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: P = 52.4 GPa Locality: Synthetic _database_code_amcsd 0020328 CELL PARAMETERS: 4.6950 9.2010 5.3110 93.100 107.264 98.133 SPACE GROUP: P1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 215.766 Density (g/cm3): 4.330 MAX. ABS. INTENSITY / VOLUME**2: 5.779365423 RIR: 0.435 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.76 36.30 9.0613 0 1 0 1 17.58 4.34 5.0455 0 0 1 1 19.59 4.07 4.5307 0 2 0 1 20.08 6.05 4.4219 1 0 0 1 20.85 26.88 4.2611 -1 1 0 1 21.01 33.47 4.2293 0 1 1 1 22.28 5.89 3.9899 -1 0 1 1 23.80 2.68 3.7380 1 1 0 1 25.05 8.32 3.5554 0 -2 1 1 25.72 11.19 3.4634 -1 2 0 1 27.77 3.15 3.2126 0 2 1 1 28.78 6.84 3.1019 -1 2 1 1 30.49 3.34 2.9317 1 2 0 1 30.65 3.98 2.9170 1 -1 1 1 30.72 7.01 2.9107 1 0 1 1 30.86 13.48 2.8972 -1 -2 1 1 33.04 39.51 2.7114 -1 3 0 1 33.70 11.70 2.6597 1 -2 1 1 33.89 4.35 2.6453 1 1 1 1 35.11 4.68 2.5561 -1 0 2 1 35.59 3.99 2.5227 0 0 2 1 35.97 3.15 2.4967 0 -1 2 1 36.04 24.72 2.4920 -1 3 1 1 36.18 7.52 2.4828 0 3 1 1 36.45 19.12 2.4649 -1 -1 2 1 36.60 3.14 2.4553 -1 1 2 1 37.98 47.01 2.3689 0 1 2 1 38.60 20.33 2.3323 -1 -3 1 1 38.78 69.35 2.3219 1 3 0 1 39.06 2.16 2.3059 0 -2 2 1 39.12 11.60 2.3024 -2 0 1 1 39.14 24.66 2.3016 -2 1 1 1 39.23 23.54 2.2967 1 -3 1 1 39.50 3.83 2.2814 1 2 1 1 39.79 7.30 2.2653 0 4 0 1 40.36 2.16 2.2346 -2 1 0 1 40.39 4.61 2.2334 -1 -2 2 1 40.66 4.03 2.2191 -1 2 2 1 41.71 5.99 2.1654 -2 2 1 1 42.03 1.99 2.1498 0 -4 1 1 42.43 1.45 2.1305 -2 2 0 1 42.76 1.96 2.1146 0 2 2 1 43.72 4.90 2.0706 2 1 0 1 44.62 3.42 2.0308 -1 4 1 1 45.47 1.97 1.9949 -2 0 2 1 45.53 3.85 1.9923 0 4 1 1 45.90 45.28 1.9770 -2 1 2 1 46.16 1.32 1.9667 1 -1 2 1 46.36 1.53 1.9584 -1 -3 2 1 46.43 1.56 1.9557 -2 -2 1 1 46.50 1.33 1.9532 1 -4 1 1 46.73 2.42 1.9440 -1 3 2 1 46.83 17.14 1.9399 1 3 1 1 47.33 1.63 1.9208 -2 -1 2 1 47.50 2.96 1.9143 -1 -4 1 1 47.96 100.00 1.8968 1 -2 2 1 48.06 73.10 1.8932 1 4 0 1 48.59 77.27 1.8739 -2 2 2 1 49.09 6.76 1.8560 2 -1 1 1 49.87 4.08 1.8286 2 0 1 1 50.35 2.67 1.8123 0 5 0 1 50.48 1.88 1.8080 2 -2 1 1 51.40 3.36 1.7777 0 -4 2 1 51.84 14.13 1.7635 0 -5 1 1 51.86 17.61 1.7631 1 -3 2 1 51.87 1.54 1.7627 -1 0 3 1 53.26 1.32 1.7198 -2 3 2 1 53.88 2.21 1.7017 -1 -4 2 1 55.14 1.52 1.6657 -1 -2 3 1 55.41 5.81 1.6582 1 4 1 1 57.36 1.24 1.6063 0 4 2 1 57.53 1.42 1.6020 2 2 1 1 58.11 2.24 1.5874 1 5 0 1 58.48 6.22 1.5782 -2 1 3 1 59.05 1.02 