Hexahydroborite
Simonov M A, Yamnova N A, Kazanskaya E V, Egorov-Tismenko Y K, Belov N V
Doklady Akademii Nauk SSSR 228 (1976) 1337-1340
Crystal structure of Ca(B(OH)4)2(H2O)2
Note: Data is transformed from 1st setting to 2nd setting
_database_code_amcsd 0012453
8.006 6.649 8.012 90 104.21 90 P2/a
atom     x      y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca     .75 -.0314     0  .86 .00327 .00486 .00431      0  .0011      0
B    .9313 -.7292 .8188  .97 .00352 .00458 .00468  .0007 -.0002  .0001
O1   .8698 -.5229 .7785 1.45 .00618 .00514 .00775  .0000  .0015  .0002
O2   .9665 -.7774 .0076 1.24 .00610 .00689 .00418 -.0017  .0009  .0000
O3   .0982 -.7510 .7756 1.23 .00365 .00808 .00596 -.0013  .0008  .0013
O4   .8073 -.8829 .7344 1.25 .00506 .00650 .00530 -.0022  .0000 -.0010
O5   .9564 -.2111 .5788 1.88 .00809 .01283 .00613  .0005  .0013  .0012
H1    .293  -.149  .339  8.3
H2    .420  -.767  .344  5.4
H3    .011  -.678  .081  6.2
H4    .068  -.674  .379  8.3
H5    .103  -.886  .381  8.2
H6    .235  -.510  .216  4.4