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: 29BAV
_database_code_amcsd 0019888
23.2066 4.9960 19.4373 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 .24703 .15280 .00225 .01269 .01307 .01318 .01181 -.00095 -.00062 .00119
Ca   .08358 .24703 .15280  .9915 .01269 .01307 .01318 .01181 -.00095 -.00062 .00119
SiT1      0 .77710    .25        .00829  .0070  .0085  .0094       0       0      0
BeT2 .12482  .8159    .25         .0093  .0098  .0086  .0096   .0005       0      0
SiT3      0 .72305 .10413    .56  .0088  .0090  .0085  .0089       0       0 -.0004
BeT3      0 .72305 .10413    .44  .0088  .0090  .0085  .0089       0       0 -.0004
SiT4 .09471     .5      0  .4525  .0075  .0087  .0073  .0066       0       0  .0003
AlT4 .09471     .5      0  .5475  .0075  .0087  .0073  .0066       0       0  .0003
SiT5 .17021      0      0        .00968  .0099  .0102  .0090       0       0 -.0009
SiT6 .21409 .85745 .14361        .00865  .0085  .0087  .0088  .00052  .00065 .00051
O1        0  .5750 .18243         .0103  .0121  .0094  .0093       0       0 -.0013
O2        0  .0355 .11164         .0126  .0115  .0093  .0172       0       0  .0009
O3   .05747  .5982 .07027         .0148  .0152  .0150  .0143   .0036   .0046  .0006
O4   .13104  .2348 .03515         .0140  .0145  .0140  .0136   .0030   .0007 -.0019
O5   .20829  .8673 .06048         .0138  .0151  .0169  .0093   .0019  -.0011  .0009
O6   .23337  .5573 .16539         .0119  .0117  .0096  .0148   .0020   .0022  .0012
O7   .15439  .9324 .18002         .0123  .0111  .0124  .0133   .0028   .0042  .0028
O8   .12114  .4897    .25         .0119  .0093  .0100  .0165  -.0006       0      0
O9   .05842  .9540    .25         .0097  .0075  .0102  .0116  -.0009       0      0
H8    .1625 .44942    .25          .015
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