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