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 = 300 K
_database_code_amcsd 0008898
5.8105 15.1758 6.2337 90 116.405 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3275    .25 .0085
P     -.0076 .3222  .7293 .0017
OD1   -.0102 .3665 -.0386 .0109
O2     .2565 .2819  .8236 .0108
O3    -.0589 .3928  .5415 .0105
O4     .7781 .2531  .6349 .0065
OD2O1  .3658 .4260  .4818 .0185
OD2O2  .5293 .4457  .0208 .0256
D1    -.0990 .3300  .0329 .0270
D2     .3827 .4886  .4883 .0236
D3     .2056 .4119  .4781 .0284
D4     .5216 .5099  .0219 .0524
D5     .5085 .4338  .8677 .0551