Katoite
Lager G A, Von Dreele R B
American Mineralogist 81 (1996) 1097-1104
Neutron powder diffraction study of hydrogarnet to 9.0 GPa
P = 9.0 GPa
_database_code_amcsd 0001832
12.024 12.024 12.024 90 90 90 Ia-3d
atom     x     y     z  Uiso
Ca    .125     0   .25 .0005
Al       0     0    .5  .031
H    .1630 .0870 .7950  .026
O    .0297 .0559 .6404  .005