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 = 30 K
_database_code_amcsd 0008883
5.7990 15.1255 6.1839 90 116.427 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3273    .25 .0034
P     -.0092 .3228  .7281 .0002
OD1   -.0096 .3678 -.0355 .0046
O2     .2561 .2819  .8210 .0030
O3    -.0644 .3933  .5411 .0037
O4     .7794 .2537  .6352 .0014
OD2O1  .3677 .4258  .4861 .0040
OD2O2  .5252 .4465  .0134 .0084
D1    -.0983 .3298  .0338 .0173
D2     .3848 .4894  .4919 .0141
D3     .2058 .4119  .4853 .0157
D4     .5118 .5108  .0160 .0232
D5     .5011 .4328  .8543 .0249