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: S1Se1-7 _database_code_amcsd 0004865 CELL PARAMETERS: 9.4601 13.6323 6.6492 90.000 106.491 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 822.226 Density (g/cm3): 4.059 MAX. ABS. INTENSITY / VOLUME**2: 18.64860139 RIR: 1.496 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.72 7.01 7.5519 1 1 0 4 12.99 8.77 6.8162 0 2 0 2 14.54 35.29 6.0929 -1 0 1 2 15.34 56.60 5.7753 0 1 1 4 15.93 25.46 5.5626 -1 1 1 4 16.27 100.00 5.4492 1 2 0 4 19.06 11.09 4.6562 0 2 1 4 19.15 6.55 4.6339 1 0 1 2 19.54 1.18 4.5426 -1 2 1 4 19.57 3.46 4.5355 2 0 0 2 20.64 1.10 4.3035 2 1 0 4 21.58 15.59 4.1183 -2 1 1 4 21.88 1.28 4.0628 1 3 0 4 23.21 2.51 3.8322 1 2 1 4 23.56 12.09 3.7759 2 2 0 4 24.05 5.69 3.7004 0 3 1 4 24.39 7.46 3.6489 -2 2 1 4 26.15 1.86 3.4081 0 4 0 2 27.68 9.46 3.2224 -1 1 2 4 27.79 39.35 3.2101 2 3 0 4 27.97 43.74 3.1903 1 4 0 4 27.99 43.42 3.1878 0 0 2 2 28.76 12.99 3.1041 0 1 2 4 28.87 43.86 3.0930 -3 0 1 2 29.32 1.11 3.0464 -2 0 2 2 29.62 12.72 3.0163 -3 1 1 4 29.72 17.98 3.0056 0 4 1 4 29.96 24.24 2.9821 -1 2 2 4 30.06 21.37 2.9731 -2 1 2 4 30.23 48.80 2.9569 2 2 1 4 30.28 2.32 2.9519 3 1 0 4 30.97 15.88 2.8876 0 2 2 4 31.77 23.68 2.8166 -3 2 1 4 32.18 3.31 2.7813 -2 2 2 4 32.39 15.74 2.7639 3 2 0 4 32.62 56.47 2.7455 1 4 1 4 32.87 18.40 2.7246 2 4 0 4 32.98 23.63 2.7159 1 1 2 4 33.49 9.67 2.6757 -2 4 1 4 33.69 2.71 2.6605 2 3 1 4 34.35 18.20 2.6111 1 5 0 4 34.36 7.37 2.6097 0 3 2 4 34.95 1.89 2.5674 1 2 2 4 35.10 5.15 2.5569 -3 3 1 4 35.25 19.97 2.5461 -3 1 2 4 35.67 11.62 2.5173 3 3 0 4 36.09 18.49 2.4887 -1 5 1 4 36.32 7.23 2.4736 3 0 1 2 36.93 9.14 2.4339 3 1 1 4 37.11 9.12 2.4225 -3 2 2 4 37.85 8.82 2.3768 -1 4 2 4 38.07 1.17 2.3640 2 4 1 4 38.53 1.73 2.3367 2 5 0 4 38.72 5.21 2.3252 3 2 1 4 38.87 1.68 2.3169 2 0 2 2 39.67 17.25 2.2721 0 6 0 2 39.75 2.45 2.2677 4 0 0 2 39.86 5.17 2.2618 3 4 0 4 40.05 7.34 2.2513 -3 3 2 4 40.32 2.79 2.2370 4 1 0 4 40.47 3.37 2.2288 -4 2 1 4 40.77 16.73 2.2134 -1 0 3 2 40.95 10.75 2.2040 1 6 0 4 41.15 4.22 