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: S1Se1-15 _database_code_amcsd 0004870 CELL PARAMETERS: 9.3828 13.5837 6.6182 90.000 106.484 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 808.842 Density (g/cm3): 3.748 MAX. ABS. INTENSITY / VOLUME**2: 19.29769507 RIR: 1.676 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.80 7.27 7.5010 1 1 0 4 13.03 7.10 6.7919 0 2 0 2 14.62 38.80 6.0585 -1 0 1 2 15.41 49.24 5.7497 0 1 1 4 16.02 25.83 5.5331 -1 1 1 4 16.35 100.00 5.4207 1 2 0 4 19.14 10.72 4.6370 0 2 1 4 19.27 3.57 4.6067 1 0 1 2 19.64 1.14 4.5211 -1 2 1 4 20.80 2.93 4.2705 2 1 0 4 21.73 19.29 4.0898 -2 1 1 4 21.98 2.23 4.0446 1 3 0 4 23.33 3.28 3.8125 1 2 1 4 23.72 9.21 3.7505 2 2 0 4 24.15 5.36 3.6859 0 3 1 4 24.55 8.41 3.6263 -2 2 1 4 27.62 1.72 3.2292 1 3 1 4 27.82 3.23 3.2073 -1 1 2 4 27.96 34.06 3.1913 2 3 0 4 28.09 31.03 3.1771 1 4 0 4 28.12 42.84 3.1731 0 0 2 2 28.15 1.55 3.1696 2 1 1 4 28.67 1.30 3.1137 -2 3 1 4 28.90 8.43 3.0899 0 1 2 4 29.10 36.99 3.0687 -3 0 1 2 29.84 19.13 2.9942 0 4 1 4 29.85 8.57 2.9932 -3 1 1 4 30.10 23.37 2.9686 -1 2 2 4 30.23 17.19 2.9566 -2 1 2 4 30.42 50.27 2.9386 2 2 1 4 30.53 1.75 2.9285 3 1 0 4 31.11 11.39 2.8748 0 2 2 4 32.00 15.21 2.7965 -3 2 1 4 32.36 1.96 2.7665 -2 2 2 4 32.64 13.63 2.7435 3 2 0 4 32.76 46.17 2.7335 1 4 1 4 33.05 12.35 2.7104 2 4 0 4 33.16 17.27 2.7020 1 1 2 4 33.66 7.17 2.6624 -2 4 1 4 34.49 17.09 2.6008 1 5 0 4 34.52 3.65 2.5985 0 3 2 4 35.13 1.20 2.5546 1 2 2 4 35.33 3.05 2.5402 -3 3 1 4 35.49 14.58 2.5295 -3 1 2 4 35.92 12.88 2.5003 3 3 0 4 36.24 16.51 2.4789 -1 5 1 4 36.59 9.04 2.4557 3 0 1 2 37.21 6.04 2.4165 3 1 1 4 37.35 9.27 2.4074 -3 2 2 4 38.02 7.36 2.3669 -1 4 2 4 38.27 1.52 2.3516 2 4 1 4 38.72 1.02 2.3256 2 5 0 4 39.00 3.31 2.3094 3 2 1 4 39.11 1.40 2.3033 2 0 2 2 39.82 14.50 2.2640 0 6 0 2 40.09 2.16 2.2493 4 0 0 2 40.11 5.06 2.2479 3 4 0 4 40.30 9.77 2.2381 -3 3 2 4 40.66 2.40 2.2191 4 1 0 4 40.80 2.37 2.2118 -4 2 1 4 40.96 13.30 2.2032 -1 0 3 2 41.11 10.14 2.1955 1 6 0 4 41.39 3.60 2.1813 2 2 2 4 41.52 6.66 2.1748 -1 1 3 4 42.14 10.10 2.1444 -4 0 2 2 42.26 12.38 2.1385 -2 1 3 4 42.33 4.79 2.1352 4 2 0 4 42.63 4.33 2.1207 -1 6 1 4 42.69 3.96 2.1182 -4 1 2 4 43.29 2.73 2.0902 0 1 3 4 43.88 5.17 2.0632 -2 2 3 4 44.14 1.55 2.0516 -3 4 2 4 44.30 4.50 2.0449 -4 2 2 4 44.82 2.40 2.0223 2 6 0 4 44.88 2.57 2.0195 -3 0 3 2 45.02 2.03 2.0135 3 5 0 4 45.29 1.16 2.0021 -2 6 1 4 45.40 1.22 1.9975 -3 1 3 4 45.59 5.01 1.9899 3 4 1 4 45.80 2.16 1.9811 -1 3 3 4 46.95 3.74 1.9351 1 5 2 4 47.33 1.97 1.9207 1 1 3 4 47.71 1.00 1.9062 2 4 2 4 47.96 1.02 1.8969 1 7 0 4 48.51 2.11 1.8767 4 2 1 4 48.51 1.83 1.8766 -5 0 1 2 48.78 5.08 1.8670 -1 6 2 4 48.82 10.32 1.8656 1 2 3 4 48.99 13.55 1.8594 2 6 1 4 49.00 2.65 1.8589 -5 1 1 4 49.22 1.56 1.8512 3 2 2 4 49.46 