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 = 1.72 GPa
_database_code_amcsd 0003742
12.4557 12.4557 12.4557 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 .008
O    .0294 .0523 .6421 .023
D    .1535 .0893 .7997 .068   .033   .060   .110  -.013  -.017   .030