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 = 3.97 GPa Locality: Baia Sprie mine, Romania _database_code_amcsd 0019372 CELL PARAMETERS: 8.8270 12.6830 6.2130 90.000 106.950 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 665.347 Density (g/cm3): 4.272 MAX. ABS. INTENSITY / VOLUME**2: 14.84817460 RIR: 1.132 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.59 11.67 7.0285 1 1 0 4 13.97 5.23 6.3415 0 2 0 2 15.53 53.38 5.7055 -1 0 1 2 16.47 41.43 5.3816 0 1 1 4 17.04 28.62 5.2033 -1 1 1 4 17.49 100.00 5.0707 1 2 0 4 20.48 7.05 4.3364 0 2 1 4 20.94 1.88 4.2415 -1 2 1 4 21.04 2.72 4.2218 2 0 0 2 22.19 11.58 4.0057 2 1 0 4 23.09 29.57 3.8520 -2 1 1 4 23.53 7.84 3.7803 1 3 0 4 25.00 6.62 3.5618 1 2 1 4 25.34 7.63 3.5142 2 2 0 4 25.86 5.27 3.4450 0 3 1 4 26.14 16.85 3.4091 -2 2 1 4 28.14 1.29 3.1707 0 4 0 2 29.62 5.96 3.0164 1 3 1 4 29.66 2.55 3.0117 -1 1 2 4 29.91 64.54 2.9873 2 3 0 4 30.07 70.01 2.9716 0 0 2 2 30.11 44.43 2.9684 1 4 0 4 30.16 6.77 2.9634 2 1 1 4 30.91 12.86 2.8932 0 1 2 4 30.94 60.86 2.8905 -3 0 1 2 31.75 10.04 2.8182 -3 1 1 4 31.99 38.73 2.7975 0 4 1 4 32.14 44.30 2.7853 -1 2 2 4 32.16 27.85 2.7832 -2 1 2 4 32.59 4.96 2.7477 3 1 0 4 32.60 84.64 2.7470 2 2 1 4 33.30 16.47 2.6908 0 2 2 4 34.09 21.72 2.6301 -3 2 1 4 34.47 2.06 2.6016 -2 2 2 4 34.88 14.62 2.5725 3 2 0 4 35.15 67.38 2.5530 1 4 1 4 35.40 15.91 2.5353 2 4 0 4 35.54 24.67 2.5259 1 1 2 4 36.00 16.11 2.4950 -2 4 1 4 36.98 9.66 2.4311 0 3 2 4 37.00 29.62 2.4293 1 5 0 4 37.67 3.77 2.3879 1 2 2 4 37.70 7.97 2.3861 -3 3 1 4 37.74 21.32 2.3837 -3 1 2 4 38.05 4.14 2.3647 -2 3 2 4 38.42 17.77 2.3428 3 3 0 4 38.59 1.75 2.3330 0 5 1 4 38.85 25.79 2.3179 -1 5 1 4 39.21 9.19 2.2977 3 0 1 2 39.77 18.18 2.2667 -3 2 2 4 39.87 9.79 2.2609 3 1 1 4 40.70 14.56 2.2167 -1 4 2 4 41.01 1.16 2.2008 1 3 2 4 41.08 5.24 2.1973 2 4 1 4 41.53 1.97 2.1743 2 5 0 4 41.66 3.32 2.1682 0 4 2 4 41.81 7.29 2.1603 3 2 1 4 41.97 4.10 2.1525 2 0 2 2 42.78 11.63 2.1138 0 6 0 2 42.84 1.27 2.1109 4 0 0 2 42.97 8.24 2.1049 3 4 0 4 42.97 15.91 2.1048 -3 3 2 4 43.46 1.48 2.0822 4 1 0 4 43.51 8.96 2.0801 -4 2 1 4 43.79 15.93 2.0673 -1 0 3 2 44.17 20.98 2.0506 1 6 0 4 44.40 9.98 2.0404 -1 1 3 4 44.45 4.08 2.0383 2 2 2 4 44.84 15.26 2.0215 -4 0 2 2 