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 = 40 K
_database_code_amcsd 0008884
5.7991 15.1253 6.1842 90 116.428 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3273    .25 .0039
P     -.0095 .3226  .7288 .0005
OD1   -.0097 .3680 -.0352 .0038
O2     .2556 .2817  .8216 .0027
O3    -.0640 .3933  .5419 .0035
O4     .7796 .2532  .6357 .0017
OD2O1  .3673 .4258  .4861 .0039
OD2O2  .5255 .4464  .0135 .0085
D1    -.0973 .3302  .0349 .0170
D2     .3847 .4894  .4920 .0143
D3     .2057 .4120  .4860 .0161
D4     .5124 .5107  .0166 .0228
D5     .5013 .4331  .8552 .0249