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 = 2.98 GPa
_database_code_amcsd 0003743
12.3783 12.3783 12.3783 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  .011
O    .0296 .0517 .6419 .0184
D    .1528 .0881 .8001  .070   .036   .067   .107  -.020  -.020   .033