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 = 400 K
_database_code_amcsd 0008902
5.8151 15.2179 6.2664 90 116.413 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3268    .25 .0110
P     -.0032 .3231  .7292 .0030
OD1   -.0109 .3671 -.0436 .0132
O2     .2570 .2812  .8216 .0166
O3    -.0559 .3914  .5398 .0133
O4     .7810 .2538  .6339 .0065
OD2O1  .3620 .4260  .4775 .0287
OD2O2  .5358 .4457  .0259 .0403
D1    -.1002 .3315  .0295 .0340
D2     .3802 .4879  .4810 .0340
D3     .2042 .4119  .4744 .0330
D4     .5305 .5074  .0236 .0946
D5     .5087 .4357  .8732 .0790