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 = 2.14 GPa Locality: Baia Sprie mine, Romania _database_code_amcsd 0019369 CELL PARAMETERS: 9.0030 12.9190 6.3180 90.000 106.870 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 703.221 Density (g/cm3): 4.042 MAX. ABS. INTENSITY / VOLUME**2: 16.90960918 RIR: 1.362 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.35 10.76 7.1678 1 1 0 4 13.71 5.42 6.4595 0 2 0 2 15.27 48.28 5.8040 -1 0 1 2 16.19 41.48 5.4761 0 1 1 4 16.75 28.31 5.2943 -1 1 1 4 17.16 100.00 5.1682 1 2 0 4 20.12 8.10 4.4142 0 2 1 4 20.57 1.73 4.3173 -1 2 1 4 21.75 8.11 4.0866 2 1 0 4 22.66 25.28 3.9238 -2 1 1 4 23.09 5.91 3.8520 1 3 0 4 24.53 5.93 3.6289 1 2 1 4 24.84 7.79 3.5839 2 2 0 4 25.39 5.17 3.5076 0 3 1 4 25.65 13.50 3.4726 -2 2 1 4 29.06 4.52 3.0730 1 3 1 4 29.16 2.06 3.0628 -1 1 2 4 29.33 51.42 3.0455 2 3 0 4 29.54 36.11 3.0242 1 4 0 4 29.55 57.11 3.0231 0 0 2 2 29.56 5.11 3.0217 2 1 1 4 30.02 1.11 2.9764 -2 3 1 4 30.33 48.20 2.9466 -3 0 1 2 30.37 10.30 2.9435 0 1 2 4 31.13 9.00 2.8728 -3 1 1 4 31.40 30.98 2.8488 0 4 1 4 31.58 33.94 2.8332 -1 2 2 4 31.60 22.85 2.8314 -2 1 2 4 31.92 3.19 2.8034 3 1 0 4 31.96 71.67 2.8006 2 2 1 4 32.71 13.76 2.7380 0 2 2 4 33.42 16.80 2.6808 -3 2 1 4 33.86 1.44 2.6471 -2 2 2 4 34.17 14.17 2.6242 3 2 0 4 34.48 55.31 2.6008 1 4 1 4 34.71 13.08 2.5841 2 4 0 4 34.88 20.07 2.5720 1 1 2 4 35.32 11.39 2.5414 -2 4 1 4 36.30 25.42 2.4749 1 5 0 4 36.31 5.93 2.4743 0 3 2 4 36.97 5.28 2.4318 -3 3 1 4 36.97 2.45 2.4315 1 2 2 4 37.05 16.91 2.4267 -3 1 2 4 37.37 3.02 2.4066 -2 3 2 4 37.65 16.87 2.3893 3 3 0 4 38.12 20.43 2.3605 -1 5 1 4 38.41 9.50 2.3438 3 0 1 2 39.03 14.68 2.3077 -3 2 2 4 39.06 7.46 2.3062 3 1 1 4 39.96 10.95 2.2560 -1 4 2 4 40.27 3.36 2.2395 2 4 1 4 40.72 1.66 2.2158 2 5 0 4 40.89 2.12 2.2071 0 4 2 4 40.96 4.63 2.2033 3 2 1 4 41.16 3.23 2.1933 2 0 2 2 41.94 1.95 2.1539 4 0 0 2 41.96 12.43 2.1532 0 6 0 2 42.10 7.14 2.1461 3 4 0 4 42.17 14.50 2.1430 -3 3 2 4 42.55 1.57 2.1246 4 1 0 4 42.63 5.71 2.1209 -4 2 1 4 43.02 14.62 