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 = 5.40 GPa Locality: Baia Sprie mine, Romania _database_code_amcsd 0019373 CELL PARAMETERS: 8.7190 12.6340 6.1490 90.000 107.100 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 647.405 Density (g/cm3): 4.390 MAX. ABS. INTENSITY / VOLUME**2: 14.38564068 RIR: 1.067 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.73 11.57 6.9565 1 1 0 4 14.02 4.84 6.3170 0 2 0 2 15.69 52.16 5.6484 -1 0 1 2 16.64 39.76 5.3288 0 1 1 4 17.20 29.60 5.1566 -1 1 1 4 17.62 100.00 5.0342 1 2 0 4 20.64 6.59 4.3029 0 2 1 4 21.10 1.69 4.2106 -1 2 1 4 21.32 4.59 4.1668 2 0 0 2 22.47 13.80 3.9571 2 1 0 4 23.33 29.56 3.8125 -2 1 1 4 23.67 8.65 3.7587 1 3 0 4 25.26 6.28 3.5264 1 2 1 4 25.61 7.77 3.4783 2 2 0 4 26.03 5.76 3.4232 0 3 1 4 26.38 17.58 3.3788 -2 2 1 4 28.25 1.59 3.1585 0 4 0 2 29.87 7.27 2.9915 1 3 1 4 29.96 2.63 2.9820 -1 1 2 4 30.17 70.07 2.9620 2 3 0 4 30.26 50.07 2.9535 1 4 0 4 30.42 76.58 2.9386 0 0 2 2 30.56 7.48 2.9257 2 1 1 4 31.25 14.00 2.8622 0 1 2 4 31.31 67.04 2.8569 -3 0 1 2 32.12 11.19 2.7865 -3 1 1 4 32.17 44.11 2.7822 0 4 1 4 32.44 48.46 2.7603 -1 2 2 4 32.49 30.12 2.7562 -2 1 2 4 32.99 90.35 2.7154 2 2 1 4 33.02 6.12 2.7130 3 1 0 4 33.64 18.61 2.6644 0 2 2 4 34.45 24.89 2.6031 -3 2 1 4 34.80 2.28 2.5783 -2 2 2 4 35.30 15.12 2.5429 3 2 0 4 35.41 73.31 2.5351 1 4 1 4 35.67 16.46 2.5171 2 4 0 4 35.98 27.10 2.4962 1 1 2 4 36.24 19.75 2.4786 -2 4 1 4 37.18 34.03 2.4181 1 5 0 4 37.31 11.76 2.4099 0 3 2 4 38.06 10.19 2.3642 -3 3 1 4 38.10 4.82 2.3618 1 2 2 4 38.14 22.59 2.3595 -3 1 2 4 38.38 5.11 2.3456 -2 3 2 4 38.79 2.23 2.3213 0 5 1 4 38.84 19.42 2.3188 3 3 0 4 39.05 28.43 2.3065 -1 5 1 4 39.76 9.65 2.2671 3 0 1 2 40.17 20.36 2.2450 -3 2 2 4 40.42 11.12 2.2314 3 1 1 4 41.01 17.06 2.2010 -1 4 2 4 41.44 1.58 2.1791 1 3 2 4 41.46 6.39 2.1780 2 4 1 4 41.58 1.30 2.1720 1 5 1 4 41.81 2.44 2.1606 2 5 0 4 41.99 4.00 2.1514 0 4 2 4 42.36 9.02 2.1338 3 2 1 4 42.54 4.31 2.1251 2 0 2 2 42.95 12.03 2.1057 0 6 0 2 43.37 17.80 2.0863 -3 3 2 4 43.38 9.58 2.0859 3 4 0 4 43.44 1.17 2.0834 4 0 0 2 44.02 11.11 2.0569 -4 2 1 4 44.05 1.72 2.0556 4 1 0 4 44.28 16.55 2.0458 -1 0 3 2 44.37 24.49 2.0415 1 6 0 4 44.88 11.03 2.0195 -1 1 3 4 45.01 4.28 2.0142 2 2 2 4 45.36 16.95 1.9995 -4 0 2 2 45.44 2.35 1.9962 3 3 1 4 45.57 23.19 1.9906 -2 1 3 4 45.77 2.86 1.9823 0 6 1 4 45.86 9.48 1.9786 4 2 0 4 45.95 4.22 1.9749 -4 1 2 4 46.00 5.47 1.9730 -1 6 1 4 46.93 3.17 1.9359 0 1 3 4 