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 = 7.55 GPa
_database_code_amcsd 0003747
12.1388 12.1388 12.1388 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 .026
Al       0     0    .5 .011
O    .0314 .0515 .6445 .018
D    .1514 .0873 .8038 .087   .039   .090   .132  -.035  -.023   .050