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 = 350 K
_database_code_amcsd 0008900
5.8132 15.1973 6.2497 90 116.406 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3271    .25 .0093
P     -.0073 .3224  .7286 .0023
OD1   -.0113 .3666 -.0404 .0120
O2     .2552 .2821  .8222 .0129
O3    -.0578 .3922  .5409 .0124
O4     .7783 .2534  .6335 .0073
OD2O1  .3640 .4259  .4805 .0229
OD2O2  .5314 .4459  .0228 .0316
D1    -.1002 .3308  .0308 .0312
D2     .3809 .4886  .4841 .0266
D3     .2050 .4125  .4766 .0291
D4     .5233 .5090  .0199 .0736
D5     .5070 .4343  .8688 .0675