Bavenite
Lussier A J, Hawthorne F C
Mineralogical Magazine 75 (2011) 213-239
Short-range constraints on chemical and structural variations in bavenite
Locality: Ekaterinburg (near), Ural, Russia
Sample: 41BAV
_database_code_amcsd 0019897
23.1961 4.9937 19.4296 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   .08367 .2462 .15286 .00375 .0108  .0117  .0127  .0081 -.0005 -.0005   .0017
Ca   .08367 .2462 .15286 .99725 .0108  .0117  .0127  .0081 -.0005 -.0005   .0017
SiT1      0 .7773    .25        .0071  .0061  .0067  .0086      0      0       0
BeT2  .1250 .8151    .25        .0061   .007   .006   .005   .004      0       0
SiT3      0 .7211 .10440  .7485 .0066  .0060  .0061  .0080      0      0   .0003
BeT3      0 .7211 .10440  .2515 .0066  .0060  .0061  .0080      0      0   .0003
SiT4 .09468    .5      0    .25 .0066  .0096  .0102   .008      0      0   .0001
AlT4 .09468    .5      0    .75 .0066  .0096  .0102   .008      0      0   .0001
SiT5 .17044     0      0        .0079  .0084  .0082  .0072      0      0  -.0007
SiT6 .21420 .8562 .14357        .0069  .0062  .0082  .0064 -.0007  .0002   .0003
O1        0 .5750  .1824         .010   .012   .011   .008      0      0 -.00004
O2        0 .0356  .1120        .0117   .013   .008   .015      0      0   .0025
O3   .05735 .5982 .07057        .0136  .0153  .0139  .0119  .0055  .0056   .0004
O4   .13109 .2339 .03546        .0124  .0142  .0117  .0115  .0037  .0018  -.0028
O5   .20812 .8654 .06044        .0114  .0111  .0171  .0062  .0040 -.0008   .0002
O6   .23336 .5558 .16547        .0099  .0107  .0088  .0104  .0016  .0008   .0011
O7   .15447 .9310 .18009        .0100  .0083  .0098  .0120  .0021  .0046   .0033
O8    .1209 .4898    .25        .0101   .006   .011   .014   .002      0       0
O9    .0587 .9525    .25        .0072   .004   .010   .008  .0007      0       0
H8    .1603  .420    .25         .015