8.27 1.8430 0 6 2 4 50.07 12.22 1.8218 -3 6 1 4 50.32 1.92 1.8132 -4 4 2 4 50.45 13.17 1.8088 -5 2 1 4 50.51 1.54 1.8069 3 6 0 4 50.60 1.06 1.8040 -4 1 3 4 50.85 3.25 1.7955 0 4 3 4 50.93 8.16 1.7931 4 3 1 4 51.22 2.67 1.7834 1 3 3 4 51.56 5.19 1.7727 -4 5 1 4 51.62 1.84 1.7708 3 3 2 4 51.70 1.37 1.7680 -2 7 1 4 52.05 1.81 1.7569 2 5 2 4 52.29 2.13 1.7497 1 6 2 4 52.62 1.84 1.7394 5 2 0 4 52.74 5.84 1.7358 -3 4 3 4 52.81 2.35 1.7336 -5 3 1 4 53.25 1.52 1.7202 2 1 3 4 53.55 12.43 1.7112 -1 5 3 4 53.93 6.57 1.7001 -3 6 2 4 54.00 4.94 1.6980 0 8 0 2 54.32 5.28 1.6888 -4 3 3 4 54.47 13.31 1.6847 1 4 3 4 54.52 3.44 1.6832 -4 5 2 4 54.62 9.69 1.6803 2 2 3 4 54.90 2.96 1.6724 -5 3 2 4 55.02 3.28 1.6691 0 5 3 4 55.04 1.85 1.6685 1 8 0 4 55.18 3.24 1.6645 3 6 1 4 55.70 3.07 1.6503 -2 0 4 2 55.99 6.42 1.6425 -5 4 1 4 56.07 1.89 1.6401 -3 7 1 4 56.30 1.93 1.6340 -2 7 2 4 56.48 1.90 1.6292 3 7 0 4 56.57 3.94 1.6269 -4 6 1 4 57.04 1.16 1.6146 2 6 2 4 57.44 1.76 1.6042 -4 4 3 4 57.45 1.35 1.6041 -5 1 3 4 57.46 4.39 1.6038 5 1 1 4 58.18 1.77 1.5856 4 5 1 4 58.22 5.60 1.5848 4 2 2 4 58.45 3.02 1.5790 -1 6 3 4 58.76 1.75 1.5713 5 2 1 4 59.03 1.61 1.5649 -2 6 3 4 59.36 2.38 1.5569 -4 6 2 4 59.67 2.70 1.5496 -3 7 2 4 60.75 2.34 1.5246 -6 1 2 4 60.84 1.57 1.5225 3 7 1 4 60.86 5.01 1.5222 -6 2 1 4 61.19 4.60 1.5146 -4 0 4 2 61.53 2.12 1.5070 -3 6 3 4 61.59 4.60 1.5059 2 8 1 4 61.61 2.69 1.5053 -4 1 4 4 61.99 2.01 1.4971 0 8 2 4 62.58 1.68 1.4843 -2 4 4 4 62.59 1.48 1.4841 2 7 2 4 62.65 3.26 1.4828 1 1 4 4 62.86 1.07 1.4783 -4 2 4 4 62.95 4.02 1.4765 -6 3 1 4 63.29 6.80 1.4693 4 4 2 4 63.81 1.78 1.4588 -5 4 3 4 63.82 4.81 1.4585 5 4 1 4 63.89 1.03 1.4570 1 2 4 4 64.08 1.52 1.4532 -6 3 2 4 64.26 2.14 1.4496 -3 4 4 4 64.48 1.41 1.4452 -2 7 3 4 65.20 4.04 1.4309 2 9 0 4 65.25 1.93 1.4300 0 7 3 4 65.93 1.22 1.4168 1 3 4 4 66.26 1.62 1.4105 -2 5 4 4 66.35 1.14 1.4088 -5 6 2 4 67.01 1.11 1.3966 3 8 1 4 67.03 1.09 1.3962 5 1 2 4 68.23 2.74 1.3746 5 2 2 4 68.34 2.80 1.3726 -1 9 2 4 69.59 1.16 1.3509 -2 9 2 4 70.49 1.39 1.3360 -6 5 2 4 70.78 2.98 1.3312 -4 8 2 4 70.96 1.25 1.3283 0 10 1 4 71.29 1.12 1.3229 -4 5 4 4 71.63 1.04 1.3174 -2 1 5 4 71.76 1.99 1.3154 6 3 1 4 73.96 1.35 1.2815 -6 1 4 4 73.98 1.02 1.2813 4 8 1 4 75.10 1.05 1.2649 -4 1 5 4 76.81 1.54 1.2409 3 2 4 4 78.14 1.12 1.2232 -4 3 5 4 78.22 1.69 1.2221 -3 4 5 4 80.50 1.03 1.1932 -5 6 4 4 80.64 1.55 1.1914 1 2 5 4 81.36 1.72 1.1827 1 7 4 4 81.91 1.31 1.1761 -5 9 1 4 82.03 1.20 1.1747 -4 10 1 4 84.83 1.32 1.1430 0 10 3 4 85.35 2.06 1.1373 -7 3 4 4 85.35 1.01 1.1373 5 7 2 4 86.14 1.41 1.1289 -8 3 1 4 86.69 1.40 1.1231 1 12 0 4 88.32 1.72 1.1066 -5 5 5 4 88.43 1.37 1.1054 2 3 5 4 88.71 1.07 1.1027 5 9 1 4 88.84 1.27 1.1014 -8 3 3 4 89.96 2.63 1.0907 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.