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: S1Se2-1 _database_code_amcsd 0004874 CELL PARAMETERS: 9.4193 13.6027 6.6311 90.000 106.483 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 814.713 Density (g/cm3): 3.852 MAX. ABS. INTENSITY / VOLUME**2: 18.67538046 RIR: 1.579 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.76 7.02 7.5245 1 1 0 4 13.02 8.70 6.8014 0 2 0 2 14.58 37.85 6.0734 -1 0 1 2 15.38 53.29 5.7603 0 1 1 4 15.98 26.54 5.5457 -1 1 1 4 16.31 100.00 5.4332 1 2 0 4 19.11 11.08 4.6448 0 2 1 4 19.22 4.32 4.6190 1 0 1 2 19.60 1.10 4.5301 -1 2 1 4 19.66 1.53 4.5161 2 0 0 2 20.72 2.28 4.2861 2 1 0 4 21.66 18.33 4.1028 -2 1 1 4 21.93 2.13 4.0523 1 3 0 4 23.28 3.26 3.8211 1 2 1 4 23.65 10.77 3.7622 2 2 0 4 24.11 5.39 3.6917 0 3 1 4 24.48 7.74 3.6365 -2 2 1 4 27.57 1.17 3.2357 1 3 1 4 27.76 5.30 3.2136 -1 1 2 4 27.88 35.75 3.1998 2 3 0 4 28.04 35.86 3.1826 1 4 0 4 28.07 43.41 3.1793 0 0 2 2 28.60 1.04 3.1213 -2 3 1 4 28.84 9.64 3.0959 0 1 2 4 28.99 40.38 3.0800 -3 0 1 2 29.74 9.64 3.0040 -3 1 1 4 29.79 18.30 2.9987 0 4 1 4 30.05 23.52 2.9742 -1 2 2 4 30.15 18.22 2.9638 -2 1 2 4 30.33 50.02 2.9470 2 2 1 4 30.41 1.85 2.9396 3 1 0 4 31.05 12.82 2.8802 0 2 2 4 31.90 18.14 2.8057 -3 2 1 4 32.28 2.33 2.7729 -2 2 2 4 32.52 14.68 2.7531 3 2 0 4 32.70 49.53 2.7385 1 4 1 4 32.97 14.55 2.7166 2 4 0 4 33.08 19.90 2.7081 1 1 2 4 33.59 8.10 2.6681 -2 4 1 4 33.80 1.68 2.6522 2 3 1 4 34.43 17.16 2.6049 1 5 0 4 34.45 4.89 2.6031 0 3 2 4 35.05 1.34 2.5602 1 2 2 4 35.23 3.70 2.5478 -3 3 1 4 35.38 16.53 2.5369 -3 1 2 4 35.80 12.36 2.5082 3 3 0 4 36.18 17.15 2.4828 -1 5 1 4 36.46 8.37 2.4641 3 0 1 2 37.08 7.10 2.4246 3 1 1 4 37.25 9.42 2.4141 -3 2 2 4 37.95 7.89 2.3709 -1 4 2 4 38.18 1.53 2.3570 2 4 1 4 38.64 1.30 2.3304 2 5 0 4 38.87 3.84 2.3167 3 2 1 4 39.00 1.50 2.3095 2 0 2 2 39.76 15.73 2.2671 0 6 0 2 39.93 2.33 2.2581 4 0 0 2 40.00 5.00 2.2542 3 4 0 4 40.19 8.54 2.2439 -3 3 2 4 40.50 2.52 2.2276 4 1 0 4 40.64 2.66 2.2197 -4 2 1 4 40.88 14.39 2.2075 -1 0 3 2 41.05 10.39 2.1989 1 6 0 4 41.28 3.78 2.1869 2 2 2 4 41.44 6.59 2.1790 -1 1 3 4 41.99 10.11 2.1516 -4 0 2 2 42.17 4.59 2.1430 4 2 0 4 42.17 12.86 2.1430 -2 1 3 4 42.54 3.80 2.1252 -4 1 2 4 42.56 4.45 2.1240 -1 6 1 4 43.20 2.48 2.0943 0 1 3 4 43.79 5.36 2.0674 -2 2 3 4 44.03 1.40 2.0566 -3 4 2 4 44.15 4.68 2.0514 -4 2 2 4 44.73 2.15 2.0261 2 6 0 4 44.77 2.82 2.0245 -3 0 3 2 44.91 1.96 2.0185 3 5 0 4 45.21 1.24 2.0058 -2 6 1 4 45.29 1.17 2.0024 -3 1 3 4 45.46 5.34 1.9954 3 4 1 4 45.71 2.08 1.9848 -1 3 3 4 46.86 4.30 1.9387 1 5 2 4 47.22 2.41 1.9249 1 1 3 4 47.88 1.26 1.8998 1 7 0 4 48.31 1.75 1.8839 -5 0 1 2 48.33 2.23 1.8831 4 2 1 4 48.70 4.97 1.8699 -1 6 2 4 48.71 11.64 1.8695 1 2 3 4 48.80 2.42 1.8660 -5 