1.5643 -3 1 1 1 59.17 2.38 1.5614 2 -4 1 1 59.65 2.27 1.5501 -1 -3 3 1 60.20 2.30 1.5373 0 -3 3 1 60.30 1.37 1.5348 1 3 2 1 60.47 3.77 1.5311 -2 5 0 1 61.11 3.28 1.5164 -2 2 3 1 62.03 4.02 1.4961 -1 3 3 1 62.09 1.47 1.4949 -2 -2 3 1 62.11 1.10 1.4945 -3 1 0 1 62.14 1.38 1.4939 -3 1 2 1 62.36 3.55 1.4890 0 -6 1 1 63.11 13.47 1.4732 -1 5 2 1 63.46 1.68 1.4658 2 4 0 1 63.47 3.68 1.4657 -3 3 1 1 63.72 2.38 1.4605 -3 2 2 1 63.82 4.39 1.4585 2 -2 2 1 63.92 1.59 1.4563 2 3 1 1 64.42 1.31 1.4462 1 -1 3 1 64.45 1.79 1.4457 -1 6 1 1 64.59 1.43 1.4429 1 -6 1 1 65.02 1.41 1.4345 1 5 1 1 65.13 1.83 1.4322 1 0 3 1 65.51 2.08 1.4248 -2 3 3 1 65.55 3.81 1.4241 1 -2 3 1 65.86 1.75 1.4182 3 1 0 1 66.39 5.06 1.4080 0 6 1 1 66.52 2.66 1.4057 0 5 2 1 66.79 12.05 1.4007 2 1 2 1 67.38 1.97 1.3898 -2 5 2 1 68.06 3.30 1.3776 1 4 2 1 68.32 1.17 1.3730 -3 4 1 1 68.44 40.47 1.3708 -3 -2 2 1 68.46 1.43 1.3705 1 -3 3 1 68.80 4.34 1.3645 -1 4 3 1 69.18 27.87 1.3580 0 -6 2 1 69.98 2.60 1.3443 -2 -5 1 1 70.19 33.01 1.3409 -3 4 0 1 70.91 1.23 1.3290 -3 1 3 1 71.13 18.82 1.3254 -1 0 4 1 71.30 20.83 1.3227 2 2 2 1 71.32 13.73 1.3224 -1 -1 4 1 71.74 1.27 1.3157 2 4 1 1 72.54 1.27 1.3031 -3 -1 3 1 72.72 3.89 1.3004 0 -5 3 1 72.89 5.07 1.2978 -2 -5 2 1 73.00 13.00 1.2960 -1 6 2 1 73.10 6.64 1.2945 0 7 0 1 73.33 1.17 1.2910 -2 -4 3 1 73.40 1.33 1.2900 -1 -5 3 1 73.65 2.78 1.2862 3 -3 1 1 75.66 3.22 1.2569 -1 7 1 1 75.95 1.01 1.2529 -1 2 4 1 76.44 7.92 1.2460 3 3 0 1 76.84 1.11 1.2406 2 -5 2 1 76.87 1.29 1.2401 -1 -3 4 1 77.11 3.56 1.2369 1 5 2 1 77.80 2.16 1.2276 -2 2 4 1 78.74 5.06 1.2153 -3 5 2 1 79.23 1.04 1.2091 1 -5 3 1 79.28 1.64 1.2084 0 -3 4 1 79.36 8.33 1.2074 -2 7 0 1 79.76 1.06 1.2024 0 -7 2 1 80.29 1.01 1.1958 -2 -6 1 1 80.41 1.74 1.1943 -2 7 1 1 81.21 2.44 1.1845 -2 -5 3 1 81.97 1.14 1.1754 2 0 3 1 82.10 1.58 1.1739 -2 3 4 1 82.12 1.20 1.1737 -1 -4 4 1 82.38 2.58 1.1706 -1 -6 3 1 82.45 2.21 1.1698 -4 1 1 1 83.15 1.08 1.1617 3 -5 1 1 83.72 1.06 1.1552 2 -7 1 1 84.08 1.16 1.1512 -4 0 2 1 84.34 3.19 1.1484 2 -6 2 1 84.56 1.14 1.1459 3 -1 2 1 85.59 2.06 1.1347 -3 -1 4 1 86.56 2.23 1.1245 -1 6 3 1 86.60 9.71 1.1240 0 3 4 1 86.63 2.36 1.1238 3 -3 2 1 87.01 2.51 1.1198 -4 1 0 1 87.32 8.22 1.1167 -2 -4 4 1 88.00 1.31 1.1098 -1 8 1 1 88.43 8.06 1.1055 4 0 0 1 89.15 1.47 1.0984 3 1 2 1 89.38 1.34 1.0962 2 2 3 1 89.44 1.59 1.0956 -4 1 3 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.