44.90 1.72 2.0188 3 3 1 4 45.10 20.28 2.0104 -2 1 3 4 45.28 8.47 2.0028 4 2 0 4 45.43 4.21 1.9963 -4 1 2 4 45.55 2.41 1.9916 0 6 1 4 45.78 5.22 1.9822 -1 6 1 4 46.39 2.81 1.9573 0 1 3 4 46.50 2.59 1.9529 -4 3 1 4 46.86 7.92 1.9387 -2 2 3 4 47.16 7.12 1.9272 -3 4 2 4 47.19 5.05 1.9260 -4 2 2 4 47.39 2.12 1.9182 2 3 2 4 47.83 7.99 1.9018 -3 0 3 2 48.12 2.63 1.8909 0 2 3 4 48.14 6.49 1.8901 2 6 0 4 48.40 1.34 1.8808 -3 1 3 4 48.60 3.25 1.8732 -2 6 1 4 48.96 3.47 1.8606 3 4 1 4 49.05 1.98 1.8572 -1 3 3 4 49.70 1.21 1.8345 -2 3 3 4 50.28 3.64 1.8146 1 0 3 2 50.48 7.33 1.8080 1 5 2 4 50.83 1.67 1.7963 1 1 3 4 51.59 2.72 1.7715 1 7 0 4 51.79 7.47 1.7653 -5 0 1 2 52.05 1.28 1.7571 4 4 0 4 52.06 9.99 1.7566 4 2 1 4 52.32 5.41 1.7485 -5 1 1 4 52.39 12.16 1.7465 -1 6 2 4 52.45 12.89 1.7446 1 2 3 4 52.70 18.28 1.7369 2 6 1 4 52.87 1.56 1.7318 -1 4 3 4 52.92 5.16 1.7301 3 2 2 4 53.17 9.80 1.7225 0 6 2 4 53.72 12.51 1.7062 -3 6 1 4 53.78 3.97 1.7045 -4 4 2 4 53.91 13.14 1.7007 -5 2 1 4 53.93 1.77 1.7000 -4 1 3 4 53.99 1.39 1.6984 -2 6 2 4 54.27 5.08 1.6902 3 6 0 4 54.63 5.14 1.6801 0 4 3 4 54.70 16.06 1.6780 4 3 1 4 55.07 4.15 1.6675 1 3 3 4 55.24 10.19 1.6628 -4 5 1 4 55.53 3.16 1.6549 3 3 2 4 56.03 1.96 1.6412 2 5 2 4 56.28 4.51 1.6345 1 6 2 4 56.38 2.19 1.6318 5 2 0 4 56.42 7.97 1.6310 -3 4 3 4 56.49 5.16 1.6290 -5 3 1 4 57.30 3.42 1.6078 2 1 3 4 57.51 16.79 1.6025 -1 5 3 4 57.85 12.49 1.5940 -3 6 2 4 58.02 4.53 1.5896 -4 3 3 4 58.19 4.98 1.5854 0 8 0 2 58.37 5.13 1.5809 -4 5 2 4 58.61 19.58 1.5749 1 4 3 4 58.66 6.08 1.5739 -5 3 2 4 58.80 13.31 1.5704 2 2 3 4 58.89 2.16 1.5682 5 3 0 4 59.18 5.97 1.5613 0 5 3 4 59.31 3.65 1.5581 1 8 0 4 59.41 2.45 1.5557 3 6 1 4 59.65 2.64 1.5502 -2 0 4 2 59.98 8.17 1.5424 -5 4 1 4 60.29 1.68 1.5352 -3 7 1 4 60.54 4.63 1.5295 -2 7 2 4 60.74 5.47 1.5249 -4 6 1 4 60.78 1.53 1.5239 4 0 2 2 60.80 3.29 1.5235 3 7 0 4 61.28 2.05 1.5126 5 0 1 2 61.45 3.55 1.5088 -4 4 3 4 61.48 1.46 1.5082 2 6 2 4 61.76 7.60 1.5020 5 1 1 4 62.64 3.67 1.4831 4 5 1 4 62.70 6.50 1.4817 4 2 2 4 62.88 3.60 1.4780 -1 6 3 4 63.40 1.10 1.4670 -3 2 4 4 63.43 1.79 1.4665 -2 6 3 4 63.70 1.51 1.4610 -4 6 2 4 64.14 3.98 1.4519 -3 7 2 4 64.41 1.14 1.4466 0 2 4 4 64.57 1.02 1.4432 2 4 3 4 64.94 3.16 1.4359 -6 1 