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: S1Se1-18 _database_code_amcsd 0004873 CELL PARAMETERS: 9.3527 13.5795 6.6069 90.000 106.382 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 805.044 Density (g/cm3): 3.673 MAX. ABS. INTENSITY / VOLUME**2: 19.40841578 RIR: 1.720 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.82 7.50 7.4863 1 1 0 4 13.04 6.43 6.7898 0 2 0 2 14.66 39.78 6.0422 -1 0 1 2 15.43 46.91 5.7437 0 1 1 4 16.06 26.13 5.5204 -1 1 1 4 16.37 100.00 5.4144 1 2 0 4 19.16 10.54 4.6334 0 2 1 4 19.29 2.97 4.6016 1 0 1 2 19.67 1.24 4.5137 -1 2 1 4 20.85 3.44 4.2600 2 1 0 4 21.80 20.05 4.0772 -2 1 1 4 21.99 2.53 4.0414 1 3 0 4 23.35 3.57 3.8092 1 2 1 4 23.77 8.44 3.7431 2 2 0 4 24.16 5.40 3.6837 0 3 1 4 24.61 8.63 3.6173 -2 2 1 4 27.64 1.95 3.2269 1 3 1 4 27.87 2.31 3.2015 -1 1 2 4 28.00 33.13 3.1865 2 3 0 4 28.10 28.99 3.1752 1 4 0 4 28.16 42.69 3.1693 0 0 2 2 28.20 2.07 3.1650 2 1 1 4 28.73 1.36 3.1077 -2 3 1 4 28.93 7.77 3.0864 0 1 2 4 29.20 35.58 3.0583 -3 0 1 2 29.86 19.48 2.9927 0 4 1 4 29.95 7.86 2.9836 -3 1 1 4 30.15 23.22 2.9639 -1 2 2 4 30.31 16.41 2.9490 -2 1 2 4 30.46 50.82 2.9349 2 2 1 4 30.61 1.71 2.9210 3 1 0 4 31.14 10.63 2.8719 0 2 2 4 32.10 13.61 2.7885 -3 2 1 4 32.44 1.77 2.7602 -2 2 2 4 32.72 13.05 2.7372 3 2 0 4 32.78 44.47 2.7319 1 4 1 4 33.09 11.17 2.7072 2 4 0 4 33.19 16.27 2.6994 1 1 2 4 33.72 6.76 2.6584 -2 4 1 4 34.50 16.85 2.5994 1 5 0 4 34.55 3.11 2.5962 0 3 2 4 35.16 1.12 2.5524 1 2 2 4 35.42 2.74 2.5341 -3 3 1 4 35.60 13.53 2.5217 -3 1 2 4 35.73 1.04 2.5128 -2 3 2 4 35.99 13.10 2.4954 3 3 0 4 36.26 16.19 2.4772 -1 5 1 4 36.66 9.36 2.4513 3 0 1 2 37.27 5.48 2.4123 3 1 1 4 37.46 9.23 2.4006 -3 2 2 4 38.06 7.19 2.3642 -1 4 2 4 38.31 1.63 2.3494 2 4 1 4 39.07 3.06 2.3056 3 2 1 4 39.15 1.40 2.3008 2 0 2 2 39.83 14.01 2.2633 0 6 0 2 40.18 5.07 2.2442 3 4 0 4 40.20 2.10 2.2433 4 0 0 2 40.40 10.30 2.2325 -3 3 2 4 40.77 2.30 2.2133 4 1 0 4 40.92 2.22 2.2052 -4 2 1 4 41.03 12.78 2.1997 -1 0 3 2 41.13 10.03 2.1945 1 6 0 4 41.44 3.48 2.1791 2 2 2 4 41.59 6.75 2.1714 -1 1 3 4 42.29 9.97 2.1372 -4 0 2 2 42.36 12.07 2.1340 -2 1 3 4 42.44 4.76 2.1300 4 2 0 4 42.66 4.34 2.1194 -1 6 1 4 42.83 3.93 2.1112 -4 1 2 4 43.34 2.79 2.0878 0 1 3 4 43.97 5.03 2.0591 -2 2 3 4 44.24 1.66 2.0472 -3 4 2 4 44.44 4.32 2.0386 -4 2 2 4 44.85 2.47 2.0207 2 6 0 4 45.01 2.42 2.0141 -3 0 3 2 45.09 2.02 2.0107 3 5 0 4 45.34 1.12 2.0002 -2 6 1 4 45.53 1.22 1.9923 -3 1 3 4 45.65 4.80 1.9874 3 4 1 4 45.87 2.09 1.9785 -1 3 3 4 46.99 3.51 1.9339 1 5 2 4 47.38 1.76 1.9188 1 1 3 4 48.60 2.06 1.8733 4 2 1 4 48.68 1.86 1.8705 -5 0 1 2 48.82 5.03 1.8654 -1 6 2 4 48.86 9.63 1.8638 1 2 3 4 49.02 13.08 1.8581 2 6 1 4 49.17 