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 = 100 K
_database_code_amcsd 0008890
5.8007 15.1267 6.1887 90 116.419 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3276    .25 .0049
P     -.0098 .3225  .7284 .0006
OD1   -.0098 .3679 -.0357 .0052
O2     .2554 .2819  .8214 .0035
O3    -.0636 .3933  .5413 .0045
O4     .7789 .2531  .6347 .0023
OD2O1  .3668 .4256  .4854 .0048
OD2O2  .5261 .4461  .0138 .0116
D1    -.0977 .3302  .0344 .0180
D2     .3845 .4894  .4912 .0153
D3     .2062 .4119  .4856 .0171
D4     .5125 .5104  .0168 .0247
D5     .5009 .4330  .8551 .0287