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 = 3.53 GPa Locality: Baia Sprie mine, Romania _database_code_amcsd 0019371 CELL PARAMETERS: 8.8730 12.7890 6.2510 90.000 107.000 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 678.349 Density (g/cm3): 4.190 MAX. ABS. INTENSITY / VOLUME**2: 15.47226200 RIR: 1.202 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.52 11.24 7.0706 1 1 0 4 13.85 5.81 6.3945 0 2 0 2 15.44 52.95 5.7406 -1 0 1 2 16.37 42.97 5.4155 0 1 1 4 16.93 28.81 5.2372 -1 1 1 4 17.37 100.00 5.1068 1 2 0 4 20.34 7.25 4.3669 0 2 1 4 20.79 1.73 4.2718 -1 2 1 4 20.94 2.27 4.2426 2 0 0 2 22.07 9.86 4.0268 2 1 0 4 22.95 27.81 3.8750 -2 1 1 4 23.35 6.89 3.8093 1 3 0 4 24.84 6.31 3.5839 1 2 1 4 25.19 7.36 3.5353 2 2 0 4 25.67 5.39 3.4708 0 3 1 4 25.97 15.90 3.4312 -2 2 1 4 27.91 1.08 3.1972 0 4 0 2 29.41 5.81 3.0369 1 3 1 4 29.47 2.22 3.0305 -1 1 2 4 29.71 59.02 3.0072 2 3 0 4 29.86 40.26 2.9919 1 4 0 4 29.89 66.08 2.9889 0 0 2 2 30.00 6.05 2.9787 2 1 1 4 30.72 12.45 2.9105 0 1 2 4 30.77 56.57 2.9062 -3 0 1 2 31.57 9.36 2.8339 -3 1 1 4 31.74 35.91 2.8193 0 4 1 4 31.92 40.92 2.8036 -1 2 2 4 31.96 25.41 2.8006 -2 1 2 4 32.41 81.09 2.7624 2 2 1 4 32.42 4.34 2.7617 3 1 0 4 33.08 16.40 2.7077 0 2 2 4 33.88 20.89 2.6458 -3 2 1 4 34.24 1.93 2.6186 -2 2 2 4 34.68 14.81 2.5867 3 2 0 4 34.89 64.44 2.5715 1 4 1 4 35.15 15.32 2.5534 2 4 0 4 35.34 22.75 2.5400 1 1 2 4 35.72 14.43 2.5133 -2 4 1 4 36.70 28.96 2.4490 1 5 0 4 36.72 8.08 2.4473 0 3 2 4 37.44 3.70 2.4019 1 2 2 4 37.45 6.97 2.4013 -3 3 1 4 37.50 19.25 2.3981 -3 1 2 4 37.78 3.80 2.3809 -2 3 2 4 38.19 17.35 2.3569 3 3 0 4 38.27 1.42 2.3516 0 5 1 4 38.53 24.14 2.3364 -1 5 1 4 39.01 9.71 2.3090 3 0 1 2 39.51 17.40 2.2808 -3 2 2 4 39.67 8.91 2.2722 3 1 1 4 40.40 13.44 2.2328 -1 4 2 4 40.80 4.46 2.2118 2 4 1 4 41.21 1.79 2.1905 2 5 0 4 41.35 2.48 2.1834 0 4 2 4 41.58 6.55 2.1717 3 2 1 4 41.75 3.63 2.1637 2 0 2 2 42.41 12.18 2.1315 0 6 0 2 42.62 1.51 2.1213 4 0 0 2 42.68 14.76 2.1186 -3 3 2 4 42.68 8.32 2.1185 3 4 0 4 43.23 1.55 2.0927 4 1 0 4 43.25 7.63 2.0917 -4 2 1 4 43.51 15.77 2.0799 -1 0 3 2 43.79 19.65 2.0673 1 6 0 4 44.11 9.46 2.0529 -1 1 3 4 44.19 4.11 2.0495 2 2 2 4 44.57 