American Mineralogist Crystal Structure Database

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Mordenite
Download hom/mordenite.pdf
Simoncic P, Armbruster T
American Mineralogist 89 (2004) 421-431
Peculiarity and defect structure of the natural and synthetic zeolite mordenite:
A single-crystal X-ray study
Sample: synthetic
_database_code_amcsd 0003444
18.131 20.507 7.5221 90 90 90 Cmc2_1
atom               x       y       z  occ  Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1(8MRc)      .0118  -.5073   .5104 .290   2.3
Na2(12MRc)         0    .008   -.229  .09   3.3
Na3(12MRc)         0    .201    .774  .26  9.87
Na4a(12MRc)        0    .072    .495  .21  9.87
Na4b(12MRc)        0    .080    .019  .23  9.87
SiT1          .30243  .07270  .04241 .847 1.106  .0187  .0126  .0107  .0017  .0017  .0013
AlT1          .30243  .07270  .04241 .121 1.106  .0187  .0126  .0107  .0017  .0017  .0013
SiT1'        -.30243 -.07270 -.04241 .847 1.106  .0187  .0126  .0107  .0017  .0017  .0013
AlT1'        -.30243 -.07270 -.04241 .121 1.106  .0187  .0126  .0107  .0017  .0017  .0013
SiT2          .30335  .30941  .04531 .847 1.158  .0174  .0149  .0117  .0033  .0007 -.0011
AlT2          .30335  .30941  .04531 .121 1.158  .0174  .0149  .0117  .0033  .0007 -.0011
SiT2'        -.30335 -.30941 -.04531 .847 1.158  .0174  .0149  .0117  .0033  .0007 -.0011
AlT2'        -.30335 -.30941 -.04531 .121 1.158  .0174  .0149  .0117  .0033  .0007 -.0011
SiT3          .08689  .38261     .25 .847  .955  .0108  .0132  .0123 -.0016      0      0
AlT3          .08689  .38261     .25 .121  .955  .0108  .0132  .0123 -.0016      0      0
SiT4          .08638  .22709     .25 .847  .990  .0102  .0130  .0145  .0012      0      0
AlT4          .08638  .22709     .25 .121  .990  .0102  .0130  .0145  .0012      0      0
SiT1B         .30243  .07270 -.04241 .028  2.37
AlT1B         .30243  .07270 -.04241 .004  2.37
SiT1B'       -.30243 -.07270  .04241 .028  2.37
AlT1B'       -.30243 -.07270  .04241 .004  2.37
SiT2B        -.30335 -.30941  .04531 .028  2.37
AlT2B        -.30335 -.30941  .04531 .004  2.37
SiT2B'        .30335  .30941 -.04531 .028  2.37
AlT2B'        .30335  .30941 -.04531 .004  2.37
SiT3B         .08689  .38261     3/4 .028  2.37
AlT3B         .08689  .38261     3/4 .004  2.37
SiT4B         .08638  .22709     3/4 .028  2.37
AlT4B         .08638  .22709     3/4 .004  2.37
O1            .12280  .41515   .4284 .968  2.82  .0305  .0523  .0242 -.0086 -.0094 -.0072
O1'          -.12280 -.41515  -.4284 .968  2.82  .0305  .0523  .0242 -.0086 -.0094 -.0072
O2            .12248  .19422   .4266 .968  2.54  .0282  .0432  .0252 -.0023 -.0093  .0087
O2'          -.12248 -.19422  -.4266 .968  2.54  .0282  .0432  .0252 -.0023 -.0093  .0087
O3           -.23715 -.12207  -.9887 .968  3.44  .0502  .0332  .0472  .0229 -.0072  .0063
O3'           .23715  .12207   .9887 .968  3.44  .0502  .0332  .0472  .0229 -.0072  .0063
O4             .0983  .30462    .248 .968  3.29   .035  .0146   .076  .0030   .021   .017
O5             .1700   .1937     3/4 .968  3.17   .044   .061  .0150   .019  -.016  -.017
O6             .1750   .4205     3/4 .968  2.46   .040   .041  .0118 -.0071   .000   .000
O7             .2708       0       0 .968  2.39  .0333  .0193  .0382      0      0 -.0061
O8a            .2401   .2602    .532  .25  1.66
O8b           -.2401  -.2602   -.532  .25  1.66
O8c            .2446   .2521    .480  .25  1.66
O8d           -.2446  -.2521   -.480  .25  1.66
O9                 0   .4034     .25 .968  2.24  .0149   .033   .038      0      0   .019
O10                0   .2069     .25 .968  2.24  .0127   .031   .042      0      0   .000
O1B           .12280  .41515  -.4284 .032  2.37
O1B'         -.12280 -.41515   .4284 .032  2.37
O2B           .12248  .19422  -.4266 .032  2.37
O2B'         -.12248 -.19422   .4266 .032  2.37
O3B          -.23715 -.12207   .9887 .032  2.37
O3B'          .23715  .12207  -.9887 .032  2.37
O4B            .0983  .30462   -.248 .032  2.37
O5B            .1700   .1937     .25 .032  2.37
O6B            .1750   .4205     .25 .032  2.37
O7B            .2708       0     1/2 .032  2.37
O9B                0   .4034     3/4 .032  2.37
O10B               0   .2069     3/4 .032  2.37
Wat1(8MRb)         0   .4344    .754        6.2   .062   .097   .078      0      0  -.042
Wat2(12MRc)     .128  -.0151    .222  .31  7.90
Wat3(12MRc)      1/2    .332    .269  .40  7.90
Wat4(12MRc)     .111   -.019    .018  .22  7.90
Wat5(12MRc)     .103   -.040    .354  .27  7.90
Wat6(8MRb)       1/2    .223    .302  .32  7.90
Wat7(12MRc)      1/2    .383    .379  .22  7.90
Wat8(8MRb)      .455    .190    .195  .24  7.90
Wat9(12MRc)      1/2    .321    .128  .20  7.90
Wat10(12MRc)     1/2    .447   -.205  .18  7.90
Wat11(12MRc)     1/2    .388    .017  .46  7.90
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