MgSiO3 Murakami M, Hirose K, Kawamura K, Sata N, Ohishi Y Science 304 (2004) 855-858 Post-perovskite phase transition in MgSiO3 Sample: P = 121 GPa, T = 300 K Note: CaIrO3-type structure from ab initio calculations using observed cell parameters _database_code_amcsd 0015437 CELL PARAMETERS: 2.4560 8.0420 6.0930 90.000 90.000 90.000 SPACE GROUP: Cmcm X-RAY WAVELENGTH: 1.541838 Cell Volume: 120.344 Density (g/cm3): 5.540 MAX. ABS. INTENSITY / VOLUME**2: 15.18976505 RIR: 0.893 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 22.11 14.13 4.0210 0 2 0 2 29.32 5.30 3.0465 0 0 2 2 37.02 100.00 2.4283 0 2 2 4 38.32 20.26 2.3489 1 1 0 4 41.19 6.78 2.1917 1 1 1 8 45.09 5.23 2.0105 0 4 0 2 47.63 4.49 1.9092 0 4 1 4 50.33 31.88 1.8129 0 2 3 4 50.39 59.97 1.8109 1 3 0 4 52.73 74.87 1.7358 1 3 1 8 54.70 1.71 1.6780 0 4 2 4 59.37 38.28 1.5566 1 3 2 8 60.24 30.81 1.5363 1 1 3 8 60.81 23.88 1.5232 0 0 4 2 65.53 1.10 1.4245 0 2 4 4 69.55 7.09 1.3516 1 3 3 8 69.91 6.79 1.3455 1 5 0 4 71.85 7.35 1.3139 1 5 1 8 72.16 1.30 1.3090 0 6 1 4 74.20 17.92 1.2780 1 1 4 8 77.56 23.70 1.2308 1 5 2 8 77.77 18.64 1.2280 2 0 0 2 77.86 22.44 1.2268 0 6 2 4 78.83 11.90 1.2141 0 4 4 4 82.80 8.18 1.1657 1 3 4 8 89.42 14.17 1.0958 2 2 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.