2 4 65.10 1.10 1.4328 -5 3 3 4 65.20 5.47 1.4309 -6 2 1 4 65.43 8.31 1.4264 -4 0 4 2 65.62 4.13 1.4227 3 7 1 4 65.90 3.29 1.4174 -4 1 4 4 66.09 2.36 1.4138 -3 6 3 4 66.30 1.06 1.4098 -5 5 2 4 66.34 1.12 1.4091 -6 2 2 4 66.48 5.54 1.4065 2 8 1 4 66.87 1.09 1.3991 -4 7 1 4 66.89 1.06 1.3988 0 8 2 4 67.22 3.58 1.3926 -2 4 4 4 67.37 2.17 1.3900 1 9 0 4 67.51 3.17 1.3874 -6 3 1 4 67.53 5.61 1.3871 1 1 4 4 67.58 3.16 1.3862 2 7 2 4 68.29 7.78 1.3735 4 4 2 4 68.33 2.80 1.3728 -5 4 3 4 68.63 2.09 1.3675 -6 3 2 4 68.76 5.83 1.3652 5 4 1 4 68.89 1.50 1.3629 1 2 4 4 68.91 1.91 1.3626 -1 7 3 4 68.96 4.80 1.3618 -3 4 4 4 69.44 1.04 1.3536 -2 7 3 4 69.62 1.47 1.3504 1 8 2 4 70.42 1.78 1.3370 0 7 3 4 70.44 5.36 1.3367 2 9 0 4 71.30 1.10 1.3228 -5 6 2 4 71.30 1.53 1.3227 -2 5 4 4 71.58 1.33 1.3182 -6 2 3 4 72.34 1.16 1.3063 4 5 2 4 72.36 3.14 1.3060 5 1 2 4 73.63 1.38 1.2866 -4 8 1 4 73.65 1.25 1.2863 6 4 0 4 73.69 1.11 1.2857 5 2 2 4 73.87 4.32 1.2829 -1 9 2 4 73.93 2.24 1.2820 0 5 4 4 74.87 1.33 1.2683 0 10 0 2 75.20 3.52 1.2635 -2 9 2 4 75.75 2.36 1.2557 -6 5 2 4 76.34 3.62 1.2475 -4 8 2 4 76.40 1.02 1.2466 4 2 3 4 76.64 2.39 1.2433 -4 5 4 4 76.85 3.09 1.2404 0 10 1 4 77.04 1.16 1.2378 0 8 3 4 77.13 3.30 1.2366 -2 1 5 4 77.48 1.37 1.2319 6 3 1 4 77.81 1.57 1.2276 -3 6 4 4 78.43 2.81 1.2193 -2 2 5 4 79.31 3.67 1.2080 -6 1 4 4 79.46 1.86 1.2062 -6 6 1 4 79.84 2.35 1.2013 3 9 1 4 80.13 2.59 1.1977 4 8 1 4 80.44 1.22 1.1939 1 8 3 4 80.75 1.50 1.1901 -4 1 5 4 81.17 3.00 1.1850 7 2 0 4 82.17 1.16 1.1731 -5 5 4 4 82.58 1.16 1.1683 0 2 5 4 82.74 1.59 1.1664 -6 3 4 4 82.92 1.17 1.1643 -4 8 3 4 83.20 1.06 1.1612 5 7 1 4 83.31 1.25 1.1599 7 3 0 4 83.33 5.01 1.1597 3 2 4 4 84.17 1.74 1.1503 -4 3 5 4 84.29 1.50 1.1489 6 0 2 2 84.40 2.82 1.1477 -3 4 5 4 85.44 1.01 1.1364 -6 6 3 4 85.82 1.05 1.1323 -3 9 3 4 86.48 1.18 1.1253 -7 5 1 4 86.52 1.52 1.1249 3 7 3 4 86.85 1.88 1.1215 -5 6 4 4 87.37 1.56 1.1161 4 9 1 4 87.51 2.01 1.1147 1 2 5 4 87.61 1.06 1.1137 1 11 1 4 87.75 1.02 1.1123 2 11 0 4 88.42 2.40 1.1056 1 7 4 4 88.44 1.27 1.1054 -1 8 4 4 88.49 1.25 1.1049 -1 5 5 4 88.63 1.32 1.1035 -7 1 4 4 88.85 1.24 1.1013 -5 -9 1 4 89.01 1.61 1.0998 6 6 1 4 89.54 1.09 1.0947 -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.