American Mineralogist Crystal Structure Database

3 matching records for this search.

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