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 = 0.08 GPa
_database_code_amcsd 0003740
12.5670 12.5670 12.5670 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 .017
Al       0     0    .5 .009
O    .0287 .0521 .6421 .018
D    .1532 .0908 .7977 .059   .021   .051   .105  -.004  -.015   .020