Realgar Wyckoff R W G Crystal Structures 1 (1963) 85-237 Second edition. Interscience Publishers, New York, New York _database_code_amcsd 0011671 CELL PARAMETERS: 9.2700 13.5000 6.5600 90.000 106.620 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 786.654 Density (g/cm3): 3.613 MAX. ABS. INTENSITY / VOLUME**2: 19.74430171 RIR: 1.779 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.93 9.00 7.4205 1 1 0 4 13.12 4.75 6.7500 0 2 0 2 14.75 43.48 6.0044 -1 0 1 2 15.55 40.48 5.6985 0 1 1 4 16.16 26.30 5.4862 -1 1 1 4 16.49 100.00 5.3743 1 2 0 4 19.29 9.01 4.6001 0 2 1 4 19.49 1.24 4.5536 1 0 1 2 19.79 1.28 4.4863 -1 2 1 4 21.06 5.56 4.2189 2 1 0 4 21.95 22.67 4.0489 -2 1 1 4 22.14 3.79 4.0143 1 3 0 4 23.57 3.73 3.7749 1 2 1 4 23.98 5.96 3.7102 2 2 0 4 24.33 4.87 3.6590 0 3 1 4 24.78 11.00 3.5930 -2 2 1 4 27.87 2.63 3.2008 1 3 1 4 28.06 1.18 3.1798 -1 1 2 4 28.23 34.50 3.1610 2 3 0 4 28.29 30.11 3.1549 1 4 0 4 28.40 46.38 3.1430 0 0 2 2 28.50 2.94 3.1314 2 1 1 4 28.92 1.28 3.0876 -2 3 1 4 29.17 7.27 3.0611 0 1 2 4 29.44 42.59 3.0340 -3 0 1 2 30.05 25.72 2.9735 0 4 1 4 30.19 7.88 2.9601 -3 1 1 4 30.36 26.35 2.9442 -1 2 2 4 30.50 18.74 2.9306 -2 1 2 4 30.77 57.77 2.9057 2 2 1 4 30.92 1.97 2.8922 3 1 0 4 31.40 11.13 2.8492 0 2 2 4 32.35 10.29 2.7673 -3 2 1 4 33.04 10.44 2.7115 3 2 0 4 33.04 45.91 2.7114 1 4 1 4 33.34 9.99 2.6872 2 4 0 4 33.52 16.81 2.6737 1 1 2 4 33.94 7.08 2.6416 -2 4 1 4 34.73 16.53 2.5833 1 5 0 4 34.82 2.69 2.5767 0 3 2 4 35.50 1.48 2.5291 1 2 2 4 35.69 3.05 2.5156 -3 3 1 4 35.84 14.94 2.5054 -3 1 2 4 35.96 1.78 2.4974 -2 3 2 4 36.32 14.47 2.4735 3 3 0 4 36.49 17.87 2.4625 -1 5 1 4 37.08 10.71 2.4246 3 0 1 2 37.69 4.24 2.3864 3 1 1 4 37.71 9.63 2.3852 -3 2 2 4 38.32 8.97 2.3492 -1 4 2 4 38.65 2.62 2.3295 2 4 1 4 39.49 4.30 2.2818 3 2 1 4 39.58 2.01 2.2768 2 0 2 2 40.07 14.35 2.2500 0 6 0 2 40.53 6.15 2.2258 3 4 0 4 40.63 1.79 2.2207 4 0 0 2 40.67 14.82 2.2183 -3 3 2 4 41.20 2.22 2.1912 4 1 0 4 41.28 1.93 2.1871 -4 2 1 4 41.35 14.23 2.1837 -1 0 3 2 41.40 11.91 2.1811 1 6 0 4 41.87 3.03 2.1574 2 2 2 4 41.91 7.43 2.1557 -1 1 3 4 42.60 10.98 2.1221 -4 0 2 2 42.65 14.63 2.1201 -2 1 3 4 42.87 5.62 2.1095 4 2 0 4 42.93 5.66 