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 = 50 K
_database_code_amcsd 0008885
5.7992 15.1256 6.1844 90 116.426 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3273    .25 .0040
P     -.0095 .3228  .7280 .0005
OD1   -.0093 .3680 -.0356 .0038
O2     .2556 .2819  .8213 .0027
O3    -.0642 .3934  .5413 .0036
O4     .7791 .2532  .6352 .0015
OD2O1  .3675 .4258  .4857 .0043
OD2O2  .5255 .4464  .0133 .0089
D1    -.0979 .3302  .0342 .0176
D2     .3840 .4893  .4917 .0143
D3     .2061 .4121  .4860 .0158
D4     .5122 .5108  .0162 .0230
D5     .5007 .4330  .8548 .0258