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 = 300 K, X-ray 2, without H
_database_code_amcsd 0001108
12.565 12.565 12.565 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 .00171 .00114 .00114       0       0  .00032
Al       0     0     0 .00106 .00106 .00106 -.00008 -.00008 -.00008
OH   .0286 .0528 .6398 .00185 .00181 .00129 -.00030 -.00012 -.00045