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 = 9.42 GPa
_database_code_amcsd 0003749
12.0549 12.0549 12.0549 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 .020
O    .0316 .0525 .6439 .019
D    .1528 .0859 .8037 .089   .059   .102   .107  -.054  -.041   .069