47.01 3.21 1.9328 -4 3 1 4 47.34 9.49 1.9203 -2 2 3 4 47.56 9.12 1.9118 -3 4 2 4 47.71 4.75 1.9063 -4 2 2 4 47.95 2.42 1.8972 2 3 2 4 48.07 1.06 1.8927 -3 5 1 4 48.34 10.31 1.8828 -3 0 3 2 48.44 7.61 1.8793 2 6 0 4 48.66 3.28 1.8711 0 2 3 4 48.88 3.93 1.8632 -2 6 1 4 48.91 1.36 1.8622 -3 1 3 4 49.49 3.29 1.8418 3 4 1 4 49.54 1.89 1.8401 -1 3 3 4 50.18 1.35 1.8182 -2 3 3 4 50.91 8.54 1.7936 1 5 2 4 50.92 4.83 1.7932 1 0 3 2 51.47 1.87 1.7754 1 1 3 4 51.83 3.60 1.7640 1 7 0 4 52.48 9.24 1.7437 -5 0 1 2 52.63 1.34 1.7391 4 4 0 4 52.72 14.34 1.7362 -1 6 2 4 52.78 12.38 1.7344 4 2 1 4 53.01 6.26 1.7273 -5 1 1 4 53.09 13.98 1.7251 1 2 3 4 53.09 20.98 1.7249 2 6 1 4 53.30 1.12 1.7189 -3 3 3 4 53.36 2.07 1.7171 -1 4 3 4 53.54 10.88 1.7116 0 6 2 4 53.64 6.31 1.7087 3 2 2 4 54.11 13.49 1.6950 -3 6 1 4 54.30 4.64 1.6894 -4 4 2 4 54.35 1.73 1.6881 -2 6 2 4 54.53 2.05 1.6828 -4 1 3 4 54.60 13.58 1.6808 -5 2 1 4 54.70 6.19 1.6781 3 6 0 4 55.17 5.74 1.6648 0 4 3 4 55.30 1.05 1.6613 1 7 1 4 55.41 19.02 1.6580 4 3 1 4 55.71 4.85 1.6499 1 3 3 4 55.76 11.83 1.6486 -4 5 1 4 55.89 1.03 1.6451 -2 7 1 4 56.24 3.66 1.6356 3 3 2 4 56.59 2.29 1.6264 2 5 2 4 56.73 5.74 1.6227 1 6 2 4 56.94 9.60 1.6173 -3 4 3 4 57.16 2.33 1.6116 5 2 0 4 57.18 5.82 1.6111 -5 3 1 4 57.32 1.06 1.6075 4 5 0 4 58.01 19.15 1.5900 -1 5 3 4 58.08 3.74 1.5882 2 1 3 4 58.27 14.89 1.5833 -3 6 2 4 58.44 5.15 1.5792 0 8 0 2 58.58 1.39 1.5758 -2 5 3 4 58.62 5.07 1.5748 -4 3 3 4 58.90 5.96 1.5679 -4 5 2 4 59.26 21.91 1.5594 1 4 3 4 59.33 6.85 1.5578 -5 3 2 4 59.57 14.81 1.5518 2 2 3 4 59.58 4.34 1.5516 1 8 0 4 59.66 2.49 1.5498 5 3 0 4 59.73 7.05 1.5482 0 5 3 4 59.96 2.61 1.5428 3 6 1 4 60.32 2.86 1.5344 -2 0 4 2 60.66 8.98 1.5265 -5 4 1 4 60.69 1.66 1.5259 -3 7 1 4 60.92 5.70 1.5208 -2 7 2 4 61.24 3.62 1.5135 3 7 0 4 61.27 6.50 1.5130 -4 6 1 4 61.68 1.98 1.5037 4 0 2 2 62.05 1.67 1.4958 2 6 2 4 62.06 4.37 1.4955 -4 4 3 4 62.20 2.45 1.4924 5 0 1 2 62.68 8.47 1.4821 5 1 1 4 62.77 1.06 1.4804 1 8 1 4 63.07 1.11 1.4741 5 4 0 4 63.35 4.24 1.4681 4 5 1 4 63.39 3.87 1.4673 -1 6 3 4 63.61 7.55 1.4628 4 2 2 4 63.94 1.75 1.4561 -2 6 3 4 64.10 1.28 1.4528 -3 2 4 4 64.24 1.37 1.4499 -4 6 2 4 64.59 4.67 1.4429 -3 7 2 4 65.19 1.21 1.4311 0 2 4 4 65.35 1.25 1.4279 2 4 3 4 65.79 3.45 1.4194 -6 1 2 4 65.83 1.39 1.4187 -5 3 3 4 66.09 5.75 1.4137 -6 2 1 4 66.18 9.08 1.4121 -4 0 4 2 66.18 4.92 1.4120 3 7 1 4 66.45 1.11 1.4070 -3 3 4 4 66.46 1.18 1.4067 5 3 1 4 66.63 2.59 1.4035 -3 6 3 