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 = 175 K
_database_code_amcsd 0008893
5.8040 15.1361 6.2006 90 116.414 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3285    .25 .0061
P     -.0096 .3226  .7284 .0011
OD1   -.0103 .3678 -.0371 .0066
O2     .2552 .2818  .8221 .0053
O3    -.0622 .3934  .5412 .0063
O4     .7786 .2530  .6349 .0033
OD2O1  .3653 .4256  .4841 .0088
OD2O2  .5263 .4458  .0149 .0158
D1    -.0977 .3303  .0339 .0195
D2     .3850 .4890  .4918 .0169
D3     .2061 .4118  .4845 .0212
D4     .5140 .5105  .0181 .0302
D5     .5024 .4328  .8584 .0350