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 = 100 K
_database_code_amcsd 0001104
12.5389 12.5389 12.5389 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  .00134  .00088  .00088       0       0 -.00001
Al       0     0     0  .00050   .0005   .0005 -.00013 -.00013 -.00013
O    .0284 .0525 .6401  .00082  .00121  .00084 -.00010 -.00023 -.00024
D    .1521 .0899 .7995  .00211  .00497  .00820 -.00196 -.00175  .00262