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 = 2.82 GPa Locality: Baia Sprie mine, Romania _database_code_amcsd 0019370 CELL PARAMETERS: 8.8760 12.8870 6.2720 90.000 106.850 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 686.622 Density (g/cm3): 4.139 MAX. ABS. INTENSITY / VOLUME**2: 16.65498077 RIR: 1.310 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.48 10.66 7.0926 1 1 0 4 13.74 5.66 6.4435 0 2 0 2 15.41 49.40 5.7505 -1 0 1 2 16.29 40.99 5.4414 0 1 1 4 16.88 28.47 5.2514 -1 1 1 4 17.27 100.00 5.1337 1 2 0 4 20.22 8.06 4.3921 0 2 1 4 20.70 1.63 4.2904 -1 2 1 4 20.91 1.12 4.2475 2 0 0 2 22.03 8.43 4.0340 2 1 0 4 22.93 26.02 3.8788 -2 1 1 4 23.20 6.23 3.8334 1 3 0 4 24.72 5.63 3.6022 1 2 1 4 25.11 7.21 3.5463 2 2 0 4 25.50 5.39 3.4933 0 3 1 4 25.90 14.23 3.4395 -2 2 1 4 29.24 4.77 3.0546 1 3 1 4 29.37 2.16 3.0408 -1 1 2 4 29.58 52.36 3.0203 2 3 0 4 29.66 38.44 3.0124 1 4 0 4 29.77 60.69 3.0014 0 0 2 2 29.89 5.59 2.9889 2 1 1 4 30.58 10.71 2.9231 0 1 2 4 30.76 51.23 2.9067 -3 0 1 2 31.52 32.29 2.8387 0 4 1 4 31.55 8.49 2.8354 -3 1 1 4 31.79 36.60 2.8148 -1 2 2 4 31.89 23.19 2.8062 -2 1 2 4 32.28 73.54 2.7734 2 2 1 4 32.37 3.47 2.7657 3 1 0 4 32.92 13.95 2.7207 0 2 2 4 33.83 17.61 2.6496 -3 2 1 4 34.15 1.62 2.6257 -2 2 2 4 34.60 14.20 2.5924 3 2 0 4 34.66 58.49 2.5879 1 4 1 4 34.96 13.68 2.5669 2 4 0 4 35.18 21.32 2.5513 1 1 2 4 35.55 12.44 2.5255 -2 4 1 4 36.43 26.69 2.4664 1 5 0 4 36.52 6.89 2.4603 0 3 2 4 37.26 2.68 2.4134 1 2 2 4 37.35 5.82 2.4073 -3 3 1 4 37.46 17.30 2.4005 -3 1 2 4 37.65 3.15 2.3894 -2 3 2 4 37.99 1.22 2.3683 0 5 1 4 38.06 16.33 2.3642 3 3 0 4 38.27 21.58 2.3520 -1 5 1 4 38.90 9.32 2.3151 3 0 1 2 39.44 15.40 2.2846 -3 2 2 4 39.55 7.65 2.2786 3 1 1 4 40.17 11.72 2.2447 -1 4 2 4 40.57 3.66 2.2235 2 4 1 4 40.96 1.53 2.2035 2 5 0 4 41.10 2.16 2.1961 0 4 2 4 41.44 5.35 2.1788 3 2 1 4 41.57 3.13 2.1723 2 0 2 2 42.07 12.30 2.1478 0 6 0 2 42.50 7.14 2.1269 3 4 0 4 42.57 14.31 2.1238 -3 3 2 4 42.57 1.59 2.1237 4 0 0 2 43.17 1.69 2.0955 4 1 0 4 43.21 6.04 2.0939 -4 2 1 4 43.35 14.62 