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 = 70 K
_database_code_amcsd 0008887
5.7997 15.1257 6.1857 90 116.425 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3273    .25 .0043
P     -.0088 .3227  .7283 .0007
OD1   -.0096 .3680 -.0357 .0042
O2     .2558 .2817  .8212 .0029
O3    -.0636 .3933  .5411 .0041
O4     .7797 .2530  .6350 .0018
OD2O1  .3671 .4258  .4855 .0044
OD2O2  .5252 .4464 .01287 .0094
D1    -.0971 .3302  .0342 .0177
D2     .3849 .4894  .4913 .0147
D3     .2064 .4119  .4855 .0168
D4     .5121 .5109  .0161 .0231
D5     .5009 .4329  .8539 .0268