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 GPa Locality: Baia Sprie mine, Romania _database_code_amcsd 0019366 CELL PARAMETERS: 9.3272 13.5660 6.5903 90.000 106.433 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 799.826 Density (g/cm3): 3.553 MAX. ABS. INTENSITY / VOLUME**2: 19.99060172 RIR: 1.832 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.85 7.99 7.4684 1 1 0 4 13.05 5.69 6.7830 0 2 0 2 14.69 41.73 6.0284 -1 0 1 2 15.47 44.53 5.7296 0 1 1 4 16.09 25.96 5.5089 -1 1 1 4 16.40 100.00 5.4051 1 2 0 4 19.19 9.98 4.6244 0 2 1 4 19.35 2.21 4.5870 1 0 1 2 19.70 1.17 4.5060 -1 2 1 4 20.91 4.51 4.2481 2 1 0 4 21.85 21.41 4.0680 -2 1 1 4 22.02 2.94 4.0357 1 3 0 4 23.41 3.86 3.7997 1 2 1 4 23.83 7.22 3.7342 2 2 0 4 24.20 5.08 3.6778 0 3 1 4 24.66 9.14 3.6101 -2 2 1 4 27.70 2.49 3.2203 1 3 1 4 27.93 1.11 3.1939 -1 1 2 4 28.06 30.66 3.1801 2 3 0 4 28.14 24.61 3.1713 1 4 0 4 28.24 41.78 3.1605 0 0 2 2 28.28 3.01 3.1552 2 1 1 4 28.78 1.61 3.1024 -2 3 1 4 29.01 6.52 3.0781 0 1 2 4 29.28 32.51 3.0505 -3 0 1 2 29.90 19.94 2.9885 0 4 1 4 30.03 6.67 2.9762 -3 1 1 4 30.22 22.89 2.9575 -1 2 2 4 30.38 15.04 2.9424 -2 1 2 4 30.55 50.16 2.9266 2 2 1 4 30.70 1.56 2.9125 3 1 0 4 31.22 8.65 2.8648 0 2 2 4 32.17 10.94 2.7821 -3 2 1 4 32.51 1.44 2.7545 -2 2 2 4 32.81 11.92 2.7299 3 2 0 4 32.84 40.86 2.7270 1 4 1 4 33.15 9.52 2.7025 2 4 0 4 33.29 13.89 2.6914 1 1 2 4 33.77 5.86 2.6543 -2 4 1 4 34.54 16.47 2.5964 1 5 0 4 34.63 2.11 2.5905 0 3 2 4 35.50 2.12 2.5289 -3 3 1 4 35.68 12.24 2.5161 -3 1 2 4 35.80 1.71 2.5081 -2 3 2 4 36.08 13.30 2.4895 3 3 0 4 36.31 15.44 2.4742 -1 5 1 4 36.78 9.42 2.4434 3 0 1 2 37.40 4.38 2.4047 3 1 1 4 37.55 8.81 2.3955 -3 2 2 4 38.13 6.61 2.3601 -1 4 2 4 38.40 1.65 2.3443 2 4 1 4 39.19 2.58 2.2988 3 2 1 4 39.28 1.31 2.2935 2 0 2 2 39.87 13.21 2.2610 0 6 0 2 40.27 4.98 2.2395 3 4 0 4 40.33 1.89 2.2365 4 0 0 2 40.49 10.88 2.2281 -3 3 2 4 40.89 2.07 2.2068 4 1 0 4 41.03 1.93 2.1998 -4 2 1 4 41.14 11.86 2.1941 -1 0 3 2 41.18 9.39 2.1921 1 6 0 4 41.57 3.01 2.1727 2 2 2 4 41.70 6.64 2.1659 -1 1 3 4 42.39 9.61 2.1321 -4 0 2 2 42.46 11.20 2.1290 -2 1 3 4 42.56 4.76 2.1241 4 2 0 4 42.71 4.06 2.1170 -1 6 1 4 42.94 3.99 2.1062 -4 1 2 4 43.46 2.84 2.0821 0 1 3 4 44.08 4.68 2.0544 -2 2 3 4 44.33 1.76 2.0435 -3 4 2 4 44.55 4.10 2.0340 -4 2 2 4 44.92 2.55 2.0179 2 6 0 4 45.12 1.96 2.0095 -3 0 3 2 45.18 2.03 2.0069 3 5 0 4 45.40 1.00 1.9976 -2 6 1 4 45.64 1.23 1.9878 -3 1 3 4 45.77 4.37 1.9825 3 4 1 4 45.98 2.11 1.9740 -1 3 3 4 47.09 3.07 1.9300 1 5 2 4 47.52 1.42 1.9132 1 1 3 4 48.76 1.96 1.8676 4 2 1 4 48.82 1.83 1.8654 -5 0 1 2 48.90 