Brushite
Schofield P F, Knight K S, van der Houwen J A M, Valsami-Jones E
Physics and Chemistry of Minerals 31 (2004) 606-624
The role of hydrogen bonding in the thermal expansion and dehydration
of brushite, di-calcium phosphate dihydrate
Sample: T = 375 K
_database_code_amcsd 0008901
5.8145 15.2086 6.2580 90 116.408 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3267    .25 .0101
P     -.0053 .3226  .7292 .0031
OD1   -.0107 .3667 -.0420 .0126
O2     .2551 .2817  .8220 .0147
O3    -.0561 .3917  .5404 .0125
O4     .7797 .2538  .6334 .0078
OD2O1  .3631 .4261  .4791 .0232
OD2O2  .5326 .4464  .0232 .0361
D1    -.0992 .3316  .0307 .0315
D2     .3803 .4886  .4821 .0280
D3     .2046 .4120  .4743 .0290
D4     .5260 .5080  .0217 .0836
D5     .5077 .4348  .8702 .0709