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: S1Se1-16 _database_code_amcsd 0004871 CELL PARAMETERS: 9.3616 13.5833 6.6080 90.000 106.378 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 806.186 Density (g/cm3): 3.726 MAX. ABS. INTENSITY / VOLUME**2: 19.27951975 RIR: 1.685 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.81 7.20 7.4920 1 1 0 4 13.04 7.44 6.7916 0 2 0 2 14.66 39.47 6.0443 -1 0 1 2 15.42 48.35 5.7449 0 1 1 4 16.05 26.26 5.5223 -1 1 1 4 16.36 100.00 5.4173 1 2 0 4 19.15 10.61 4.6345 0 2 1 4 19.28 3.31 4.6039 1 0 1 2 19.66 1.23 4.5152 -1 2 1 4 20.83 3.17 4.2639 2 1 0 4 21.78 19.37 4.0799 -2 1 1 4 21.98 2.33 4.0431 1 3 0 4 23.34 3.53 3.8108 1 2 1 4 23.75 9.11 3.7460 2 2 0 4 24.15 5.44 3.6846 0 3 1 4 24.60 8.45 3.6194 -2 2 1 4 27.63 1.80 3.2282 1 3 1 4 27.86 2.97 3.2021 -1 1 2 4 27.98 33.79 3.1885 2 3 0 4 28.09 30.36 3.1764 1 4 0 4 28.15 43.08 3.1699 0 0 2 2 28.18 1.68 3.1672 2 1 1 4 28.71 1.25 3.1093 -2 3 1 4 28.92 8.08 3.0870 0 1 2 4 29.17 36.83 3.0609 -3 0 1 2 29.85 19.25 2.9935 0 4 1 4 29.92 8.25 2.9860 -3 1 1 4 30.15 23.44 2.9645 -1 2 2 4 30.30 16.68 2.9500 -2 1 2 4 30.44 50.75 2.9367 2 2 1 4 30.58 1.80 2.9237 3 1 0 4 31.14 11.21 2.8725 0 2 2 4 32.07 14.72 2.7906 -3 2 1 4 32.43 1.86 2.7611 -2 2 2 4 32.69 13.48 2.7395 3 2 0 4 32.77 45.96 2.7328 1 4 1 4 33.07 11.94 2.7086 2 4 0 4 33.18 17.13 2.7003 1 1 2 4 33.70 7.09 2.6596 -2 4 1 4 34.49 17.14 2.6003 1 5 0 4 34.54 3.52 2.5968 0 3 2 4 35.15 1.17 2.5532 1 2 2 4 35.40 2.94 2.5358 -3 3 1 4 35.58 14.33 2.5231 -3 1 2 4 35.96 12.93 2.4973 3 3 0 4 36.25 16.44 2.4779 -1 5 1 4 36.63 9.20 2.4533 3 0 1 2 37.24 5.84 2.4142 3 1 1 4 37.44 9.20 2.4019 -3 2 2 4 38.05 7.33 2.3648 -1 4 2 4 38.29 1.59 2.3506 2 4 1 4 39.04 3.23 2.3073 3 2 1 4 39.13 1.41 2.3019 2 0 2 2 39.82 14.45 2.2639 0 6 0 2 40.15 5.06 2.2457 3 4 0 4 40.16 2.15 2.2454 4 0 0 2 40.38 9.90 2.2336 -3 3 2 4 40.73 2.38 2.2154 4 1 0 4 40.89 2.29 2.2071 -4 2 1 4 41.02 13.12 2.2001 -1 0 3 2 41.12 10.24 2.1952 1 6 0 4 41.42 3.53 2.1801 2 2 2 4 41.58 6.74 2.1718 -1 1 3 4 42.26 10.07 2.1387 -4 0 2 2 42.35 12.36 2.1345 -2 1 3 4 42.40 4.81 2.1319 4 2 0 4 42.65 4.37 2.1201 -1 6 1 4 42.80 4.00 2.1127 -4 1 2 4 43.33 2.68 2.0882 0 1 3 4 43.96 5.10 2.0595 -2 2 3 4 44.22 1.58 2.0482 -3 4 2 4 44.41 4.44 2.0400 -4 2 2 4 44.83 2.43 2.0215 2 6 0 4 44.99 2.50 2.0148 -3 0 3 2 45.06 1.99 2.0119 3 5 0 4 45.32 1.15 2.0009 -2 6 1 4 45.51 1.19 1.9930 -3 1 3 4 45.62 4.92 1.9886 3 4 1 4 45.86 2.16 1.9788 -1 3 3 4 46.97 3.73 1.9345 1 5 2 4 47.36 1.93 1.9194 1 1 3 4 48.56 2.10 1.8748 4 2 1 4 48.63 1.81 1.8723 -5 0 1 2 48.81 5.10 1.8659 -1 6 2 4 48.85 10.13 1.8644 1 2 3 4 49.00 13.43 1.8589 2 6 1 4 49.12 2.66 1.8548 -5 1 1 4 49.25 1.56 1.8500 3 2 2 4 49.47 8.22 1.8423 0 6 2 4 50.12 