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 = 4.05 GPa
_database_code_amcsd 0003744
12.3165 12.3165 12.3165 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  .027
Al       0     0    .5  .014
O    .0299 .0521 .6426 .0181
D    .1525 .0876 .8012  .075   .034   .068   .122  -.023  -.022   .031