2.68 1.8530 -5 1 1 4 49.29 1.50 1.8489 3 2 2 4 49.49 8.02 1.8418 0 6 2 4 50.14 11.55 1.8193 -3 6 1 4 50.46 1.84 1.8086 -4 4 2 4 50.57 1.62 1.8048 3 6 0 4 50.62 11.98 1.8034 -5 2 1 4 50.76 1.14 1.7986 -4 1 3 4 50.90 3.12 1.7938 0 4 3 4 51.02 7.47 1.7900 4 3 1 4 51.27 2.54 1.7818 1 3 3 4 51.67 4.93 1.7691 -4 5 1 4 51.68 1.81 1.7687 3 3 2 4 51.75 1.33 1.7665 -2 7 1 4 52.10 1.78 1.7555 2 5 2 4 52.32 2.07 1.7487 1 6 2 4 52.76 1.82 1.7350 5 2 0 4 52.85 5.50 1.7322 -3 4 3 4 52.97 2.29 1.7287 -5 3 1 4 53.31 1.52 1.7185 2 1 3 4 53.62 12.13 1.7094 -1 5 3 4 54.02 6.40 1.6975 -3 6 2 4 54.02 4.69 1.6974 0 8 0 2 54.48 4.93 1.6843 -4 3 3 4 54.52 12.74 1.6833 1 4 3 4 54.65 3.35 1.6795 -4 5 2 4 54.68 9.47 1.6787 2 2 3 4 55.06 1.66 1.6679 1 8 0 4 55.07 3.13 1.6677 0 5 3 4 55.08 2.89 1.6674 -5 3 2 4 55.24 3.12 1.6629 3 6 1 4 55.81 2.80 1.6472 -2 0 4 2 56.14 6.14 1.6383 -5 4 1 4 56.15 1.93 1.6382 -3 7 1 4 56.36 1.75 1.6324 -2 7 2 4 56.54 1.81 1.6276 3 7 0 4 56.68 3.67 1.6240 -4 6 1 4 57.08 1.18 1.6135 2 6 2 4 57.59 4.22 1.6005 5 1 1 4 57.60 1.65 1.6003 -4 4 3 4 57.65 1.19 1.5989 -5 1 3 4 58.27 1.68 1.5834 4 5 1 4 58.31 5.28 1.5825 4 2 2 4 58.51 2.91 1.5774 -1 6 3 4 58.89 1.69 1.5681 5 2 1 4 59.11 1.56 1.5629 -2 6 3 4 59.49 2.22 1.5539 -4 6 2 4 59.76 2.60 1.5475 -3 7 2 4 60.90 1.64 1.5212 3 7 1 4 60.97 2.31 1.5195 -6 1 2 4 61.06 4.77 1.5176 -6 2 1 4 61.38 4.34 1.5105 -4 0 4 2 61.62 4.39 1.5050 2 8 1 4 61.65 2.05 1.5046 -3 6 3 4 61.80 2.56 1.5013 -4 1 4 4 62.02 1.91 1.4963 0 8 2 4 62.64 1.41 1.4831 2 7 2 4 62.69 1.49 1.4820 -2 4 4 4 62.72 3.17 1.4813 1 1 4 4 63.15 3.94 1.4723 -6 3 1 4 63.38 6.65 1.4674 4 4 2 4 63.94 4.63 1.4559 5 4 1 4 63.96 1.04 1.4556 1 2 4 4 64.00 1.68 1.4548 -5 4 3 4 64.30 1.46 1.4487 -6 3 2 4 64.40 2.03 1.4468 -3 4 4 4 64.56 1.39 1.4435 -2 7 3 4 65.24 3.96 1.4301 2 9 0 4 65.30 1.88 1.4290 0 7 3 4 66.00 1.21 1.4155 1 3 4 4 66.37 1.58 1.4084 -2 5 4 4 66.52 1.14 1.4057 -5 6 2 4 67.07 1.11 1.3955 3 8 1 4 67.15 1.05 1.3939 5 1 2 4 68.35 2.66 1.3724 5 2 2 4 68.39 2.65 1.3718 -1 9 2 4 69.66 1.19 1.3498 -2 9 2 4 70.70 1.31 1.3325 -6 5 2 4 70.90 2.86 1.3292 -4 8 2 4 70.98 1.25 1.3278 0 10 1 4 71.46 1.11 1.3201 -4 5 4 4 71.77 1.05 1.3152 -2 1 5 4 71.93 1.92 1.3127 6 3 1 4 74.07 1.01 1.2800 4 8 1 4 74.24 1.32 1.2775 -6 1 4 4 75.31 1.05 1.2619 -4 1 5 4 76.91 1.48 1.2397 3 2 4 4 78.35 1.08 1.2204 -4 3 5 4 78.39 1.63 1.2199 -3 4 5 4 80.74 1.46 1.1902 1 2 5 4 81.44 1.65 1.1818 1 7 4 4 82.06 1.28 1.1744 -5 9 1 4 82.14 1.12 1.1734 -4 10 1 4 84.88 1.28 1.1424 0 10 3 4 85.68 1.96 1.1338 -7 3 4 4 86.73 1.31 1.1227 1 12 0 4 88.54 1.30 1.1044 2 3 5 4 88.57 1.65 1.1041 -5 5 5 4 88.84 1.02 1.1015 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.