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 = 4.2 K
_database_code_amcsd 0008880
5.79903 15.1254 6.18398 90 116.429 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3274    .25 .0038
P     -.0094 .3227  .7285 .0002
OD1   -.0097 .3679 -.0351 .0040
O2     .2556 .2819  .8215 .0025
O3    -.0650 .3933  .5415 .0034
O4     .7791 .2532  .6355 .0012
OD2O1  .3676 .4258  .4861 .0040
OD2O2  .5257 .4464  .0135 .0077
D1    -.0979 .3303  .0346 .0169
D2     .3844 .4894  .4920 .0139
D3     .2050 .4122  .4862 .0159
D4     .5117 .5107  .0160 .0222
D5     .5007 .4332  .8546 .0248