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 = 325 K
_database_code_amcsd 0008899
5.8119 15.1867 6.2416 90 116.405 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3273    .25 .0081
P     -.0084 .3227  .7291 .0022
OD1   -.0118 .3666 -.0397 .0116
O2     .2551 .2818  .8228 .0114
O3    -.0583 .3925  .5405 .0120
O4     .7774 .2535  .6340 .0071
OD2O1  .3640 .4264  .4817 .0203
OD2O2  .5301 .4462  .0217 .0271
D1    -.1003 .3300  .0315 .0297
D2     .3813 .4886  .4870 .0259
D3     .2047 .4123  .4772 .0293
D4     .5190 .5096  .0203 .0641
D5     .5072 .4343  .8683 .0611