Clinohypersthene Shimobayashi N, Miyake A, Kitamura M, Miura E Physics and Chemistry of Minerals 28 (2001) 591-599 Molecular dynamics simulations of the phase transition between low-temperature and high-temperature clinoenstatites Sample: from Smyth and Burnham, 1972 _database_code_amcsd 0008601 CELL PARAMETERS: 9.8690 9.0590 5.3340 90.000 109.910 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 448.374 Density (g/cm3): 2.974 MAX. ABS. INTENSITY / VOLUME**2: 10.65515554 RIR: 1.167 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 19.13 2.71 4.6396 2 0 0 2 19.60 9.98 4.5295 0 2 0 2 24.90 3.38 3.5761 1 1 1 4 26.52 37.69 3.3615 0 2 1 4 27.52 37.26 3.2411 2 2 0 4 29.03 100.00 3.0760 -2 2 1 4 29.98 19.89 2.9806 -3 1 1 4 30.54 45.61 2.9271 3 1 0 4 31.15 2.94 2.8714 1 3 0 4 34.31 19.26 2.6135 -1 3 1 4 34.38 5.20 2.6087 -2 0 2 2 35.81 29.95 2.5076 0 0 2 2 36.41 15.52 2.4676 2 2 1 4 40.37 4.89 2.2340 3 1 1 4 41.15 1.58 2.1938 0 2 2 4 41.38 19.26 2.1819 -3 3 1 4 41.59 7.70 2.1713 1 1 2 4 41.81 4.51 2.1607 3 3 0 4 41.97 3.60 2.1527 -4 2 1 4 43.18 9.93 2.0953 -4 0 2 2 43.86 9.39 2.0641 0 4 1 4 44.52 1.20 2.0352 2 4 0 4 45.53 8.37 1.9924 -2 4 1 4 46.67 4.96 1.9461 2 0 2 2 48.64 1.26 1.8718 -3 3 2 4 50.18 4.95 1.8181 5 1 0 4 50.80 1.44 1.7973 1 3 2 4 50.88 3.80 1.7947 2 4 1 4 51.08 7.21 1.7881 2 2 2 4 51.38 8.66 1.7782 1 5 0 4 52.82 2.56 1.7333 4 2 1 4 53.59 4.16 1.7102 -2 4 2 4 53.66 1.63 1.7079 -3 1 3 4 54.60 3.57 1.6807 0 4 2 4 55.40 3.82 1.6585 3 1 2 4 55.54 17.12 1.6547 -2 2 3 4 55.65 17.59 1.6516 -5 3 1 4 56.81 1.57 1.6205 4 4 0 4 58.48 3.14 1.5782 -6 0 2 2 58.76 4.59 1.5713 -3 5 1 4 59.80 4.12 1.5465 6 0 0 2 61.14 8.58 1.5158 -1 3 3 4 61.41 7.90 1.5098 0 6 0 2 61.53 1.91 1.5070 -3 3 3 4 62.30 3.55 1.4903 -6 2 2 4 63.20 2.52 1.4713 4 0 2 2 64.60 3.63 1.4428 -3 5 2 4 65.53 1.79 1.4245 3 5 1 4 66.92 3.35 1.3983 -2 4 3 4 67.03 19.48 1.3962 5 3 1 4 67.77 2.77 1.3827 1 3 3 4 68.68 6.36 1.3666 -7 1 2 4 68.89 2.50 1.3630 -5 3 3 4 70.86 1.20 1.3298 -2 0 4 2 71.71 2.02 1.3162 -3 1 4 4 72.00 2.19 1.3116 7 1 0 4 72.31 3.36 1.3067 -2 6 2 4 72.46 6.17 1.3043 -4 0 4 2 73.17 10.21 1.2935 0 6 2 4 73.90 2.09 1.2825 5 1 2 4 74.34 1.95 1.2759 -2 2 4 4 74.47 1.55 1.2740 -7 3 1 4 75.88 1.49 1.2538 0 0 4 2 77.28 6.13 1.2347 3 5 2 4 78.00 1.77 1.2249 -4 6 2 4 80.54 1.13 1.1927 -6 0 4 2 87.09 1.20 1.1190 -8 2 3 4 87.70 1.54 1.1128 -7 1 4 4 89.08 1.75 1.0991 -7 -5 2 4 89.69 4.27 1.0932 -2 8 1 4 89.92 1.35 1.0910 -6 -6 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.