4.72 1.8627 -1 6 2 4 49.01 8.30 1.8586 1 2 3 4 49.11 11.94 1.8549 2 6 1 4 49.17 1.01 1.8529 0 7 1 4 49.31 2.69 1.8480 -5 1 1 4 49.45 1.39 1.8433 3 2 2 4 49.57 7.11 1.8389 0 6 2 4 50.23 10.35 1.8164 -3 6 1 4 50.57 1.68 1.8050 -4 4 2 4 50.67 1.77 1.8017 3 6 0 4 50.76 9.91 1.7987 -5 2 1 4 50.88 1.34 1.7945 -4 1 3 4 51.03 2.85 1.7898 0 4 3 4 51.18 6.20 1.7850 4 3 1 4 51.42 2.28 1.7771 1 3 3 4 51.78 4.56 1.7657 -4 5 1 4 51.82 1.21 1.7643 -2 7 1 4 51.84 1.71 1.7637 3 3 2 4 52.22 1.55 1.7516 2 5 2 4 52.42 1.79 1.7455 1 6 2 4 52.92 1.74 1.7301 5 2 0 4 52.97 4.70 1.7288 -3 4 3 4 53.11 2.22 1.7245 -5 3 1 4 53.48 1.55 1.7132 2 1 3 4 53.73 11.44 1.7061 -1 5 3 4 54.08 4.20 1.6957 0 8 0 2 54.11 5.96 1.6948 -3 6 2 4 54.60 4.16 1.6807 -4 3 3 4 54.66 11.82 1.6791 1 4 3 4 54.76 3.03 1.6764 -4 5 2 4 54.85 8.81 1.6737 2 2 3 4 55.12 1.27 1.6661 1 8 0 4 55.19 2.88 1.6642 0 5 3 4 55.21 2.87 1.6636 -5 3 2 4 55.36 2.73 1.6595 3 6 1 4 55.96 2.26 1.6432 -2 0 4 2 56.23 2.17 1.6358 -3 7 1 4 56.28 5.75 1.6345 -5 4 1 4 56.45 1.37 1.6301 -2 7 2 4 56.64 1.52 1.6250 3 7 0 4 56.79 3.04 1.6211 -4 6 1 4 57.21 1.29 1.6101 2 6 2 4 57.72 1.39 1.5971 -4 4 3 4 57.79 3.79 1.5955 5 1 1 4 58.43 1.56 1.5796 4 5 1 4 58.51 4.67 1.5776 4 2 2 4 58.63 2.79 1.5746 -1 6 3 4 59.09 1.62 1.5634 5 2 1 4 59.22 1.46 1.5602 -2 6 3 4 59.60 1.86 1.5512 -4 6 2 4 59.85 2.44 1.5453 -3 7 2 4 61.02 1.79 1.5184 3 7 1 4 61.14 2.25 1.5157 -6 1 2 4 61.24 4.33 1.5135 -6 2 1 4 61.53 3.92 1.5071 -4 0 4 2 61.72 3.83 1.5028 2 8 1 4 61.76 1.96 1.5020 -3 6 3 4 61.95 2.37 1.4979 -4 1 4 4 62.12 1.79 1.4943 0 8 2 4 62.77 1.27 1.4803 2 7 2 4 62.84 1.10 1.4787 -2 4 4 4 62.93 2.84 1.4770 1 1 4 4 63.33 3.79 1.4685 -6 3 1 4 63.58 6.31 1.4633 4 4 2 4 64.14 4.16 1.4519 5 4 1 4 64.15 1.45 1.4518 -5 4 3 4 64.17 1.00 1.4514 1 2 4 4 64.47 1.36 1.4452 -6 3 2 4 64.55 1.76 1.4437 -3 4 4 4 64.68 1.37 1.4412 -2 7 3 4 65.33 3.86 1.4284 2 9 0 4 65.43 1.79 1.4264 0 7 3 4 66.20 1.28 1.4116 1 3 4 4 66.53 1.55 1.4055 -2 5 4 4 66.66 1.20 1.4030 -5 6 2 4 67.20 1.10 1.3931 3 8 1 4 68.48 2.33 1.3701 -1 9 2 4 68.59 2.45 1.3681 5 2 2 4 69.76 1.25 1.3482 -2 9 2 4 70.88 1.16 1.3296 -6 5 2 4 71.02 2.70 1.3272 -4 8 2 4 71.07 1.21 1.3264 0 10 1 4 71.63 1.11 1.3175 -4 5 4 4 72.17 1.75 1.3088 6 3 1 4 74.44 1.24 1.2746 -6 1 4 4 75.52 1.14 1.2590 -4 1 5 4 77.18 1.37 1.2359 3 2 4 4 78.60 1.62 1.2172 -3 4 5 4 81.02 1.27 1.1868 1 2 5 4 81.66 1.40 1.1792 1 7 4 4 82.23 1.22 1.1724 -5 9 1 4 85.04 1.22 1.1406 0 10 3 4 85.92 1.73 1.1312 -7 3 4 4 86.84 1.04 1.1216 1 12 0 4 88.81 1.51 1.1018 -5 5 5 4 88.86 1.08 1.1012 2 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.