12.05 1.8201 -3 6 1 4 50.43 1.88 1.8097 -4 4 2 4 50.55 1.55 1.8058 3 6 0 4 50.57 12.80 1.8050 -5 2 1 4 50.73 1.06 1.7995 -4 1 3 4 50.89 3.23 1.7942 0 4 3 4 50.98 8.02 1.7914 4 3 1 4 51.26 2.63 1.7823 1 3 3 4 51.63 5.16 1.7703 -4 5 1 4 51.65 1.82 1.7698 3 3 2 4 51.73 1.35 1.7671 -2 7 1 4 52.07 1.81 1.7562 2 5 2 4 52.30 2.09 1.7492 1 6 2 4 52.71 1.83 1.7366 5 2 0 4 52.84 5.77 1.7328 -3 4 3 4 52.92 2.34 1.7302 -5 3 1 4 53.28 1.54 1.7192 2 1 3 4 53.60 12.35 1.7097 -1 5 3 4 54.00 6.43 1.6982 -3 6 2 4 54.01 4.89 1.6979 0 8 0 2 54.45 5.18 1.6851 -4 3 3 4 54.50 13.21 1.6837 1 4 3 4 54.61 3.44 1.6804 -4 5 2 4 54.65 9.61 1.6793 2 2 3 4 55.03 2.89 1.6686 -5 3 2 4 55.04 1.81 1.6684 1 8 0 4 55.05 3.28 1.6680 0 5 3 4 55.21 3.21 1.6637 3 6 1 4 55.80 2.97 1.6475 -2 0 4 2 56.09 6.31 1.6396 -5 4 1 4 56.12 1.89 1.6389 -3 7 1 4 56.35 1.93 1.6329 -2 7 2 4 56.51 1.88 1.6284 3 7 0 4 56.64 3.89 1.6250 -4 6 1 4 57.06 1.17 1.6141 2 6 2 4 57.54 4.34 1.6019 5 1 1 4 57.57 1.72 1.6010 -4 4 3 4 57.61 1.31 1.5999 -5 1 3 4 58.23 1.79 1.5845 4 5 1 4 58.26 5.53 1.5836 4 2 2 4 58.50 3.00 1.5778 -1 6 3 4 58.84 1.72 1.5695 5 2 1 4 59.09 1.60 1.5633 -2 6 3 4 59.45 2.33 1.5547 -4 6 2 4 59.73 2.67 1.5481 -3 7 2 4 60.87 1.59 1.5219 3 7 1 4 60.92 2.31 1.5208 -6 1 2 4 61.00 4.92 1.5190 -6 2 1 4 61.35 4.52 1.5111 -4 0 4 2 61.60 4.52 1.5056 2 8 1 4 61.62 2.10 1.5051 -3 6 3 4 61.77 2.66 1.5018 -4 1 4 4 62.00 1.99 1.4967 0 8 2 4 62.61 1.47 1.4837 2 7 2 4 62.68 1.62 1.4823 -2 4 4 4 62.70 3.27 1.4817 1 1 4 4 63.02 1.05 1.4750 -4 2 4 4 63.09 4.00 1.4736 -6 3 1 4 63.34 6.77 1.4684 4 4 2 4 63.89 4.73 1.4571 5 4 1 4 63.94 1.01 1.4559 1 2 4 4 63.96 1.76 1.4556 -5 4 3 4 64.24 1.49 1.4499 -6 3 2 4 64.38 2.11 1.4471 -3 4 4 4 64.54 1.42 1.4439 -2 7 3 4 65.21 4.02 1.4306 2 9 0 4 65.28 1.90 1.4293 0 7 3 4 65.98 1.21 1.4158 1 3 4 4 66.36 1.61 1.4087 -2 5 4 4 66.47 1.14 1.4065 -5 6 2 4 67.03 1.11 1.3961 3 8 1 4 67.10 1.10 1.3950 5 1 2 4 68.29 2.71 1.3734 5 2 2 4 68.36 2.76 1.3722 -1 9 2 4 69.63 1.16 1.3502 -2 9 2 4 70.64 1.36 1.3334 -6 5 2 4 70.86 2.95 1.3298 -4 8 2 4 70.96 1.24 1.3282 0 10 1 4 71.43 1.11 1.3205 -4 5 4 4 71.76 1.05 1.3154 -2 1 5 4 71.86 1.97 1.3138 6 3 1 4 74.02 1.01 1.2807 4 8 1 4 74.19 1.32 1.2782 -6 1 4 4 75.29 1.02 1.2622 -4 1 5 4 76.87 1.53 1.2402 3 2 4 4 78.32 1.10 1.2208 -4 3 5 4 78.37 1.67 1.2201 -3 4 5 4 80.68 1.03 1.1910 -5 6 4 4 80.72 1.52 1.1905 1 2 5 4 81.41 1.71 1.1821 1 7 4 4 82.00 1.30 1.1750 -5 9 1 4 82.09 1.18 1.1740 -4 10 1 4 84.86 1.33 1.1427 0 10 3 4 85.41 1.01 1.1366 5 7 2 4 85.61 2.03 1.1345 -7 3 4 4 86.35 1.38 1.1267 -8 3 1 4 86.70 1.38 1.1231 1 12 0 4 88.51 1.37 1.1047 2 3 5 4 88.53 1.69 1.1045 -5 5 5 4 88.77 1.06 1.1021 5 9 1 4 89.12 1.25 1.0987 -8 3 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.