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 = 0.80 GPa
_database_code_amcsd 0003741
12.5163 12.5163 12.5163 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 .023
Al       0     0    .5 .009
O    .0290 .0519 .6420 .021
D    .1532 .0902 .7991 .062   .025   .058   .102  -.008  -.021   .020