CaIrO3 Martin C D, Smith R I, Marshall W G, Parise J B American Mineralogist 92 (2007) 1912-1918 High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction Note: Ca(z) and O(y) changed to match normal structure Sample: P = 7.95 GPa _database_code_amcsd 0004486 3.1084 9.6931 7.2280 90 90 90 Cmcm atom x y z Uiso Ca 0 .2488 .25 .0083 Ir 0 0 0 .0126 O1 0 .92346 .25 .0125 O2 0 .62897 .0508 .0103