Microsommite Bonaccorsi E, Merlino S, Pasero M, Macedonio G Physics and Chemistry of Minerals 28 (2001) 509-522 Microsommite: crystal chemistry, phase transitions, Ising model and Monte Carlo simulations _database_code_amcsd 0008599 CELL PARAMETERS: 22.1610 22.1610 5.3580 90.000 90.000 120.000 SPACE GROUP: P6_3 X-RAY WAVELENGTH: 1.541838 Cell Volume: 2278.830 Density (g/cm3): 2.482 MAX. ABS. INTENSITY / VOLUME**2: 8.399713072 RIR: 1.102 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 4.60 3.32 19.1920 1 0 0 6 12.20 1.08 7.2539 1 2 0 6 13.84 1.83 6.3973 3 0 0 6 17.18 1.78 5.1607 1 0 1 6 18.39 87.53 4.8237 1 1 1 6 21.21 4.44 4.1880 1 4 0 6 23.56 1.36 3.7762 1 3 1 6 24.10 99.28 3.6935 3 3 0 6 24.91 2.32 3.5743 4 0 1 6 26.20 1.14 3.4017 3 2 1 6 27.02 50.47 3.2996 1 4 1 6 27.02 49.53 3.2996 4 1 1 6 27.89 1.65 3.1987 6 0 0 6 28.61 1.97 3.1203 5 0 1 6 29.06 2.61 3.0732 2 5 0 6 29.06 3.97 3.0732 5 2 0 6 29.37 11.50 3.0410 3 3 1 6 29.75 2.11 3.0035 2 4 1 6 30.85 1.35 2.8989 1 5 1 6 30.85 2.05 2.8989 5 1 1 6 32.32 22.43 2.7701 4 4 0 6 32.94 1.49 2.7188 4 3 1 6 33.45 43.30 2.6790 0 0 2 1 33.62 12.45 2.6658 2 5 1 6 33.62 20.72 2.6658 5 2 1 6 34.44 6.59 2.6040 1 1 2 6 34.93 1.10 2.5685 1 6 1 6 36.36 4.69 2.4711 3 0 2 6 36.52 24.94 2.4607 4 4 1 6 37.18 2.72 2.4180 3 6 0 6 37.18 4.39 2.4180 6 3 0 6 39.23 1.05 2.2967 7 1 1 6 39.23 1.06 2.2967 1 7 1 6 40.71 1.46 2.2161 5 5 0 6 41.65 2.46 2.1686 3 3 2 6 42.39 36.70 2.1324 9 0 0 6 44.09 10.33 2.0538 6 0 2 6 44.88 3.37 2.0194 2 5 2 6 44.88 1.78 2.0194 5 2 2 6 46.57 1.32 1.9504 2 8 1 6 47.20 13.78 1.9257 4 4 2 6 48.82 1.96 1.8656 4 7 1 6 48.82 2.43 1.8656 7 4 1 6 49.35 1.10 1.8467 6 6 0 6 49.43 1.28 1.8440 7 1 2 6 49.43 1.58 1.8440 1 7 2 6 50.07 1.46 1.8216 1 10 0 6 50.87 12.43 1.7950 3 6 2 6 50.87 15.20 1.7950 6 3 2 6 51.51 1.16 1.7743 9 3 0 6 51.85 4.39 1.7632 1 1 3 6 53.10 6.10 1.7247 1 10 1 6 53.10 3.48 1.7247 10 1 1 6 55.04 3.07 1.6684 9 0 2 6 55.97 3.70 1.6429 1 4 3 6 55.97 3.51 1.6429 4 1 3 6 57.16 2.19 1.6115 5 8 1 6 57.64 8.76 1.5993 12 0 0 6 59.90 1.65 1.5442 2 5 3 6 59.90 2.87 1.5442 5 2 3 6 60.93 3.09 1.5205 6 6 2 6 61.04 5.16 1.5181 7 7 1 6 61.04 2.04 1.5181 2 11 1 6 61.56 1.09 1.5064 1 10 2 6 61.81 6.79 1.5011 4 4 3 6 62.92 1.02 1.4770 10 4 1 6 63.37 3.02 1.4676 9 6 0 6 67.64 2.08 1.3851 8 8 0 6 68.30 16.99 1.3732 12 0 2 6 70.18 11.60 1.3410 8 8 1 6 70.27 5.88 1.3395 0 0 4 1 72.03 1.19 1.3111 3 0 4 6 73.59 3.56 1.2872 6 9 2 6 73.59 7.13 1.2872 9 6 2 6 74.39 2.37 1.2753 1 10 3 6 74.39 1.47 1.2753 10 1 3 6 75.41 1.90 1.2605 10 7 1 6 75.50 3.18 1.2592 3 3 4 6 77.03 2.18 1.2380 3 12 2 6 77.03 2.75 1.2380 12 3 2 6 77.54 1.10 1.2312 9 9 0 6 77.60 1.80 1.2304 8 8 2 6 79.48 1.88 1.2059 4 4 4 6 81.20 2.14 1.1846 7 7 3 6 85.63 2.07 1.1343 9 0 4 6 89.55 4.46 1.0945 8 8 3 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.