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 = 125 K
_database_code_amcsd 0008891
5.8016 15.1284 6.1916 90 116.418 90 Ia
atom        x     y      z  Uiso
Ca         .5 .3272    .25 .0051
P      -.0097 .3225  .7280 .0008
OD1    -.0102 .3678 -.0366 .0053
O2      .2554 .2819  .8217 .0038
O3    -.06324 .3933  .5409 .0060
O4      .7795 .2529  .6342 .0026
OD2O1   .3665 .4256  .4852 .0059
OD2O2   .5259 .4461  .0138 .0135
D1     -.0982 .3305  .0338 .0184
D2      .3839 .4891  .4905 .0164
D3      .2058 .4116  .4846 .0183
D4      .5119 .5106  .0171 .0254
D5      .5000 .4331  .8548 .0303