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: Kalisay, Kyrgizstan
Sample: 11BAV
_database_code_amcsd 0019877
23.2110 4.9721 19.4189 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   .08246 .25168 .15327 .0015 .01355  .0136  .0167  .0103 -.00215 -.00052 .00150
Ca   .08246 .25168 .15327       .01355  .0136  .0167  .0103 -.00215 -.00052 .00150
SiT1      0   .772    .25        .0095  .0077  .0107  .0102       0       0      0
BeT2 .12424  .8211    .25        .0118  .0123   .014  .0091   .0000       0      0
SiT3      0  .7203 .10458 .5025  .0094  .0096  .0115  .0070       0       0  .0012
BeT3      0  .7203 .10458 .4975  .0094  .0096  .0115  .0070       0       0  .0012
SiT4 .09372     .5      0 .4735  .0081  .0103  .0087  .0051       0       0  .0003
AlT4 .09372     .5      0 .5265  .0081  .0103  .0087  .0051       0       0  .0003
SiT5 .17005      0      0       .01049  .0101  .0127  .0087       0       0 -.0021
SiT6 .21387 .86129 .14392       .00951  .0094  .0110  .0081   .0005   .0009  .0006
O1        0  .5717 .18225        .0107   .014  .0100  .0081       0       0 -.0001
O2        0  .0337 .11071        .0114  .0108  .0087   .015       0       0  .0000
O3   .05783  .5961 .06979        .0151  .0148  .0174  .0130   .0034   .0042  .0003
O4   .13110  .2367 .03410        .0157  .0149  .0187  .0134   .0048  -.0000 -.0037
O5   .20806  .8723 .06065        .0145  .0152  .0196  .0089   .0019  -.0006  .0005
O6   .23296  .5585 .16527        .0125  .0135  .0100  .0139   .0020   .0020  .0018
O7   .15439  .9376 .17999        .0128  .0116  .0139  .0128   .0024   .0041  .0025
O8   .12121  .4917    .25        .0127   .012  .0092  .0172   .0004       0      0
O9   .05795  .9553    .25        .0105   .009  .0106  .0120  -.0005       0      0
H8    .1626   .452    .25         .015
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