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 = 250 K
_database_code_amcsd 0008896
5.8077 15.1563 6.2186 90 116.408 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3276    .25 .0079
P     -.0098 .3220  .7281 .0013
OD1   -.0108 .3672 -.0384 .0089
O2     .2556 .2821  .8222 .0085
O3    -.0606 .3931  .5407 .0087
O4     .7777 .2529  .6341 .0051
OD2O1  .3654 .4259  .4824 .0148
OD2O2  .5290 .4455  .0182 .0215
D1    -.0981 .3300  .0335 .0236
D2     .3845 .4891  .4907 .0201
D3     .2067 .4119  .4816 .0262
D4     .5186 .5102  .0203 .0409
D5     .5055 .4332  .8630 .0473