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 = 150 K
_database_code_amcsd 0008892
5.8026 15.1314 6.1956 90 116.416 90 Ia
atom        x     y      z  Uiso
Ca         .5 .3275    .25 .0055
P      -.0102 .3225  .7280 .0011
OD1    -.0110 .3679 -.0368 .0057
O2      .2545 .2818  .8216 .0047
O3    -.06319 .3934  .5413 .0060
O4      .7780 .2528  .6346 .0027
OD2O1   .3653 .4255  .4848 .0075
OD2O2   .5247 .4460  .0134 .0147
D1     -.0992 .3303  .0332 .0192
D2      .3829 .4892  .4901 .0166
D3      .2053 .4117  .4843 .0197
D4      .5112 .5106  .0171 .0281
D5      .5006 .4332  .8561 .0334