2.0873 -1 0 3 2 43.46 17.33 2.0823 1 6 0 4 43.94 8.75 2.0605 -1 1 3 4 43.99 3.77 2.0585 2 2 2 4 44.45 1.16 2.0380 3 3 1 4 44.55 13.36 2.0337 -4 0 2 2 44.67 17.14 2.0286 -2 1 3 4 44.82 1.90 2.0223 0 6 1 4 44.94 7.33 2.0170 4 2 0 4 45.06 4.83 2.0121 -1 6 1 4 45.13 4.15 2.0089 -4 1 2 4 45.90 2.78 1.9772 0 1 3 4 46.12 1.49 1.9680 -4 3 1 4 46.40 6.99 1.9571 -2 2 3 4 46.66 5.05 1.9468 -3 4 2 4 46.84 4.74 1.9394 -4 2 2 4 46.87 1.41 1.9385 2 3 2 4 47.43 5.88 1.9168 -3 0 3 2 47.43 5.21 1.9167 2 6 0 4 47.59 1.32 1.9109 0 2 3 4 47.71 1.07 1.9061 3 5 0 4 47.89 2.30 1.8993 -2 6 1 4 47.98 1.28 1.8960 -3 1 3 4 48.42 3.78 1.8801 3 4 1 4 48.49 2.15 1.8774 -1 3 3 4 49.75 2.36 1.8327 1 0 3 2 49.79 6.30 1.8314 1 5 2 4 50.29 1.57 1.8144 1 1 3 4 50.74 1.82 1.7992 1 7 0 4 51.48 5.36 1.7752 -5 0 1 2 51.54 1.15 1.7731 4 4 0 4 51.61 9.86 1.7708 -1 6 2 4 51.63 6.79 1.7704 4 2 1 4 51.87 11.19 1.7628 1 2 3 4 51.94 16.01 1.7604 2 6 1 4 52.00 4.22 1.7585 -5 1 1 4 52.22 1.35 1.7518 -1 4 3 4 52.38 9.28 1.7467 0 6 2 4 52.40 3.50 1.7460 3 2 2 4 53.01 12.12 1.7274 -3 6 1 4 53.23 1.08 1.7207 -2 6 2 4 53.27 3.27 1.7198 -4 4 2 4 53.52 1.61 1.7123 -4 1 3 4 53.55 11.98 1.7114 -5 2 1 4 53.55 3.95 1.7112 3 6 0 4 53.94 4.46 1.6998 0 4 3 4 54.20 12.28 1.6924 4 3 1 4 54.43 3.57 1.6857 1 3 3 4 54.65 8.69 1.6795 -4 5 1 4 54.73 1.12 1.6772 -2 7 1 4 54.95 2.81 1.6710 3 3 2 4 55.31 1.76 1.6610 2 5 2 4 55.47 3.74 1.6566 1 6 2 4 55.81 6.97 1.6473 -3 4 3 4 55.97 2.21 1.6428 5 2 0 4 56.06 4.17 1.6406 -5 3 1 4 56.70 2.79 1.6234 2 1 3 4 56.75 14.74 1.6221 -1 5 3 4 57.10 10.38 1.6131 -3 6 2 4 57.18 4.87 1.6109 0 8 0 2 57.50 4.41 1.6028 -4 3 3 4 57.75 4.19 1.5966 -4 5 2 4 57.89 16.88 1.5930 1 4 3 4 58.16 12.29 1.5861 2 2 3 4 58.20 4.83 1.5852 -5 3 2 4 58.30 3.02 1.5827 1 8 0 4 58.39 5.13 1.5805 0 5 3 4 58.41 1.58 1.5799 5 3 0 4 58.63 2.66 1.5746 3 6 1 4 59.04 2.46 1.5646 -2 0 4 2 59.43 1.71 1.5553 -3 7 1 4 59.45 7.38 1.5548 -5 4 1 4 59.63 3.67 1.5504 -2 7 2 4 59.93 2.68 1.5435 3 7 0 4 60.01 4.80 1.5416 -4 6 1 4 60.24 1.33 1.5363 4 0 2 2 60.63 1.49 1.5273 2 6 2 4 60.81 1.58 1.5232 