Realgar Hejny C, Sagl R, Tobbens D M, Miletich R, Wildner M, Nasdala L, Ullrich A, Balic-Zunic T Physics and Chemistry of Minerals 39 (2012) 399-412 Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 0.89 GPa Locality: Baia Sprie mine, Romania _database_code_amcsd 0019367 CELL PARAMETERS: 9.1640 13.2270 6.4700 90.000 106.560 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 751.714 Density (g/cm3): 3.781 MAX. ABS. INTENSITY / VOLUME**2: 18.06395920 RIR: 1.556 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.10 9.13 7.3173 1 1 0 4 13.39 5.41 6.6135 0 2 0 2 14.96 45.58 5.9238 -1 0 1 2 15.78 44.05 5.6151 0 1 1 4 16.40 27.83 5.4064 -1 1 1 4 16.78 100.00 5.2834 1 2 0 4 19.62 9.40 4.5238 0 2 1 4 19.74 1.27 4.4980 1 0 1 2 20.12 1.37 4.4125 -1 2 1 4 21.32 5.39 4.1682 2 1 0 4 22.25 23.79 3.9958 -2 1 1 4 22.56 4.35 3.9405 1 3 0 4 23.93 5.21 3.7193 1 2 1 4 24.33 7.59 3.6587 2 2 0 4 24.78 5.15 3.5934 0 3 1 4 25.15 11.20 3.5405 -2 2 1 4 28.34 3.50 3.1486 1 3 1 4 28.47 1.43 3.1349 -1 1 2 4 28.69 41.41 3.1116 2 3 0 4 28.79 48.54 3.1008 0 0 2 2 28.85 29.83 3.0947 1 4 0 4 28.86 4.19 3.0936 2 1 1 4 29.40 1.15 3.0379 -2 3 1 4 29.59 8.13 3.0190 0 1 2 4 29.80 40.50 2.9981 -3 0 1 2 30.57 7.03 2.9239 -3 1 1 4 30.64 24.22 2.9179 0 4 1 4 30.83 28.17 2.9001 -1 2 2 4 30.94 18.95 2.8903 -2 1 2 4 31.19 61.89 2.8673 2 2 1 4 31.29 1.89 2.8588 3 1 0 4 31.87 11.04 2.8075 0 2 2 4 32.80 13.69 2.7306 -3 2 1 4 33.14 1.49 2.7032 -2 2 2 4 33.47 13.05 2.6773 3 2 0 4 33.64 48.27 2.6643 1 4 1 4 33.93 11.16 2.6417 2 4 0 4 33.97 16.95 2.6388 1 1 2 4 34.55 8.20 2.5962 -2 4 1 4 35.39 3.72 2.5364 0 3 2 4 35.44 20.25 2.5330 1 5 0 4 36.01 1.50 2.4941 1 2 2 4 36.23 3.10 2.4792 -3 3 1 4 36.34 14.09 2.4725 -3 1 2 4 36.55 2.22 2.4586 -2 3 2 4 36.85 14.95 2.4391 3 3 0 4 37.22 17.92 2.4155 -1 5 1 4 37.52 9.94 2.3970 3 0 1 2 38.16 5.98 2.3586 3 1 1 4 38.26 11.56 2.3523 -3 2 2 4 39.00 8.29 2.3095 -1 4 2 4 39.30 2.58 2.2928 2 4 1 4 39.78 1.08 2.2661 2 5 0 4 39.85 1.22 2.2619 0 4 2 4 40.01 3.02 2.2536 3 2 1 4 40.09 2.11 2.2490 2 0 2 2 40.94 12.49 2.2045 0 6 0 2 41.10 1.94 2.1960 4 0 0 2 41.18 5.83 2.1921 3 4 0 4 41.30 12.78 2.1858 -3 3 2 4 41.69 1.73 2.1663 4 1 0 4 41.83 3.19 2.1598 -4 2 1 4 41.95 12.80 2.1538 -1 0 3 2 42.27 12.53 2.1382 1 6 0 4 42.45 3.71 2.1293 2 2 2 4 42.53 7.59 2.1258 -1 1 3 4 43.16 10.90 2.0958 -4 0 2 2 43.28 13.73 2.0907 -2 1 3 4 43.42 5.76 2.0841 4 2 0 4 43.57 1.07 2.0772 0 6 1 4 43.73 4.08 2.0700 -4 1 2 4 43.82 4.37 2.0661 -1 6 1 4 44.35 3.02 2.0424 0 1 3 4 44.95 5.60 2.0165 -2 2 3 4 45.28 2.90 2.0027 -3 4 2 4 45.39 4.56 1.9979 -4 2 2 4 45.96 3.20 1.9746 -3 0 3 2 46.07 3.39 1.9702 2 6 0 4 46.25 1.75 1.9629 3 5 0 4 46.50 1.29 1.9530 -3 1 3 4 46.55 1.45 1.9511 -2 6 1 4 46.81 4.24 1.9408 3 4 1 4 46.95 2.08 1.9352 -1 3 3 4 48.00 1.06 1.8954 1 0 3 2 48.22 4.22 1.8872 1 5 2 4 48.52 1.39 1.8762 1 1 3 4 49.33 1.16 1.8473 1 7 0 4 49.75 3.04 