4 66.64 3.67 1.4034 -4 1 4 4 66.92 6.48 1.3982 2 8 1 4 66.98 1.15 1.3971 -5 5 2 4 67.19 1.90 1.3933 -6 2 2 4 67.42 1.55 1.3890 -4 7 1 4 67.68 2.91 1.3843 1 9 0 4 67.92 4.35 1.3801 -2 4 4 4 68.17 3.95 1.3757 2 7 2 4 68.40 3.12 1.3715 -6 3 1 4 68.42 7.02 1.3711 1 1 4 4 69.06 3.11 1.3600 -5 4 3 4 69.20 8.17 1.3577 4 4 2 4 69.45 2.46 1.3534 -1 7 3 4 69.49 2.31 1.3527 -6 3 2 4 69.67 5.98 1.3497 -3 4 4 4 69.68 6.69 1.3494 5 4 1 4 69.79 1.74 1.3475 1 2 4 4 69.97 1.06 1.3446 -2 7 3 4 70.12 1.87 1.3421 1 8 2 4 70.67 1.30 1.3330 1 9 1 4 70.83 6.34 1.3303 2 9 0 4 71.01 2.21 1.3274 0 7 3 4 71.19 1.45 1.3245 -2 9 1 4 71.99 1.03 1.3116 -5 6 2 4 72.00 1.68 1.3115 -2 5 4 4 72.47 1.56 1.3043 -6 2 3 4 73.25 1.54 1.2922 4 5 2 4 73.48 3.64 1.2887 5 1 2 4 74.20 1.87 1.2780 -4 8 1 4 74.30 5.26 1.2766 -1 9 2 4 74.65 1.92 1.2714 6 4 0 4 74.74 3.19 1.2702 0 5 4 4 75.15 1.18 1.2643 6 1 1 4 75.21 1.92 1.2634 0 10 0 2 75.65 4.64 1.2571 -2 9 2 4 75.87 1.18 1.2540 -5 7 1 4 76.63 3.25 1.2435 -6 5 2 4 76.65 1.03 1.2432 -2 8 3 4 76.93 4.31 1.2393 -4 8 2 4 77.24 4.02 1.2352 0 10 1 4 77.33 1.12 1.2340 -7 1 1 4 77.42 3.06 1.2327 -4 5 4 4 77.56 1.31 1.2308 4 2 3 4 77.66 1.45 1.2295 0 8 3 4 78.08 4.61 1.2239 -2 1 5 4 78.55 1.94 1.2178 -3 6 4 4 78.65 1.25 1.2165 6 3 1 4 78.83 1.18 1.2142 -7 2 2 4 79.39 3.71 1.2070 -2 2 5 4 79.74 1.24 1.2026 4 3 3 4 80.31 5.03 1.1955 -6 1 4 4 80.39 2.69 1.1945 -6 6 1 4 80.47 3.43 1.1935 3 9 1 4 80.80 1.17 1.1894 -7 3 1 4 80.91 3.45 1.1882 4 8 1 4 81.15 1.70 1.1852 1 8 3 4 81.60 1.06 1.1798 3 8 2 4 81.73 1.72 1.1783 -4 1 5 4 81.97 1.03 1.1755 3 6 3 4 82.44 3.81 1.1699 7 2 0 4 83.06 1.38 1.1627 -5 5 4 4 83.62 1.70 1.1564 -4 8 3 4 83.69 1.70 1.1556 0 2 5 4 83.70 1.25 1.1555 -3 10 1 4 83.76 1.72 1.1549 -6 3 4 4 84.18 1.69 1.1501 5 7 1 4 84.59 1.81 1.1456 7 3 0 4 84.59 6.62 1.1456 3 2 4 4 85.17 2.27 1.1393 -4 3 5 4 85.38 1.21 1.1370 2 5 4 4 85.38 3.29 1.1370 -3 4 5 4 85.70 1.94 1.1335 6 0 2 2 86.30 1.28 1.1272 0 11 1 4 86.39 1.42 1.1263 -6 6 3 4 86.47 1.23 1.1254 -3 9 3 4 87.54 1.80 1.1144 3 7 3 4 87.77 2.17 1.1121 -5 6 4 4 88.10 1.40 1.1088 1 11 1 4 88.20 2.16 1.1078 4 9 1 4 88.25 1.20 1.1073 2 11 0 4 88.77 2.60 1.1021 1 2 5 4 88.91 1.00 1.1007 6 7 0 4 89.27 1.68 1.0973 -1 8 4 4 89.41 2.86 1.0959 1 7 4 4 89.55 1.01 1.0946 6 3 2 4 89.55 1.85 1.0945 -1 5 5 4 89.66 1.50 1.0935 -5 -9 1 4 89.76 1.16 1.0925 -4 -10 1 4 89.83 1.77 1.0918 -7 1 4 4 89.91 1.03 1.0911 -5 3 5 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.