Katoite
Lager G A, Marshall W G, Liu Z, Downs R T
American Mineralogist 90 (2005) 639-644
Re-examination of the hydrogarnet structure at high pressure
using neutron powder diffraction and infrared spectroscopy
Sample: P = 6.65 GPa
_database_code_amcsd 0003746
12.1812 12.1812 12.1812 90 90 90 Ia3d
atom     x     y     z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca    .125     0   .25 .029
Al       0     0    .5 .015
O    .0311 .0522 .6437 .021
D    .1516 .0876 .8034 .088   .041   .088   .133  -.035  -.024   .040