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 = 7.9 GPa
_database_code_amcsd 0001831
12.077 12.077 12.077 90 90 90 Ia-3d
atom     x     y     z  Uiso
Ca    .125     0   .25 .0001
Al       0     0    .5  .020
H    .1580 .0820 .7940  .029
O    .0306 .0561 .6401  .004