Realgar Kyono A American Mineralogist 94 (2009) 451-460 Molecular conformation and anion configuration variations for As4S4 and As4Se4 in an anion-substituted solid solution Locality: synthetic Note: S1Se1-8 _database_code_amcsd 0004866 CELL PARAMETERS: 9.4460 13.6290 6.6496 90.000 106.426 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 821.127 Density (g/cm3): 4.053 MAX. ABS. INTENSITY / VOLUME**2: 18.33424216 RIR: 1.473 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.73 6.31 7.5453 1 1 0 4 12.99 10.43 6.8145 0 2 0 2 14.55 37.15 6.0885 -1 0 1 2 15.34 55.31 5.7769 0 1 1 4 15.94 26.02 5.5590 -1 1 1 4 16.28 100.00 5.4461 1 2 0 4 19.06 10.96 4.6567 0 2 1 4 19.15 6.51 4.6349 1 0 1 2 19.55 1.34 4.5403 -1 2 1 4 19.60 3.39 4.5302 2 0 0 2 20.66 1.23 4.2990 2 1 0 4 21.61 14.93 4.1128 -2 1 1 4 21.89 1.26 4.0611 1 3 0 4 23.21 3.04 3.8325 1 2 1 4 23.58 12.40 3.7726 2 2 0 4 24.05 5.68 3.7003 0 3 1 4 24.42 7.40 3.6450 -2 2 1 4 26.15 1.82 3.4072 0 4 0 2 27.69 9.54 3.2222 -1 1 2 4 27.81 38.11 3.2079 2 3 0 4 27.98 42.74 3.1892 1 4 0 4 27.98 43.70 3.1891 0 0 2 2 28.75 12.46 3.1052 0 1 2 4 28.91 43.45 3.0882 -3 0 1 2 29.34 1.03 3.0442 -2 0 2 2 29.66 11.99 3.0119 -3 1 1 4 29.73 17.92 3.0053 0 4 1 4 29.97 23.92 2.9819 -1 2 2 4 30.08 20.44 2.9710 -2 1 2 4 30.23 48.49 2.9564 2 2 1 4 30.31 2.50 2.9486 3 1 0 4 30.96 15.83 2.8884 0 2 2 4 31.81 23.01 2.8128 -3 2 1 4 32.21 3.15 2.7795 -2 2 2 4 32.43 15.17 2.7611 3 2 0 4 32.62 55.44 2.7453 1 4 1 4 32.89 17.87 2.7230 2 4 0 4 32.97 23.22 2.7170 1 1 2 4 33.51 9.21 2.6738 -2 4 1 4 33.69 2.70 2.6600 2 3 1 4 34.36 17.38 2.6102 1 5 0 4 34.36 6.99 2.6102 0 3 2 4 34.94 1.85 2.5682 1 2 2 4 35.14 4.87 2.5540 -3 3 1 4 35.29 19.51 2.5431 -3 1 2 4 35.70 11.03 2.5151 3 3 0 4 36.10 17.65 2.4879 -1 5 1 4 36.33 7.12 2.4725 3 0 1 2 36.95 8.65 2.4328 3 1 1 4 37.15 8.81 2.4199 -3 2 2 4 37.86 8.54 2.3764 -1 4 2 4 38.07 1.19 2.3635 2 4 1 4 38.55 1.72 2.3356 2 5 0 4 38.74 4.89 2.3243 3 2 1 4 38.86 1.55 2.3175 2 0 2 2 39.68 16.88 2.2715 0 6 0 2 39.80 2.36 2.2651 4 0 0 2 39.89 4.89 2.2601 3 4 0 4 40.09 6.98 2.2491 -3 3 2 4 40.37 2.61 2.2345 4 1 0 4 40.53 3.19 2.2257 -4 2 1 4 40.76 15.88 2.2137 -1 0 3 2 40.96 10.41 2.2033 1 6 0 4 41.14 4.14 2.1941 2 2 2 4 41.32 6.02 2.1851 -1 1 3 4 41.88 9.93 2.1570 -4 0 2 2 42.04 4.62 2.1495 4 2 0 4 42.05 13.15 2.1486 -2 1 3 4 42.43 3.70 2.1305 -4 1 2 4 42.48 4.43 2.1282 -1 6 1 4 42.95 1.11 2.1057 -1 5 2 4 43.06 1.88 2.1007 0 1 3 4 43.67 5.66 2.0727 -2 2 3 4 43.93 1.12 2.0612 -3 4 2 4 44.03 5.35 2.0564 -4 2 2 4 44.63 1.96 2.0305 2 6 0 4 44.65 3.38 2.0295 -3 0 3 2 44.79 1.78 2.0235 3 5 0 4 45.11 1.35 2.0099 -2 6 1 4 45.17 1.04 2.0074 -3 1 3 4 45.32 5.83 2.0012 3 4 1 4 45.58 2.20 1.9901 -1 3 3 4 46.27 1.01 1.9623 -2 3 3 4 46.73 5.04 1.9438 1 5 2 4 47.06 3.06 1.9311 1 1 3 4 47.78 1.60 1.9035 1 7 0 4 48.17 2.38 1.8893 4 2 1 4 48.17 1.68 1.8892 -5 0 1 2 48.54 13.63 1.8755 1 2 3 4 48.58 5.07 1.8740 -1 6 2 4 48.66 2.34 1.8713 -5 1 1 4 48.76 15.51 1.8676 2 6 1 4 48.90 1.99 1.8627 3 2 2 4 49.25 9.48 1.8502 0 6 2 4 49.83 14.81 1.8298 -3 6 1 4 50.05 2.09 1.8225 -4 4 2 4 50.11 19.07 1.8205 -5 2 1 4 50.26 1.09 1.8154 3 6 0 4 50.58 12.70 1.8046 4 3 1 4 50.61 3.83 1.8037 0 4 3 4 50.94 3.48 1.7925 1 3 3 4 51.27 6.41 1.7819 -4 5 1 4 51.29 1.83 1.7814 3 3 2 4 51.50 1.56 1.7746 -2 7 1 4 51.78 1.88 1.7656 2 5 2 4 52.05 2.57 1.7571 1 6 2 4 52.24 1.74 1.7512 5 2 0 4 52.46 2.48 1.7444 -5 3 1 4 52.48 7.25 1.7436 -3 4 3 4 52.92 1.42 1.7302 2 1 3 4 53.31 12.76 1.7184 -1 5 3 4 53.68 7.28 1.7073 -3 6 2 4 53.81 5.83 1.7036 0 8 0 2 54.03 6.57 1.6972 -4 3 3 4 54.18 15.43 1.6929 1 4 3 4 54.23 3.90 1.6915 -4 5 2 4 54.29 10.06 1.6898 2 2 3 4 54.56 3.15 1.6820 -5 3 2 4 54.76 3.95 1.6764 0 5 3 4 54.83 3.09 1.6743 1 8 0 4 54.89 3.72 1.6728 3 6 1 4 55.28 1.09 1.6618 0 7 2 4 55.41 4.48 1.6581 -2 0 4 2 55.63 6.79 1.6522 -5 4 1 4 55.82 1.31 1.6470 -3 7 1 4 56.07 2.83 1.6402 -2 7 2 4 56.21 2.66 1.6364 3 7 0 4 56.27 5.45 1.6349 -4 6 1 4 57.03 5.52 1.6149 5 1 1 4 57.10 2.27 1.6130 -5 1 3 4 57.14 2.27 1.6120 -4 4 3 4 57.80 7.16 1.5950 4 2 2 4 57.82 1.99 1.5947 4 5 1 4 57.82 1.12 1.5946 2 8 0 4 58.19 3.37 1.5854 -1 6 3 4 58.33 1.68 1.5820 5 2 1 4 58.77 1.62 1.5713 -2 6 3 4 59.06 3.14 1.5641 -4 6 2 4 59.40 3.03 1.5560 -3 7 2 4 60.33 2.19 1.5343 -6 1 2 4 60.41 5.46 1.5323 -6 2 1 4 60.86 5.59 1.5221 -4 0 4 2 61.25 2.07 1.5134 -3 6 3 4 61.28 3.12 1.5127 -4 1 4 4 61.31 5.76 1.5120 2 8 1 4 61.55 1.34 1.5067 3 2 3 4 61.73 2.28 1.5027 0 8 2 4 62.27 2.89 1.4909 -2 4 4 4 62.28 1.83 1.4907 2 7 2 4 62.28 3.48 1.4907 1 1 4 4 62.50 3.98 1.4860 -6 3 1 4 62.52 1.39 1.4855 -4 2 4 4 62.87 6.80 1.4782 4 4 2 4 63.37 4.86 1.4678 5 4 1 4 63.44 2.29 1.4663 -5 4 3 4 63.65 1.54 1.4620 -6 3 2 4 63.93 2.73 1.4561 -3 4 4 4 64.19 1.31 1.4509 -2 7 3 4 64.93 3.98 1.4362 2 9 0 4 64.95 1.93 1.4359 0 7 3 4 65.60 1.28 1.4231 -3 8 2 4 65.94 1.60 1.4166 -2 5 4 4 66.52 1.24 1.4057 5 1 2 4 67.71 2.77 1.3837 5 2 2 4 68.06 3.53 1.3775 -1 9 2 4 70.03 1.55 1.3435 -6 5 2 4 70.43 2.96 1.3369 -4 8 2 4 70.68 1.11 1.3328 0 10 1 4 71.21 2.23 1.3242 6 3 1 4 73.50 1.17 1.2885 -6 1 4 4 75.13 1.13 1.2645 -4 6 4 4 76.29 1.64 1.2481 3 2 4 4 77.71 1.07 1.2289 -4 3 5 4 77.80 1.57 1.2277 -3 4 5 4 78.87 1.15 1.2137 -3 9 3 4 80.05 1.12 1.1987 -5 6 4 4 80.14 1.93 1.1976 1 2 5 4 80.91 1.91 1.1881 1 7 4 4 81.45 1.26 1.1816 -5 9 1 4 81.62 1.78 1.1796 -4 10 1 4 83.59 1.10 1.1567 -6 7 3 4 84.43 1.31 1.1474 0 10 3 4 84.76 1.30 1.1437 5 7 2 4 84.77 2.09 1.1436 -7 3 4 4 85.44 1.40 1.1364 -8 3 1 4 85.56 1.03 1.1351 -4 8 4 4 86.33 1.98 1.1269 1 12 0 4 87.80 1.72 1.1118 -5 5 5 4 87.84 1.90 1.1114 2 3 5 4 88.15 1.30 1.1083 5 9 1 4 88.17 1.40 1.1081 -8 3 3 4 89.29 2.59 1.0970 4 4 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.