2.1937 2 2 2 4 41.32 6.20 2.1848 -1 1 3 4 41.82 10.26 2.1601 -4 0 2 2 41.99 4.81 2.1518 4 2 0 4 42.04 13.94 2.1492 -2 1 3 4 42.37 3.87 2.1334 -4 1 2 4 42.46 4.55 2.1289 -1 6 1 4 42.94 1.16 2.1061 -1 5 2 4 43.08 2.05 2.0999 0 1 3 4 43.66 5.97 2.0733 -2 2 3 4 43.89 1.12 2.0629 -3 4 2 4 43.97 5.59 2.0591 -4 2 2 4 44.61 2.15 2.0314 2 6 0 4 44.62 3.57 2.0310 -3 0 3 2 44.76 1.96 2.0248 3 5 0 4 45.09 1.42 2.0109 -2 6 1 4 45.14 1.13 2.0088 -3 1 3 4 45.30 6.31 2.0019 3 4 1 4 45.59 2.33 1.9899 -1 3 3 4 46.25 1.04 1.9629 -2 3 3 4 46.74 5.30 1.9436 1 5 2 4 47.08 3.35 1.9303 1 1 3 4 47.77 1.72 1.9041 1 7 0 4 48.09 1.87 1.8920 -5 0 1 2 48.14 2.52 1.8903 4 2 1 4 48.56 14.52 1.8747 1 2 3 4 48.57 5.40 1.8744 -1 6 2 4 48.58 2.49 1.8741 -5 1 1 4 48.75 16.80 1.8681 2 6 1 4 48.90 2.12 1.8627 3 2 2 4 49.25 10.06 1.8502 0 6 2 4 49.80 15.98 1.8311 -3 6 1 4 49.99 2.32 1.8245 -4 4 2 4 50.03 20.66 1.8231 -5 2 1 4 50.23 1.16 1.8164 3 6 0 4 50.55 13.62 1.8055 4 3 1 4 50.62 4.19 1.8033 0 4 3 4 50.96 3.82 1.7919 1 3 3 4 51.22 6.96 1.7837 -4 5 1 4 51.28 2.00 1.7814 3 3 2 4 51.47 1.71 1.7754 -2 7 1 4 51.78 2.04 1.7655 2 5 2 4 52.05 2.77 1.7571 1 6 2 4 52.17 1.89 1.7532 5 2 0 4 52.38 2.73 1.7467 -5 3 1 4 52.45 7.85 1.7447 -3 4 3 4 52.94 1.55 1.7295 2 1 3 4 53.31 14.04 1.7184 -1 5 3 4 53.65 7.99 1.7085 -3 6 2 4 53.80 6.32 1.7040 0 8 0 2 53.97 7.18 1.6989 -4 3 3 4 54.17 4.23 1.6931 -4 5 2 4 54.19 16.71 1.6925 1 4 3 4 54.31 11.02 1.6892 2 2 3 4 54.48 3.48 1.6843 -5 3 2 4 54.77 4.31 1.6762 0 5 3 4 54.82 3.40 1.6747 1 8 0 4 54.87 4.11 1.6733 3 6 1 4 55.28 1.21 1.6619 0 7 2 4 55.41 4.95 1.6582 -2 0 4 2 55.55 7.37 1.6542 -5 4 1 4 55.78 1.45 1.6480 -3 7 1 4 56.04 1.02 1.6409 4 0 2 2 56.05 3.11 1.6408 -2 7 2 4 56.18 2.91 1.6373 3 7 0 4 56.22 6.05 1.6363 -4 6 1 4 56.75 1.02 1.6222 2 6 2 4 56.98 6.11 1.6161 5 1 1 4 57.02 2.55 1.6151 -5 1 3 4 57.09 2.53 1.6134 -4 4 3 4 57.79 2.16 1.5955 4 5 1 4 57.79 8.00 1.5953 4 2 2 4 57.80 1.24 1.5952 2 8 0 4 58.19 3.73 1.5855 -1 6 3 4 58.29 1.87 1.5830 5 2 1 4 58.75 1.81 1.5717 -2 6 3 4 59.00 3.50 1.5655 -4 6 2 4 