2.1024 -1 0 3 2 43.31 15.99 2.0889 1 6 0 4 43.58 4.10 2.0768 2 2 2 4 43.62 9.03 2.0751 -1 1 3 4 43.97 13.07 2.0592 -4 0 2 2 44.30 16.31 2.0445 -2 1 3 4 44.33 7.08 2.0433 4 2 0 4 44.56 4.00 2.0335 -4 1 2 4 44.68 1.80 2.0284 0 6 1 4 44.90 4.87 2.0187 -1 6 1 4 45.55 2.94 1.9913 0 1 3 4 45.56 1.33 1.9910 -4 3 1 4 46.03 6.75 1.9718 -2 2 3 4 46.26 4.50 1.9624 -3 4 2 4 46.28 4.86 1.9619 -4 2 2 4 46.46 1.20 1.9544 2 3 2 4 46.97 5.35 1.9347 -3 0 3 2 47.19 4.71 1.9260 2 6 0 4 47.24 1.03 1.9239 0 2 3 4 47.33 1.37 1.9208 3 5 0 4 47.52 1.36 1.9133 -3 1 3 4 47.66 1.87 1.9081 -2 6 1 4 47.96 4.00 1.8970 3 4 1 4 48.17 2.01 1.8892 -1 3 3 4 49.34 2.08 1.8471 1 0 3 2 49.50 5.87 1.8412 1 5 2 4 49.87 1.38 1.8285 1 1 3 4 50.58 1.80 1.8046 1 7 0 4 50.70 4.93 1.8006 -5 0 1 2 50.96 1.14 1.7920 4 4 0 4 50.96 6.06 1.7919 4 2 1 4 51.23 4.53 1.7833 -5 1 1 4 51.39 9.15 1.7781 -1 6 2 4 51.46 11.24 1.7759 1 2 3 4 51.64 15.26 1.7699 2 6 1 4 51.84 3.12 1.7637 3 2 2 4 51.89 1.26 1.7620 -1 4 3 4 52.15 9.25 1.7538 0 6 2 4 52.65 11.96 1.7385 -3 6 1 4 52.72 3.21 1.7363 -4 4 2 4 52.78 12.36 1.7344 -5 2 1 4 52.92 1.72 1.7302 -4 1 3 4 53.17 3.67 1.7227 3 6 0 4 53.54 12.20 1.7115 4 3 1 4 53.60 4.33 1.7098 0 4 3 4 54.02 3.51 1.6975 1 3 3 4 54.11 8.23 1.6948 -4 5 1 4 54.39 2.73 1.6868 3 3 2 4 54.48 1.07 1.6842 -2 7 1 4 54.91 1.76 1.6721 2 5 2 4 55.17 2.10 1.6649 5 2 0 4 55.18 3.73 1.6646 1 6 2 4 55.30 3.93 1.6612 -5 3 1 4 55.36 7.07 1.6597 -3 4 3 4 56.17 2.71 1.6375 2 1 3 4 56.42 14.18 1.6307 -1 5 3 4 56.71 10.00 1.6232 -3 6 2 4 56.91 4.62 1.6180 -4 3 3 4 57.03 4.80 1.6149 0 8 0 2 57.21 4.08 1.6103 -4 5 2 4 57.46 5.15 1.6039 -5 3 2 4 57.48 16.38 1.6034 1 4 3 4 57.62 1.67 1.5998 5 3 0 4 57.63 12.39 1.5994 2 2 3 4 58.04 4.78 1.5891 0 5 3 4 58.12 2.82 1.5872 1 8 0 4 58.18 2.60 1.5856 3 6 1 4 58.56 2.57 1.5763 -2 0 4 2 58.71 7.17 1.5727 -5 4 1 4 59.06 1.83 1.5641 -3 7 1 4 59.34 3.18 1.5573 -2 7 2 4 59.48 4.75 1.5541 -4 6 1 4 59.48 1.23 1.5540 4 0 2 2 59.54 2.63 1.5526 3 7 0 4 59.94 1.38 1.5433 5 0 1 2 60.23 1.47 1.5365 2 6 2 4 60.26 2.88 1.5359 -4 4 3 4 60.41 6.49 1.5324 5 1 1 4 61.30 2.87 1.5123 4 5 1 4 61.36 5.90 1.5109 4 2 2 4 61.66 3.38 1.5042 -1 6 3 4 62.20 1.80 1.4925 -2 6 3 4 62.22 1.04 1.4920 -3 2 4 4 62.40 1.68 1.4882 -4 6 2 4 62.85 3.38 1.4786 -3 7 2 4 63.26 1.02 1.4699 2 4 3 4 63.56 3.21 1.4638 -6 1 2 4 63.77 5.32 1.4595 -6 2 1 4 64.19 6.45 1.4510 -4 0 4 2 64.24 3.31 1.4500 3 7 1 4 64.64 3.00 1.4419 -4 1 4 4 64.78 2.38 1.4391 -3 6 3 4 65.09 5.19 1.4330 2 8 1 4 65.53 1.36 1.4244 0 8 2 4 65.94 2.49 1.4166 -2 4 4 4 65.98 1.25 1.4159 1 9 0 4 66.02 4.00 1.4150 -6 3 1 4 66.18 2.21 1.4121 2 7 2 4 66.19 4.53 1.4118 1 1 4 4 66.81 7.61 1.4003 4 4 2 4 66.94 2.34 1.3979 -5 4 3 4 67.15 1.86 1.3940 -6 3 2 4 67.23 5.63 1.3925 5 4 1 4 67.53 1.47 1.3872 1 2 4 4 67.54 1.33 1.3870 -1 7 3 4 67.63 3.55 1.3853 -3 4 4 4 68.05 1.09 1.3777 -2 7 3 4 68.18 1.09 1.3754 1 8 2 4 68.96 5.07 1.3618 2 9 0 4 69.00 1.90 1.3611 0 7 3 4 69.78 1.34 1.3478 -5 6 2 4 69.90 1.47 1.3457 -2 5 4 4 70.73 2.35 1.3320 5 1 2 4 72.02 1.81 1.3112 5 2 2 4 72.33 3.67 1.3064 -1 9 2 4 72.44 1.38 1.3047 0 5 4 4 73.62 2.58 1.2866 -2 9 2 4 74.08 1.99 1.2798 -6 5 2 4 74.70 3.43 1.2707 -4 8 2 4 75.08 1.80 1.2652 -4 5 4 4 75.21 2.48 1.2634 0 10 1 4 75.62 2.30 1.2575 -2 1 5 4 75.67 1.66 1.2568 6 3 1 4 76.88 2.07 1.2400 -2 2 5 4 77.64 1.25 1.2298 -6 6 1 4 77.64 2.81 1.2297 -6 1 4 4 78.07 1.25 1.2241 3 9 1 4 78.32 2.01 1.2208 4 8 1 4 79.13 1.39 1.2104 -4 1 5 4 79.23 1.98 1.2090 7 2 0 4 80.43 1.15 1.1940 -5 5 4 4 80.97 1.36 1.1875 -6 3 4 4 81.48 3.45 1.1813 3 2 4 4 81.73 1.09 1.1783 5 8 0 4 82.27 1.04 1.1719 6 0 2 2 82.43 1.61 1.1700 -4 3 5 4 82.66 2.32 1.1673 -3 4 5 4 83.94 1.08 1.1528 -3 9 3 4 84.54 1.27 1.1461 3 7 3 4 84.96 1.62 1.1416 -5 6 4 4 85.33 1.17 1.1375 4 9 1 4 85.62 1.73 1.1344 1 2 5 4 86.46 2.24 1.1256 1 7 4 4 86.60 1.05 1.1241 -1 5 5 4 86.63 1.01 1.1238 -7 1 4 4 86.76 2.21 1.1224 -5 9 1 4 86.84 1.32 1.1216 6 6 1 4 87.02 1.58 1.1198 -4 10 1 4 88.84 1.03 1.1015 -6 7 3 4 89.39 1.19 1.0961 -2 10 3 4 89.90 2.31 1.0912 -7 3 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.