2.1069 -1 6 1 4 43.15 6.23 2.0964 -4 1 2 4 43.72 2.80 2.0705 0 1 3 4 44.28 5.69 2.0457 -2 2 3 4 44.54 2.97 2.0344 -3 4 2 4 44.77 4.70 2.0244 -4 2 2 4 45.17 3.54 2.0071 2 6 0 4 45.31 2.70 2.0015 -3 0 3 2 45.46 2.05 1.9951 3 5 0 4 45.64 1.50 1.9879 -2 6 1 4 46.10 5.49 1.9691 3 4 1 4 46.21 2.51 1.9646 -1 3 3 4 46.89 1.05 1.9375 -2 3 3 4 47.37 3.77 1.9189 1 5 2 4 47.84 1.79 1.9012 1 1 3 4 48.29 1.03 1.8847 1 7 0 4 49.11 1.43 1.8551 4 4 0 4 49.14 2.46 1.8540 -5 0 1 2 49.14 7.76 1.8539 -1 6 2 4 49.15 3.13 1.8537 4 2 1 4 49.34 10.39 1.8470 1 2 3 4 49.42 15.95 1.8442 2 6 1 4 49.43 1.15 1.8437 0 7 1 4 49.63 3.10 1.8367 -5 1 1 4 49.84 2.43 1.8297 3 2 2 4 49.84 9.17 1.8295 0 6 2 4 50.50 12.45 1.8073 -3 6 1 4 50.82 2.32 1.7965 -4 4 2 4 50.98 2.68 1.7914 3 6 0 4 51.09 11.78 1.7878 -5 2 1 4 51.11 1.41 1.7871 -4 1 3 4 51.32 3.55 1.7801 0 4 3 4 51.58 8.58 1.7721 4 3 1 4 51.76 3.15 1.7662 1 3 3 4 52.08 6.96 1.7561 -4 5 1 4 52.09 1.21 1.7558 -2 7 1 4 52.24 1.83 1.7510 3 3 2 4 52.58 2.43 1.7406 2 5 2 4 52.74 2.54 1.7357 1 6 2 4 53.21 5.73 1.7215 -3 4 3 4 53.32 2.68 1.7180 5 2 0 4 53.45 4.35 1.7142 -5 3 1 4 53.88 1.80 1.7015 2 1 3 4 54.01 15.42 1.6979 -1 5 3 4 54.37 5.04 1.6875 0 8 0 2 54.38 7.64 1.6870 -3 6 2 4 54.85 4.71 1.6737 -4 3 3 4 55.02 15.54 1.6690 1 4 3 4 55.04 4.84 1.6685 -4 5 2 4 55.26 11.17 1.6623 2 2 3 4 55.42 1.96 1.6578 1 8 0 4 55.51 4.06 1.6553 0 5 3 4 55.52 3.17 1.6552 -5 3 2 4 55.74 3.91 1.6493 3 6 1 4 56.23 2.39 1.6359 -2 0 4 2 56.54 2.57 1.6276 -3 7 1 4 56.64 6.96 1.6250 -5 4 1 4 56.73 1.82 1.6226 -2 7 2 4 56.99 2.50 1.6160 3 7 0 4 57.13 4.42 1.6124 -4 6 1 4 57.23 1.42 1.6096 4 0 2 2 57.59 2.05 1.6004 2 6 2 4 57.99 2.44 1.5903 -4 4 3 4 58.27 5.77 1.5834 5 1 1 4 58.86 2.23 1.5689 4 5 1 4 58.94 3.88 1.5670 -1 6 3 4 58.99 6.98 1.5657 4 2 2 4 59.19 1.07 1.5609 0 1 4 4 59.52 1.71 1.5532 -2 6 3 4 59.58 2.19 1.5517 5 2 1 4 59.79 1.05 1.5467 -3 2 4 4 59.92 2.46 1.5438 -4 6 2 4 60.16 3.37 1.5381 -3 7 2 4 60.49 1.00 1.5306 0 2 4 4 60.56 1.20 1.5290 2 4 3 4 60.58 1.17 1.5284 -5 5 1 4 61.43 2.52 1.5093 3 7 1 4 61.51 3.24 1.5075 -6 1 2 4 61.67 6.03 1.5041 -6 2 1 4 61.80 6.61 1.5011 -4 0 4 2 62.06 2.40 1.4954 -3 6 3 4 62.10 5.98 1.4946 2 8 1 4 62.23 