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
Note: Obvious typo in the x-coordinate of D2 corrected
Sample: T = 20 K
_database_code_amcsd 0008882
5.7991 15.1251 6.1840 90 116.429 90 Ia
atom       x     y      z  Uiso
Ca        .5 .3275    .25 .0041
P     -.0091 .3226  .7282 .0004
OD1   -.0094 .3680 -.0353 .0036
O2     .2560 .2819  .8213 .0024
O3    -.0639 .3933  .5415 .0036
O4     .7797 .2531  .6352 .0015
OD2O1  .3680 .4258  .4859 .0033
OD2O2  .5264 .4464  .0133 .0085
D1    -.0968 .3303  .0348 .0171
D2     .3850 .4894  .4916 .0145
D3     .2062 .4120  .4860 .0154
D4     .5125 .5106  .0160 .0230
D5     .5003 .4332  .8541 .0256