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 = 6.65 GPa _database_code_amcsd 0003746 12.1812 12.1812 12.1812 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 .015 O .0311 .0522 .6437 .021 D .1516 .0876 .8034 .088 .041 .088 .133 -.035 -.024 .040