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 = 90 K
_database_code_amcsd 0008889
5.8003 15.1259 6.1873 90 116.422 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3274    .25 .0047
P     -.0101 .3227  .7272 .0004
OD1   -.0103 .3679 -.0364 .0051
O2     .2556 .2819  .8210 .0033
O3    -.0643 .3934  .5407 .0046
O4     .7787 .2530  .6348 .0021
OD2O1  .3666 .4256  .4852 .0050
OD2O2  .5255 .4463  .0131 .0104
D1    -.0979 .3302  .0337 .0180
D2     .3841 .4893  .4912 .0154
D3     .2054 .4122  .4850 .0172
D4     .5107 .5107  .0156 .0246
D5     .5003 .4328  .8540 .0280