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
_database_code_amcsd 0001106
12.5695 12.5695 12.5695 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 .00172 .00149 .00149       0       0 -.00029
Al       0     0     0 .00094 .00094 .00094 -.00080 -.00080 -.00080
O    .0288 .0522 .6402 .00197 .00183 .00120 -.00019 -.00004 -.00063
D    .1517 .0913 .7985 .00293 .00635 .01098 -.00268 -.00165  .00249