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