3.56 1.4919 -4 1 4 4 62.47 1.92 1.4868 0 8 2 4 63.16 1.64 1.4721 -2 4 4 4 63.18 1.87 1.4716 2 7 2 4 63.36 4.57 1.4679 1 1 4 4 63.77 5.32 1.4595 -6 3 1 4 64.10 9.16 1.4528 4 4 2 4 64.46 1.15 1.4455 -1 7 3 4 64.47 2.82 1.4453 -5 4 3 4 64.61 1.62 1.4426 1 2 4 4 64.66 4.99 1.4416 5 4 1 4 64.86 2.99 1.4376 -3 4 4 4 64.86 1.57 1.4375 -6 3 2 4 64.99 1.26 1.4351 1 8 2 4 65.01 2.06 1.4346 -2 7 3 4 65.52 1.22 1.4246 0 4 4 4 65.70 5.42 1.4211 2 9 0 4 65.81 2.43 1.4190 0 7 3 4 66.66 1.67 1.4031 1 3 4 4 66.87 2.20 1.3991 -2 5 4 4 67.04 1.90 1.3960 -5 6 2 4 67.64 1.42 1.3851 3 8 1 4 67.72 1.03 1.3836 -5 1 4 4 67.99 1.64 1.3788 5 1 2 4 68.86 4.10 1.3635 -1 9 2 4 69.17 1.01 1.3582 0 5 4 4 69.19 3.74 1.3577 5 2 2 4 70.13 2.13 1.3418 -2 9 2 4 71.31 1.54 1.3225 -6 5 2 4 71.42 3.48 1.3208 -4 8 2 4 71.47 2.30 1.3199 0 10 1 4 71.52 1.03 1.3192 -7 0 1 2 71.97 2.12 1.3120 -4 5 4 4 72.37 2.02 1.3058 -2 1 5 4 72.79 2.74 1.2992 6 3 1 4 73.54 1.38 1.2879 -2 2 5 4 74.77 1.70 1.2698 4 8 1 4 74.80 1.86 1.2692 -6 1 4 4 75.88 1.55 1.2539 -4 1 5 4 76.25 1.08 1.2487 -4 6 4 4 76.36 1.72 1.2471 7 2 0 4 77.14 1.30 1.2365 -5 5 4 4 77.83 2.84 1.2273 3 2 4 4 77.88 1.52 1.2266 -6 3 4 4 78.11 1.51 1.2235 5 8 0 4 78.58 1.09 1.2174 2 5 4 4 78.94 1.67 1.2127 -4 3 5 4 79.01 2.67 1.2119 -3 4 5 4 79.72 1.05 1.2029 2 8 3 4 79.92 1.15 1.2003 -3 9 3 4 80.26 1.07 1.1962 -5 1 5 4 80.53 1.09 1.1928 3 7 3 4 81.32 1.59 1.1831 -5 6 4 4 81.61 2.23 1.1797 1 2 5 4 82.06 1.13 1.1743 6 7 0 4 82.22 2.49 1.1725 1 7 4 4 82.49 1.14 1.1694 -1 5 5 4 82.77 2.68 1.1661 -5 9 1 4 82.80 1.49 1.1658 -4 10 1 4 83.19 1.08 1.1612 2 10 2 4 83.40 1.03 1.1589 -7 1 4 4 85.03 1.35 1.1407 -6 7 3 4 85.16 1.26 1.1393 -8 2 2 4 85.47 1.61 1.1360 -2 11 2 4 85.58 2.34 1.1348 0 10 3 4 86.40 3.30 1.1262 -7 3 4 4 86.46 1.32 1.1255 5 7 2 4 86.84 1.29 1.1216 -4 8 4 4 87.38 2.14 1.1161 1 12 0 4 87.45 1.23 1.1154 -8 -3 1 4 87.63 1.15 1.1136 2 7 4 4 87.85 1.22 1.1113 1 8 4 4 88.24 1.75 1.1074 0 12 1 4 88.39 1.60 1.1059 6 5 2 4 88.40 1.06 1.1058 -3 11 2 4 88.54 1.09 1.1044 1 10 3 4 88.92 1.64 1.1007 3 10 2 4 89.27 3.35 1.0972 -5 5 5 4 89.59 2.27 1.0942 2 3 5 4 89.76 1.84 1.0925 5 9 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.