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: Mont Saint-Hilaire, Quebec, Canada
Sample: 35BAV
_database_code_amcsd 0019892
23.251 4.9734 19.4678 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   .08173 .2584 .15440 .03625 .0127  .0139  .0167  .0075 -.0005 -.0006  .0023
Ca   .08173 .2584 .15440 .95075 .0127  .0139  .0167  .0075 -.0005 -.0006  .0023
SiT1      0 .7744    .25        .0065  .0054  .0088  .0053      0      0      0
BeT2  .1242  .828    .25         .010   .009   .015   .005  -.000      0      0
SiT3      0 .7204  .1030   .321 .0105   .012   .015  .0046      0      0 -.0022
BeT3      0 .7204  .1030   .679 .0105   .012   .015  .0046      0      0 -.0022
SiT4 .09319    .5      0   .705 .0070  .0106  .0104  .0001      0      0 -.0004
AlT4 .09319    .5      0   .295 .0070  .0106  .0104  .0001      0      0 -.0004
SiT5 .16995     0      0        .0081  .0084  .0117  .0043      0      0 -.0022
SiT6 .21375 .8671 .14453        .0067  .0086  .0094  .0021  .0001 -.0003 -.0004
O1        0 .5745  .1818        .0101   .012   .013   .006      0      0  -.002
O2        0 .0359  .1083        .0121   .014   .008   .014      0      0   .006
O3   .05761 .5933 .06826        .0127   .014   .017  .0070  .0050  .0046 -.0019
O4   .13070 .2415  .0323        .0131   .017   .015  .0081  .0024 -.0012 -.0058
O5   .20778 .8789 .06122        .0121   .015   .018  .0028  .0013  .0025  .0042
O6   .23297 .5654 .16575        .0092  .0106   .008  .0087  .0023  .0012  .0049
O7   .15418 .9434  .1802        .0101   .012   .013  .0056 -.0007  .0006  .0028
O8    .1211 .4980    .25        .0096   .007   .008   .015   .002      0      0
O9    .0578 .9574    .25        .0079  .0043   .015   .005   .000      0      0
H8    .1602  .425    .25         .015
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