Mg2SiO4 Finkelstein G J, Dera P K, Jahn S, Oganov A R, Holl C M, Meng Y, Duffy T S American Mineralogist 99 (2014) 35-43 Phase transitions and equation of state of forsterite to 90 GPa from single-crystal X-ray diffraction and molecular modeling Note: DFT Optimized Note: P = 58.2 GPa Locality: Synthetic _database_code_amcsd 0020330 CELL PARAMETERS: 2.5910 8.7260 8.7940 90.000 90.000 90.000 SPACE GROUP: Cmc2_1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 198.824 Density (g/cm3): 4.699 MAX. ABS. INTENSITY / VOLUME**2: 11.10018628 RIR: 0.769 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 20.20 19.21 4.3970 0 0 2 1 22.75 17.03 3.9084 0 2 1 2 28.83 4.57 3.0971 0 2 2 2 36.16 13.31 2.4838 1 1 0 4 36.94 100.00 2.4332 0 2 3 2 37.63 17.94 2.3903 1 1 1 4 41.05 1.62 2.1985 0 0 4 1 41.39 11.23 2.1815 0 4 0 2 41.77 6.20 2.1626 1 1 2 4 42.70 2.87 2.1173 0 4 1 2 46.24 43.46 1.9633 0 2 4 2 46.47 1.31 1.9542 0 4 2 2 46.96 27.83 1.9347 1 3 0 4 48.01 1.22 1.8950 1 1 3 4 48.16 95.61 1.8895 1 3 1 4 51.61 82.78 1.7709 1 3 2 4 55.85 16.32 1.6462 1 1 4 4 56.41 4.14 1.6312 0 2 5 2 57.04 5.69 1.6147 1 3 3 4 63.47 17.81 1.4657 0 0 6 1 64.12 7.87 1.4524 1 3 4 4 64.97 29.90 1.4354 1 1 5 4 65.34 7.29 1.4283 1 5 1 4 67.40 1.60 1.3894 0 2 6 2 67.88 5.20 1.3808 0 6 2 2 68.21 20.81 1.3749 1 5 2 4 72.56 27.80 1.3028 0 6 3 2 72.65 12.42 1.3014 1 3 5 4 72.88 18.69 1.2979 1 5 3 4 73.04 23.23 1.2955 2 0 0 2 75.28 7.68 1.2623 1 1 6 4 78.64 12.56 1.2166 0 4 6 2 79.24 1.90 1.2090 1 5 4 4 79.37 1.33 1.2072 0 2 7 2 82.58 1.41 1.1683 1 3 6 4 84.78 15.63 1.1435 2 2 3 4 87.22 3.02 1.1176 1 5 5 4 87.56 1.36 1.1143 1 7 1 4 87.59 3.60 1.1139 2 4 0 4 89.95 4.62 1.0907 0 8 0 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.