15.07 2.0331 -4 0 2 2 44.63 1.33 2.0303 3 3 1 4 44.80 18.79 2.0230 -2 1 3 4 45.03 8.62 2.0134 4 2 0 4 45.16 4.19 2.0079 -4 1 2 4 45.16 2.60 2.0077 0 6 1 4 45.39 4.97 1.9982 -1 6 1 4 46.10 2.88 1.9689 0 1 3 4 46.21 2.12 1.9645 -4 3 1 4 46.55 8.14 1.9511 -2 2 3 4 46.82 6.39 1.9404 -3 4 2 4 46.89 5.08 1.9375 -4 2 2 4 47.10 1.66 1.9294 2 3 2 4 47.52 7.42 1.9135 -3 0 3 2 47.75 6.14 1.9046 2 6 0 4 47.81 1.92 1.9024 0 2 3 4 48.08 1.38 1.8925 -3 1 3 4 48.20 2.67 1.8878 -2 6 1 4 48.64 3.39 1.8719 3 4 1 4 48.71 2.17 1.8693 -1 3 3 4 49.35 1.19 1.8466 -2 3 3 4 49.98 3.06 1.8247 1 0 3 2 50.11 6.66 1.8205 1 5 2 4 50.52 1.58 1.8064 1 1 3 4 51.14 2.21 1.7861 1 7 0 4 51.50 6.70 1.7745 -5 0 1 2 51.71 1.35 1.7676 4 4 0 4 51.78 8.74 1.7656 4 2 1 4 51.96 11.32 1.7599 -1 6 2 4 52.03 5.10 1.7577 -5 1 1 4 52.12 12.75 1.7547 1 2 3 4 52.29 17.41 1.7495 2 6 1 4 52.49 1.68 1.7435 -1 4 3 4 52.62 4.56 1.7393 3 2 2 4 52.75 9.87 1.7354 0 6 2 4 53.30 13.17 1.7188 -3 6 1 4 53.41 3.64 1.7156 -4 4 2 4 53.55 1.25 1.7113 -2 6 2 4 53.58 2.00 1.7103 -4 1 3 4 53.60 12.79 1.7099 -5 2 1 4 53.86 4.81 1.7023 3 6 0 4 54.24 4.90 1.6911 0 4 3 4 54.38 14.35 1.6871 4 3 1 4 54.72 3.90 1.6775 1 3 3 4 54.85 9.60 1.6738 -4 5 1 4 55.11 1.02 1.6665 -2 7 1 4 55.20 2.99 1.6641 3 3 2 4 55.64 1.76 1.6519 2 5 2 4 55.85 4.27 1.6462 1 6 2 4 56.01 7.97 1.6419 -3 4 3 4 56.07 2.39 1.6403 5 2 0 4 56.14 4.63 1.6383 -5 3 1 4 56.97 3.00 1.6165 2 1 3 4 57.07 15.86 1.6137 -1 5 3 4 57.39 12.19 1.6057 -3 6 2 4 57.62 4.58 1.5997 -4 3 3 4 57.65 1.06 1.5990 -2 5 3 4 57.66 5.29 1.5986 0 8 0 2 57.94 4.62 1.5915 -4 5 2 4 58.21 18.83 1.5848 1 4 3 4 58.27 5.67 1.5833 -5 3 2 4 58.44 12.86 1.5791 2 2 3 4 58.54 2.02 1.5767 5 3 0 4 58.74 5.63 1.5719 0 5 3 4 58.78 3.36 1.5710 1 8 0 4 58.97 2.59 1.5662 3 6 1 4 59.24 2.55 1.5597 -2 0 4 2 59.59 8.03 1.5516 -5 4 1 4 59.79 1.66 1.5467 -3 7 1 4 60.02 4.29 1.5413 -2 7 2 4 60.28 5.24 1.5354 -4 6 1 4 60.31 2.97 1.5347 3 7 0 4 60.45 1.44 1.5314 4 0 2 2 60.95 1.72 1.5200 5 0 1 2 61.01 3.47 1.5187 -4 4 3 4 61.02 1.51 1.5185 2 6 2 4 61.43 7.01 1.5093 5 1 1 4 62.22 3.58 1.4921 4 5 1 4 62.35 6.44 1.4893 4 2 2 4 62.38 3.80 1.4886 -1 6 3 4 62.92 1.73 1.4771 -2 6 3 4 62.96 1.07 1.4762 -3 2 4 