59.36 3.35 1.5569 -3 7 2 4 60.22 2.44 1.5366 -6 1 2 4 60.32 6.14 1.5344 -6 2 1 4 60.51 1.11 1.5302 3 7 1 4 60.81 6.26 1.5232 -4 0 4 2 61.21 2.32 1.5142 -3 6 3 4 61.23 3.53 1.5138 -4 1 4 4 61.30 6.48 1.5123 2 8 1 4 61.56 1.51 1.5064 3 2 3 4 61.73 2.56 1.5028 0 8 2 4 62.27 3.28 1.4911 -2 4 4 4 62.28 2.09 1.4908 2 7 2 4 62.31 3.86 1.4900 1 1 4 4 62.41 4.52 1.4880 -6 3 1 4 62.48 1.56 1.4866 -4 2 4 4 62.86 7.65 1.4785 4 4 2 4 62.98 1.13 1.4760 6 2 0 4 63.31 1.14 1.4689 2 5 3 4 63.32 5.49 1.4687 5 4 1 4 63.36 2.58 1.4679 -5 4 3 4 63.55 1.78 1.4640 -6 3 2 4 63.55 1.07 1.4640 1 2 4 4 63.91 3.10 1.4567 -3 4 4 4 64.17 1.45 1.4513 -2 7 3 4 64.90 4.57 1.4367 2 9 0 4 64.95 2.21 1.4358 0 7 3 4 65.56 1.46 1.4238 -3 8 2 4 65.58 1.04 1.4236 1 3 4 4 65.90 1.04 1.4174 -5 6 2 4 65.93 1.85 1.4167 -2 5 4 4 66.50 1.41 1.4061 5 1 2 4 66.65 1.10 1.4033 3 8 1 4 67.69 3.23 1.3842 5 2 2 4 68.05 4.06 1.3778 -1 9 2 4 69.93 1.82 1.3452 -6 5 2 4 70.37 3.47 1.3379 -4 8 2 4 70.66 1.29 1.3331 0 10 1 4 70.86 1.02 1.3298 -4 5 4 4 70.88 1.03 1.3295 0 8 3 4 71.15 2.58 1.3252 6 3 1 4 73.40 1.40 1.2900 -6 1 4 4 73.52 1.06 1.2881 4 8 1 4 75.08 1.33 1.2652 -4 6 4 4 75.85 1.12 1.2543 -5 5 4 4 76.32 1.93 1.2477 3 2 4 4 76.43 1.09 1.2462 -6 3 4 4 77.66 1.30 1.2295 -4 3 5 4 77.78 1.91 1.2279 -3 4 5 4 78.48 1.04 1.2187 2 8 3 4 78.83 1.40 1.2142 -3 9 3 4 79.97 1.35 1.1997 -5 6 4 4 80.18 2.34 1.1971 1 2 5 4 80.93 2.31 1.1879 1 7 4 4 81.08 1.11 1.1860 -1 8 4 4 81.38 1.54 1.1825 -5 9 1 4 81.56 2.16 1.1802 -4 10 1 4 82.37 1.03 1.1708 -3 8 4 4 83.13 1.01 1.1619 -8 2 2 4 83.49 1.35 1.1579 -6 7 3 4 84.42 1.62 1.1475 0 10 3 4 84.64 2.57 1.1451 -7 3 4 4 84.73 1.60 1.1440 5 7 2 4 85.30 1.76 1.1379 -8 3 1 4 85.51 1.29 1.1356 -4 8 4 4 86.30 2.45 1.1272 1 12 0 4 86.38 1.22 1.1263 6 5 2 4 87.15 1.15 1.1184 0 12 1 4 87.26 1.21 1.1173 1 10 3 4 87.51 1.15 1.1147 3 10 2 4 87.73 2.15 1.1125 -5 5 5 4 87.88 2.33 1.1110 2 3 5 4 88.01 1.76 1.1097 -8 3 3 4 88.10 1.63 1.1088 5 9 1 4 89.17 1.21 1.0982 -2 7 5 4 89.31 3.25 1.0968 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.