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 = 80 K
_database_code_amcsd 0008888
5.8000 15.1256 6.1866 90 116.422 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3274    .25 .0044
P     -.0089 .3227  .7285 .0005
OD1   -.0098 .3678 -.0355 .0045
O2     .2556 .2819  .8214 .0033
O3    -.0637 .3934  .5412 .0045
O4     .7799 .2531  .6358 .0018
OD2O1  .3674 .4258  .4861 .0046
OD2O2  .5256 .4463  .0132 .0105
D1    -.0974 .3301  .0343 .0175
D2     .3843 .4891  .4915 .0147
D3     .2061 .4118  .4856 .0167
D4     .5117 .5109  .0156 .0252
D5     .5007 .4332  .8549 .0272