Pentahydroborite
Kazanskaya E V, Chemodina T N, Egorov-Tismenko Y K, Simonov M A, Belov N V
Soviet Physics Crystallography 22 (1977) 35-36
Refined crystal structure of pentahydroborite Ca(B2O(OH)6)*(H2O)2
_database_code_amcsd 0015573
7.845 6.525 8.124 111.62 111.19 73.44 P-1
atom     x     y     z Biso  B(1,1)  B(2,2)  B(3,3)   B(1,2)  B(1,3)  B(2,3)
Ca   .0003 .4034 .2346      .005351 .004276 .003919 -.000988 .001536 .001331
B1    .681  .377  .847      .004339 .006308 .004301 -.001163 .000480 .000000
B2    .003  .153  .798      .004821 .006308 .002867 -.001163 .000480 .000000
O4   .8543 .3502 .8084      .004821 .005607 .008602  .000581 .002400 .002894
O1   .0589 .0655 .3095      .006749 .005607 .006690  .000116 .000480 .002894
O2   .1155 .1430 .9854      .006267 .009813 .004779 -.001744 .000480 .002894
O3   .1143 .2010 .7037      .005785 .009112 .006690 -.002325 .002400 .002315
O5   .7180 .2989 .0088      .005785 .009112 .003823  .001744 .000480 .003473
O6   .5378 .2593 .6873      .004339 .010514 .005257 -.001163 .000000 .001158
O7   .4050 .3798 .1164      .003856 .007009 .008602  .001163 .001920 .002315
O8   .7925 .4912 .4449      .004339 .011916 .005734 -.001163 .000000 .002894
O9   .5900 .1399 .3530      .011087 .013318 .010035  .001163 .003840 .004630
H1    .089  .078  .436    8
H2    .166  .022  .989   12
H3    .764  .904  .282   17
H4    .614  .274  .053    8
H5    .756  .355  .421    9
H6    .700  .603  .400    9
H7    .311  .324  .053    5
H8    .470  .873  .301    8
H9    .567  .186  .477    5
H10   .530  .239  .277    4