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 = 8.56 GPa
_database_code_amcsd 0003748
12.0926 12.0926 12.0926 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 .029
Al       0     0    .5 .017
O    .0312 .0525 .6432 .018
D    .1529 .0853 .8030 .093   .060   .091   .129  -.046  -.037   .057