1 1 4 48.88 14.21 1.8631 2 6 1 4 49.07 1.68 1.8565 3 2 2 4 49.37 8.93 1.8459 0 6 2 4 49.95 13.40 1.8258 -3 6 1 4 50.17 2.06 1.8182 -4 4 2 4 50.25 15.65 1.8155 -5 2 1 4 50.39 1.31 1.8111 3 6 0 4 50.75 9.82 1.7989 4 3 1 4 50.76 3.51 1.7988 0 4 3 4 51.11 2.92 1.7870 1 3 3 4 51.40 5.62 1.7777 -4 5 1 4 51.46 1.87 1.7756 3 3 2 4 51.61 1.47 1.7710 -2 7 1 4 51.94 1.97 1.7606 2 5 2 4 52.19 2.26 1.7527 1 6 2 4 52.41 1.77 1.7459 5 2 0 4 52.61 2.36 1.7397 -5 3 1 4 52.61 6.45 1.7396 -3 4 3 4 53.11 1.51 1.7244 2 1 3 4 53.45 12.72 1.7142 -1 5 3 4 53.81 6.74 1.7037 -3 6 2 4 53.92 5.33 1.7003 0 8 0 2 54.17 5.92 1.6932 -4 3 3 4 54.35 14.23 1.6880 1 4 3 4 54.36 3.66 1.6876 -4 5 2 4 54.48 9.79 1.6842 2 2 3 4 54.71 3.07 1.6779 -5 3 2 4 54.91 3.40 1.6720 0 5 3 4 54.95 2.26 1.6710 1 8 0 4 55.04 3.57 1.6684 3 6 1 4 55.58 3.69 1.6536 -2 0 4 2 55.79 6.70 1.6479 -5 4 1 4 55.95 1.59 1.6435 -3 7 1 4 56.20 2.30 1.6368 -2 7 2 4 56.35 2.17 1.6327 3 7 0 4 56.41 4.47 1.6310 -4 6 1 4 56.91 1.03 1.6179 2 6 2 4 57.23 4.74 1.6096 5 1 1 4 57.25 1.73 1.6091 -5 1 3 4 57.29 1.92 1.6083 -4 4 3 4 58.00 1.88 1.5901 4 5 1 4 58.02 6.32 1.5897 4 2 2 4 58.34 3.14 1.5816 -1 6 3 4 58.54 1.75 1.5768 5 2 1 4 58.91 1.64 1.5677 -2 6 3 4 59.20 2.78 1.5606 -4 6 2 4 59.54 2.85 1.5527 -3 7 2 4 60.50 2.32 1.5302 -6 1 2 4 60.60 5.31 1.5279 -6 2 1 4 60.69 1.26 1.5259 3 7 1 4 61.03 4.98 1.5184 -4 0 4 2 61.40 2.05 1.5100 -3 6 3 4 61.45 2.82 1.5090 -4 1 4 4 61.46 5.10 1.5086 2 8 1 4 61.88 2.08 1.4994 0 8 2 4 62.45 2.15 1.4871 -2 4 4 4 62.46 1.57 1.4869 2 7 2 4 62.51 3.32 1.4859 1 1 4 4 62.69 3.93 1.4819 -6 3 1 4 62.70 1.23 1.4819 -4 2 4 4 63.09 6.78 1.4735 4 4 2 4 63.59 4.91 1.4632 5 4 1 4 63.61 1.99 1.4628 -5 4 3 4 63.83 1.51 1.4582 -6 3 2 4 64.11 2.38 1.4526 -3 4 4 4 64.35 1.36 1.4477 -2 7 3 4 65.08 4.02 1.4333 2 9 0 4 65.12 1.96 1.4324 0 7 3 4 65.76 1.07 1.4201 -3 8 2 4 65.78 1.13 1.4197 1 3 4 4 66.13 1.60 1.4130 -2 5 4 4 66.15 1.02 1.4126 -5 6 2 4 66.78 1.17 1.4008 5 1 2 4 66.85 1.01 1.3995 3 8 1 4 67.97 2.77 1.3791 5 2 2 4 68.22 3.07 1.3747 -1 9 2 4 70.23 1.45 1.3402 -6 5 2 4 70.60 2.97 1.3340 -4 8 2 4 70.84 1.18 1.3302 0 10 1 4 71.47 2.09 1.3200 6 3 1 4 73.71 1.27 1.2854 -6 1 4 4 76.59 1.55 1.2440 3 2 4 4 77.94 1.11 1.2258 -4 3 5 4 78.04 1.59 1.2245 -3 4 5 4 79.07 1.06 1.2111 -3 9 3 4 80.27 1.06 1.1960 -5 6 4 4 80.44 1.71 1.1939 1 2 5 4 81.18 1.83 1.1848 1 7 4 4 81.68 1.27 1.1789 -5 9 1 4 81.83 1.48 1.1771 -4 10 1 4 84.66 1.30 1.1448 0 10 3 4 85.03 2.08 1.1408 -7 3 4 4 85.07 1.16 1.1403 5 7 2 4 85.74 1.36 1.1331 -8 3 1 4 86.54 1.68 1.1247 1 12 0 4 88.06 1.72 1.1091 -5 5 5 4 88.20 1.57 1.1078 2 3 5 4 88.44 1.15 1.1054 5 9 1 4 88.45 1.32 1.1053 -8 3 3 4 89.67 2.57 1.0934 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.