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 = 10 K
_database_code_amcsd 0008881
5.7990 15.1255 6.1839 90 116.428 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3274    .25 .0036
P     -.0100 .3227  .7280 .0004
OD1   -.0098 .3680 -.0356 .0037
O2     .2553 .2819  .8209 .0026
O3    -.0647 .3933  .5408 .0037
O4     .7794 .2531  .6349 .0014
OD2O1  .3672 .4258  .4858 .0035
OD2O2  .5252 .4463  .0131 .0085
D1    -.0981 .3301  .0338 .0170
D2     .3842 .4895  .4916 .0138
D3     .2055 .4120  .4859 .0157
D4     .5116 .5107  .0156 .0222
D5     .5010 .4330  .8543 .0254