .0086 .0068 -.0030 .0001 -.0017 |
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O1B .2654 -.2656 -.0012 2.8 .0078 .0080 .0071 .0002 -.0017 -.0014 |
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O1C .0004 .2637 -.2642 2.5 .0080 .0063 .0061 -.0020 -.0018 -.0005 |
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O2A -.1494 .5004 .1505 2.4 .0084 .0032 .0084 .0008 -.0010 .0005 |
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O2B .1493 -.1507 .4990 2.1 .0088 .0065 .0028 -.0003 .0014 -.0001 |
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O2C .5000 .1509 -.1510 2.3 .0040 .0089 .0069 .0008 .0010 .0005 |
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O3A .2513 -.1084 .2519 2.5 .0053 .0123 .0041 -.0006 .0024 .0001 |
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O3B .2525 .2517 -.1096 2.4 .0030 .0045 .0130 .0009 -.0001 .0003 |
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O3C -.1072 .2526 .2534 2.6 .0122 .0050 .0051 .0003 .0002 .0015 |
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O4A .0241 .3184 .0232 2.7 .0073 .0084 .0077 .0015 .0024 .0022 |
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O4B .0224 .0230 .3168 2.4 .0061 .0077 .0078 .0028 .0022 .0029 |
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O4C .3170 .0236 .0227 2.5 .0078 .0067 .0073 .0014 .0017 .0024 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Chabazite-Na |
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Alberti A, Galli E, Vezzalini G, Passaglia E, Zanazzi P F |
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Zeolites 2 (1982) 303-309 |
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Position of cations and water molecules in hydrated chabazite. |
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Natural and Na-, Ca-, Sr- and K-exchanged chabazites |
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Locality: Keller, Nidda, Germany |
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Note: Na-exchanged |
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_database_code_amcsd 0017687 |
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9.425 9.425 9.425 94.06 94.06 94.06 R-3m |
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atom x y z occ Biso |
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Na1 .2013 .2013 .2013 .62 3.7 |
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Na2 .431 .431 .431 .21 3.2 |
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Na3 .572 .572 .223 .17 6.5 |
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Na4 .602 .504 .185 .04 3.1 |
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Al1 .1032 .3311 .8763 .31 1.01 |
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Si1 .1032 .3311 .8763 .69 1.01 |
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O1 .2640 -.2640 0 2.45 |
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O2 .1443 -.1443 .5 2.29 |
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O3 .2546 .2546 .8873 2.5 |
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O4 .0250 .0250 .3078 2.41 |
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Wat1 .5 .5 0 .90 9.8 |
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Wat2 .277 .277 .539 .17 6.6 |
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Wat3 .197 .305 .469 .22 5.8 |
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Wat4 .354 -.354 .5 .23 13.2 |
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Wat5 .621 .621 .386 .15 4.5 |
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Wat6 .253 .253 .253 .25 4.0 |
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Wat7 .368 .368 .193 .09 6.60 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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