1.8328 -5 0 1 2 49.78 3.46 1.8316 4 2 1 4 49.85 1.03 1.8293 4 4 0 4 50.06 9.97 1.8220 1 2 3 4 50.11 6.71 1.8203 -1 6 2 4 50.26 3.58 1.8155 -5 1 1 4 50.36 13.00 1.8121 2 6 1 4 50.51 2.09 1.8069 3 2 2 4 50.82 8.21 1.7967 0 6 2 4 51.45 11.06 1.7760 -3 6 1 4 51.63 2.50 1.7702 -4 4 2 4 51.76 11.13 1.7662 -5 2 1 4 51.84 1.36 1.7636 -4 1 3 4 51.92 2.48 1.7611 3 6 0 4 52.18 3.40 1.7529 0 4 3 4 52.29 8.17 1.7496 4 3 1 4 52.56 2.66 1.7413 1 3 3 4 52.95 5.86 1.7293 -4 5 1 4 52.99 2.20 1.7281 3 3 2 4 53.17 1.07 1.7226 -2 7 1 4 53.48 1.81 1.7135 2 5 2 4 53.74 2.51 1.7058 1 6 2 4 54.01 2.03 1.6979 5 2 0 4 54.10 5.57 1.6953 -3 4 3 4 54.20 2.88 1.6924 -5 3 1 4 54.63 2.12 1.6799 2 1 3 4 54.98 13.03 1.6702 -1 5 3 4 55.40 7.41 1.6583 -3 6 2 4 55.58 4.56 1.6534 0 8 0 2 55.70 4.27 1.6501 -4 3 3 4 55.91 13.51 1.6444 1 4 3 4 55.98 3.48 1.6428 -4 5 2 4 56.05 10.43 1.6407 2 2 3 4 56.33 3.60 1.6334 -5 3 2 4 56.50 3.58 1.6289 0 5 3 4 56.65 1.82 1.6248 1 8 0 4 56.73 2.66 1.6226 3 6 1 4 57.08 2.39 1.6134 -2 0 4 2 57.49 6.28 1.6030 -5 4 1 4 57.67 1.92 1.5986 -3 7 1 4 57.89 2.12 1.5930 -2 7 2 4 58.10 1.99 1.5877 3 7 0 4 58.14 3.76 1.5865 -4 6 1 4 58.64 1.22 1.5743 2 6 2 4 58.94 1.87 1.5670 -4 4 3 4 59.00 4.80 1.5655 5 1 1 4 59.79 4.97 1.5468 4 2 2 4 59.80 2.11 1.5465 4 5 1 4 60.05 2.88 1.5406 -1 6 3 4 60.36 1.21 1.5336 5 2 1 4 60.64 1.59 1.5271 -2 6 3 4 61.00 1.90 1.5189 -4 6 2 4 61.35 2.75 1.5111 -3 7 2 4 62.34 2.67 1.4895 -6 1 2 4 62.49 4.88 1.4863 -6 2 1 4 62.60 2.55 1.4839 3 7 1 4 62.74 5.02 1.4809 -4 0 4 2 63.18 2.63 1.4718 -4 1 4 4 63.22 2.10 1.4708 -3 6 3 4 63.40 4.28 1.4671 2 8 1 4 63.80 1.47 1.4589 0 8 2 4 64.23 1.72 1.4500 -2 4 4 4 64.31 3.53 1.4486 1 1 4 4 64.40 1.65 1.4467 2 7 2 4 64.66 3.92 1.4415 -6 3 1 4 65.06 7.13 1.4336 4 4 2 4 65.51 1.73 1.4249 -5 4 3 4 65.60 1.19 1.4232 1 2 4 4 65.60 4.88 1.4231 5 4 1 4 65.80 1.48 1.4193 -6 3 2 4 65.96 2.48 1.4163 -3 4 4 4 66.30 1.28 1.4098 -2 7 3 4 67.11 1.78 1.3947 0 7 3 4 67.17 4.28 1.3937 2 9 0 4 67.72 1.03 1.3837 1 3 4 4 68.07 1.46 1.3775 -2 5 4 4 68.22 1.28 1.3747 -5 6 2 4 68.90 1.55 1.3629 5 1 2 4 70.14 2.17 1.3417 5 2 2 4 70.39 2.71 1.3375 -1 9 2 4 71.69 1.89 1.3165 -2 9 2 4 72.47 1.33 1.3042 -6 5 2 4 72.87 2.84 1.2981 -4 8 2 4 73.16 1.64 1.2936 0 10 1 4 73.25 1.36 1.2922 -4 5 4 4 73.54 1.55 1.2878 -2 1 5 4 73.82 1.77 1.2837 6 3 1 4 74.75 1.26 1.2699 -2 2 5 4 75.96 1.70 1.2528 -6 1 4 4 76.23 1.39 1.2490 4 8 1 4 77.12 1.22 1.2367 -4 1 5 4 77.41 1.38 1.2328 7 2 0 4 79.02 2.12 1.2117 3 2 4 4 79.15 1.15 1.2101 -6 3 4 4 80.30 1.21 1.1956 -4 3 5 4 80.41 1.90 1.1942 -3 4 5 4 82.84 1.18 1.1652 -5 6 4 4 82.96 1.34 1.1639 1 2 5 4 83.83 1.75 1.1540 1 7 4 4 84.50 1.63 1.1466 -5 9 1 4 84.67 1.12 1.1448 -4 10 1 4 87.57 1.62 1.1141 0 10 3 4 87.84 1.94 1.1114 -7 3 4 4 88.05 1.01 1.1092 5 7 2 4 89.64 1.33 1.0937 1 12 0 4 89.85 1.08 1.0917 6 5 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.