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: Lily Pad Lake, Fort Hope, Ontario, Canada
Sample: 27BAV
_database_code_amcsd 0019886
23.2090 5.0129 19.4494 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   .08411 .24308 .15241   .003 .01111 .01139 .01155 .01038 .00002 -.00013 .00117
Ca   .08411 .24308 .15241 .97975 .01111 .01139 .01155 .01038 .00002 -.00013 .00117
SiT1      0 .77933    .25        .00781  .0070  .0086  .0079      0       0      0
BeT2 .12519  .8137    .25         .0096  .0091  .0085  .0112  .0005       0      0
SiT3      0 .72297 .10453   .935  .0078  .0081  .0078  .0074      0       0 -.0005
BeT3      0 .72297 .10453   .065  .0078  .0081  .0078  .0074      0       0 -.0005
SiT4 .09553     .5      0  .0995  .0077  .0085  .0079  .0068      0       0   .003
AlT4 .09553     .5      0  .9005  .0077  .0085  .0079  .0068      0       0   .003
SiT5 .17034      0      0        .00878  .0093  .0092  .0078      0       0 -.0002
SiT6 .21415 .85448 .14301        .00838  .0082  .0086  .0083 .00014  .00042 .00066
O1        0  .5751 .18274         .0099  .0125  .0092  .0079      0       0 -.0003
O2        0  .0354 .11354         .0119  .0119  .0084  .0155      0       0  .0004
O3   .05761  .5998 .07149         .0137  .0141  .0142  .0128  .0037   .0044  .0003
O4   .13148  .2302 .03639         .0123  .0147  .0116  .0105  .0033   .0016  .0001
O5   .20829  .8640 .05992         .0127  .0139  .0157  .0084  .0034  -.0010  .0005
O6   .23361  .5549 .16479         .0116  .0124  .0090  .0135  .0020   .0010  .0021
O7   .15464  .9288 .18000         .0119  .0111  .0118  .0128  .0026   .0033  .0022
O8   .12104  .4877    .25         .0118  .0116  .0087  .0150  .0004       0      0
O9   .05876  .9523    .25         .0095  .0080  .0102  .0101 -.0005       0      0
H8    .1626   .453    .25          .015
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