Hydrogarnet
Lager G A, Armbruster T, Faber J
American Mineralogist 72 (1987) 756-765
Neutron and X-ray diffraction study of hydrogarnet Ca3Al2(O4H4)3
Sample: T = 200 K
_database_code_amcsd 0001105
12.5530 12.5530 12.5530 90 90 90 Ia-3d
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ca    .125     0   .25 .00142 .00117 .00117       0       0       0
Al       0     0     0 .00074 .00074 .00074 -.00016 -.00016 -.00016
O    .0284 .0523 .6399 .00105 .00144 .00107 -.00008 -.00019 -.00020
D    .1523 .0904 .7986 .00222 .00519 .00890 -.00215 -.00149  .00235