American Mineralogist Crystal Structure Database

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Bavenite
Download hom/bavenite.pdf
Lussier A J, Hawthorne F C
Mineralogical Magazine 75 (2011) 213-239
Short-range constraints on chemical and structural variations in bavenite
Locality: Londonderry, West Australia
Sample: 13BAV
_database_code_amcsd 0019879
23.2164 5.0023 19.4447 90 90 90 Cmcm
atom      x      y      z    occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3) U(2,3)
Na   .08358 .24639 .15279   .009 .01325  .0148  .0120  .0131 -.00100 -.00046 .00117
Ca   .08358 .24639 .15279 .98825 .01325  .0148  .0120  .0131 -.00100 -.00046 .00117
SiT1      0  .7774    .25         .0093  .0092  .0080  .0109       0       0      0
BeT2 .12475  .8158    .25         .0097  .0111  .0083  .0100  -.0002       0      0
SiT3      0 .72300 .10435   .755  .0098  .0111  .0079  .0099       0       0 -.0002
BeT3      0 .72300 .10435   .245  .0098  .0111  .0079  .0099       0       0 -.0002
SiT4 .09492     .5      0  .2505  .0087  .0101  .0066  .0083       0       0  .0001
AlT4 .09492     .5      0  .7495  .0087  .0101  .0066  .0083       0       0  .0001
SiT5 .17026      0      0        .01000  .0111  .0088  .0104       0       0 -.0006
SiT6 .21409 .85757 .14342        .00931  .0101  .0079  .0101  .00015  .00063 .00061
O1        0  .5754 .18265         .0105  .0152  .0072  .0096       0       0 -.0010
O2        0  .0363 .11202         .0137  .0125  .0091  .0194       0       0  .0004
O3   .05767  .5980 .07061         .0151  .0162  .0150  .0150   .0036   .0044  .0010
O4   .13135  .2328 .03539         .0144  .0165  .0121  .0147   .0032   .0013 -.0020
O5   .20829  .8669 .06028         .0141  .0156  .0155  .0114   .0026  -.0010  .0004
O6   .23342  .5575 .16511         .0130  .0146  .0080  .0163   .0029   .0027  .0016
O7   .15456  .9317 .18005         .0133  .0136  .0117  .0147   .0021   .0037  .0029
O8   .12100  .4903    .25         .0127  .0116  .0095   .017   .0001       0      0
O9   .05849  .9537    .25         .0106  .0097  .0090  .0134  -.0008       0      0
H8    .1620   .442    .25          .015
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