4 63.20 1.64 1.4712 -4 6 2 4 63.61 3.85 1.4628 -3 7 2 4 63.98 1.21 1.4553 0 2 4 4 64.14 1.00 1.4519 2 4 3 4 64.55 3.12 1.4438 -6 1 2 4 64.81 5.35 1.4385 -6 2 1 4 64.98 7.76 1.4352 -4 0 4 2 65.11 4.08 1.4327 3 7 1 4 65.44 3.18 1.4262 -4 1 4 4 65.56 2.65 1.4239 -3 6 3 4 65.82 1.09 1.4189 -5 5 2 4 65.91 5.48 1.4172 2 8 1 4 66.31 1.25 1.4097 0 8 2 4 66.73 3.34 1.4018 -2 4 4 4 66.74 1.95 1.4015 1 9 0 4 67.05 3.00 1.3959 2 7 2 4 67.09 3.46 1.3950 -6 3 1 4 67.09 5.48 1.3950 1 1 4 4 67.84 2.57 1.3815 -5 4 3 4 67.86 8.30 1.3812 4 4 2 4 68.18 2.08 1.3754 -6 3 2 4 68.33 5.99 1.3727 5 4 1 4 68.34 1.66 1.3726 -1 7 3 4 68.44 1.69 1.3708 1 2 4 4 68.45 4.35 1.3707 -3 4 4 4 68.86 1.12 1.3636 -2 7 3 4 69.03 1.58 1.3606 1 8 2 4 69.80 5.23 1.3474 2 9 0 4 69.85 1.74 1.3466 0 7 3 4 70.75 1.66 1.3316 -2 5 4 4 70.75 1.17 1.3316 -5 6 2 4 71.10 1.23 1.3259 -6 2 3 4 71.85 1.08 1.3139 4 5 2 4 71.94 2.93 1.3124 5 1 2 4 73.00 1.25 1.2960 -4 8 1 4 73.19 4.11 1.2931 -1 9 2 4 73.25 1.36 1.2922 5 2 2 4 73.37 2.02 1.2904 0 5 4 4 74.14 1.04 1.2789 0 10 0 2 74.51 3.27 1.2735 -2 9 2 4 75.20 2.43 1.2634 -6 5 2 4 75.68 3.64 1.2567 -4 8 2 4 75.94 1.04 1.2531 4 2 3 4 76.04 2.20 1.2516 -4 5 4 4 76.11 3.04 1.2506 0 10 1 4 76.38 1.05 1.2469 0 8 3 4 76.58 3.02 1.2442 -2 1 5 4 77.01 1.43 1.2383 6 3 1 4 77.17 1.41 1.2361 -3 6 4 4 77.86 2.73 1.2269 -2 2 5 4 78.75 3.31 1.2152 -6 1 4 4 78.87 1.79 1.2136 -6 6 1 4 79.14 1.91 1.2102 3 9 1 4 79.47 2.68 1.2059 4 8 1 4 80.15 1.50 1.1975 -4 1 5 4 80.68 2.77 1.1910 7 2 0 4 81.52 1.18 1.1808 -5 5 4 4 82.13 1.50 1.1736 -6 3 4 4 82.19 1.09 1.1728 -4 8 3 4 82.78 4.52 1.1660 3 2 4 4 82.78 1.07 1.1660 7 3 0 4 82.98 1.09 1.1636 5 8 0 4 83.52 1.76 1.1576 -4 3 5 4 83.74 2.90 1.1551 -3 4 5 4 83.79 1.40 1.1545 6 0 2 2 85.02 1.11 1.1408 -3 9 3 4 85.83 1.46 1.1321 3 7 3 4 86.13 1.72 1.1290 -5 6 4 4 86.61 1.37 1.1240 4 9 1 4 86.72 1.22 1.1228 1 11 1 4 86.87 1.03 1.1213 2 11 0 4 86.88 2.08 1.1211 1 2 5 4 87.65 1.15 1.1133 -1 8 4 4 87.69 2.42 1.1129 1 7 4 4 87.78 1.11 1.1120 -1 5 5 4 87.98 1.37 1.1100 -7 1 4 4 88.06 2.41 1.1092 -5 9 1 4 88.24 1.82 1.1074 -4 10 1 4 88.36 1.36 1.1062 6 6 1 4 88.82 1.13 1.1017 -6 5 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.