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 = 200 K
_database_code_amcsd 0008894
5.8053 15.1420 6.2060 90 116.413 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3274    .25 .0068
P     -.0104 .3223  .7268 .0011
OD1   -.0102 .3675 -.0380 .0071
O2     .2546 .2818  .8210 .0063
O3    -.0621 .3933  .5407 .0076
O4     .7785 .2529  .6338 .0041
OD2O1  .3656 .4256  .4827 .0105
OD2O2  .5269 .4456  .0153 .0181
D1    -.0985 .3300  .0322 .0201
D2     .3837 .4891  .4902 .0183
D3     .2067 .4117  .4832 .0227
D4     .5154 .5103  .0171 .0329
D5     .5032 .4329  .8576 .0393