5 0 1 2 60.84 2.97 1.5225 -4 4 3 4 61.28 6.25 1.5126 5 1 1 4 61.93 3.14 1.4983 4 5 1 4 62.00 3.39 1.4969 -1 6 3 4 62.11 5.87 1.4944 4 2 2 4 62.57 1.69 1.4845 -2 6 3 4 62.77 1.06 1.4802 -3 2 4 4 62.94 1.67 1.4768 -4 6 2 4 63.24 3.29 1.4703 -3 7 2 4 64.53 2.93 1.4442 -6 1 2 4 64.69 3.37 1.4409 3 7 1 4 64.75 5.29 1.4396 -6 2 1 4 64.86 6.85 1.4376 -4 0 4 2 65.24 2.50 1.4301 -3 6 3 4 65.31 2.98 1.4288 -4 1 4 4 65.42 5.16 1.4267 2 8 1 4 65.80 1.35 1.4194 0 8 2 4 66.18 1.54 1.4120 1 9 0 4 66.43 2.68 1.4074 -2 4 4 4 66.58 2.47 1.4045 2 7 2 4 66.76 4.87 1.4011 1 1 4 4 67.00 3.53 1.3967 -6 3 1 4 67.55 7.44 1.3867 4 4 2 4 67.70 2.37 1.3841 -5 4 3 4 67.88 1.40 1.3807 -1 7 3 4 68.09 5.33 1.3770 5 4 1 4 68.10 1.42 1.3769 1 2 4 4 68.11 1.79 1.3767 -6 3 2 4 68.19 3.81 1.3753 -3 4 4 4 68.43 1.19 1.3710 -2 7 3 4 68.50 1.24 1.3698 1 8 2 4 69.24 4.99 1.3569 2 9 0 4 69.37 1.78 1.3548 0 7 3 4 70.40 1.46 1.3374 -2 5 4 4 70.50 1.21 1.3357 -5 6 2 4 71.05 1.08 1.3268 -6 2 3 4 71.70 2.44 1.3163 5 1 2 4 72.61 3.61 1.3020 -1 9 2 4 72.95 1.56 1.2969 0 5 4 4 72.99 1.61 1.2962 5 2 2 4 73.95 2.70 1.2817 -2 9 2 4 75.03 2.00 1.2659 -6 5 2 4 75.25 3.44 1.2627 -4 8 2 4 75.45 2.59 1.2600 0 10 1 4 75.76 1.87 1.2555 -4 5 4 4 76.27 2.55 1.2485 -2 1 5 4 76.79 1.63 1.2413 6 3 1 4 76.79 1.11 1.2412 -3 6 4 4 77.53 2.16 1.2313 -2 2 5 4 78.55 1.47 1.2178 3 9 1 4 78.61 1.33 1.2170 -6 6 1 4 78.67 2.73 1.2162 -6 1 4 4 78.97 2.07 1.2124 4 8 1 4 79.93 1.31 1.2002 -4 1 5 4 80.54 2.22 1.1926 7 2 0 4 81.27 1.13 1.1838 -5 5 4 4 82.00 1.39 1.1751 -6 3 4 4 82.35 3.63 1.1710 3 2 4 4 82.52 1.01 1.1690 5 8 0 4 83.24 1.61 1.1606 -4 3 5 4 83.38 2.46 1.1591 -3 4 5 4 83.52 1.06 1.1576 6 0 2 2 84.45 1.04 1.1472 -3 9 3 4 85.27 1.33 1.1382 3 7 3 4 85.81 1.57 1.1324 -5 6 4 4 86.00 1.25 1.1303 4 9 1 4 86.41 1.78 1.1261 1 2 5 4 87.04 1.04 1.1196 -1 8 4 4 87.08 2.21 1.1191 1 7 4 4 87.28 1.02 1.1171 -1 5 5 4 87.53 2.16 1.1145 -5 9 1 4 87.60 1.61 1.1138 -4 10 1 4 87.92 1.05 1.1106 -7 1 4 4 87.98 1.19 1.1100 6 6 1 4 89.85 1.23 1.0917 -2 10 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.