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: S1Se0-5 _database_code_amcsd 0004859 CELL PARAMETERS: 9.3453 13.5885 6.5973 90.000 106.460 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 803.449 Density (g/cm3): 3.537 MAX. ABS. INTENSITY / VOLUME**2: 19.98486145 RIR: 1.840 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.83 7.89 7.4816 1 1 0 4 13.03 5.72 6.7943 0 2 0 2 14.67 41.38 6.0371 -1 0 1 2 15.45 44.24 5.7357 0 1 1 4 16.06 25.96 5.5171 -1 1 1 4 16.37 100.00 5.4143 1 2 0 4 19.17 10.04 4.6302 0 2 1 4 19.33 2.14 4.5920 1 0 1 2 19.67 1.20 4.5129 -1 2 1 4 20.87 4.44 4.2557 2 1 0 4 21.81 21.38 4.0754 -2 1 1 4 21.99 2.94 4.0425 1 3 0 4 23.38 3.87 3.8045 1 2 1 4 23.79 7.19 3.7408 2 2 0 4 24.16 5.11 3.6830 0 3 1 4 24.62 9.21 3.6166 -2 2 1 4 27.66 2.48 3.2247 1 3 1 4 27.90 1.10 3.1976 -1 1 2 4 28.01 30.76 3.1856 2 3 0 4 28.09 24.44 3.1766 1 4 0 4 28.21 41.73 3.1635 0 0 2 2 28.25 3.03 3.1594 2 1 1 4 28.73 1.61 3.1078 -2 3 1 4 28.98 6.54 3.0811 0 1 2 4 29.22 32.70 3.0564 -3 0 1 2 29.85 19.78 2.9930 0 4 1 4 29.97 6.74 2.9819 -3 1 1 4 30.18 22.94 2.9611 -1 2 2 4 30.33 15.08 2.9467 -2 1 2 4 30.50 50.47 2.9307 2 2 1 4 30.64 1.58 2.9178 3 1 0 4 31.19 8.70 2.8678 0 2 2 4 32.11 10.93 2.7874 -3 2 1 4 32.46 1.41 2.7586 -2 2 2 4 32.75 12.04 2.7347 3 2 0 4 32.79 40.99 2.7310 1 4 1 4 33.09 9.62 2.7072 2 4 0 4 33.26 14.03 2.6941 1 1 2 4 33.71 5.92 2.6589 -2 4 1 4 34.49 16.67 2.6008 1 5 0 4 34.58 2.15 2.5935 0 3 2 4 35.43 2.16 2.5336 -3 3 1 4 35.62 12.35 2.5204 -3 1 2 4 35.75 1.71 2.5119 -2 3 2 4 36.01 13.38 2.4939 3 3 0 4 36.25 15.52 2.4782 -1 5 1 4 36.73 9.48 2.4470 3 0 1 2 37.34 4.39 2.4082 3 1 1 4 37.48 8.96 2.3996 -3 2 2 4 38.08 6.58 2.3633 -1 4 2 4 38.34 1.68 2.3478 2 4 1 4 39.13 2.61 2.3022 3 2 1 4 39.24 1.35 2.2960 2 0 2 2 39.80 13.30 2.2648 0 6 0 2 40.20 4.98 2.2434 3 4 0 4 40.25 1.91 2.2406 4 0 0 2 40.41 11.08 2.2319 -3 3 2 4 40.82 2.08 2.2107 4 1 0 4 40.95 1.93 2.2040 -4 2 1 4 41.10 11.88 2.1963 -1 0 3 2 41.11 9.44 2.1957 1 6 0 4 41.52 3.10 2.1751 2 2 2 4 41.66 6.82 2.1682 -1 1 3 4 42.31 9.69 2.1360 -4 0 2 2 42.40 11.34 2.1316 -2 1 3 4 42.48 4.76 2.1279 4 2 0 4 42.64 4.13 2.1205 -1 6 1 4 42.86 4.07 2.1101 -4 1 2 4 43.42 2.88 2.0840 0 1 3 4 44.02 4.69 2.0570 -2 2 3 4 44.25 1.76 2.0470 -3 4 2 4 44.46 4.16 2.0377 -4 2 2 4 44.84 2.59 2.0213 2 6 0 4 45.05 2.00 2.0124 -3 0 3 2 45.10 2.08 2.0103 3 5 0 4 45.32 1.00 2.0010 -2 6 1 4 45.57 1.24 1.9907 -3 1 3 4 45.69 4.46 1.9855 3 4 1 4 45.92 2.15 1.9763 -1 3 3 4 47.02 3.15 1.9326 1 5 2 4 47.48 1.45 1.9150 1 1 3 4 48.68 2.00 1.8705 4 2 1 4 48.72 1.89 1.8691 -5 0 1 2 48.82 4.80 1.8655 -1 6 2 4 48.96 8.33 1.8604 1 2 3 4 49.03 12.18 1.8578 2 6 1 4 49.09 1.03 1.8558 0 7 1 4 49.21 2.72 1.8516 -5 1 1 4 49.38 1.38 1.8455 3 2 2 4 49.50 7.28 1.8415 0 6 2 4 50.13 10.53 1.8196 -3 6 1 4 50.47 1.71 1.8083 -4 4 2 4 50.57 1.79 1.8048 3 6 0 4 50.65 10.07 1.8021 -5 2 1 4 50.79 1.36 1.7975 -4 1 3 4 50.97 2.88 1.7918 0 4 3 4 51.09 6.28 1.7877 4 3 1 4 51.36 2.29 1.7789 1 3 3 4 51.68 4.68 1.7689 -4 5 1 4 51.72 1.25 1.7673 -2 7 1 4 51.77 1.77 1.7659 3 3 2 4 52.15 1.58 1.7539 2 5 2 4 52.34 1.81 1.7479 1 6 2 4 52.82 1.77 1.7332 5 2 0 4 52.88 4.81 1.7314 -3 4 3 4 53.00 2.28 1.7277 -5 3 1 4 53.43 1.58 1.7150 2 1 3 4 53.65 11.63 1.7082 -1 5 3 4 53.98 4.34 1.6986 0 8 0 2 54.02 6.04 1.6977 -3 6 2 4 54.51 4.28 1.6835 -4 3 3 4 54.60 12.01 1.6809 1 4 3 4 54.65 3.11 1.6794 -4 5 2 4 54.79 8.99 1.6754 2 2 3 4 55.03 1.29 1.6689 1 8 0 4 55.10 2.94 1.6667 -5 3 2 4 55.12 2.94 1.6661 0 5 3 4 55.27 2.80 1.6621 3 6 1 4 55.89 2.32 1.6450 -2 0 4 2 56.13 2.20 1.6386 -3 7 1 4 56.17 5.89 1.6376 -5 4 1 4 56.35 1.45 1.6327 -2 7 2 4 56.54 1.57 1.6278 3 7 0 4 56.68 3.06 1.6240 -4 6 1 4 57.13 1.32 1.6123 2 6 2 4 57.62 1.40 1.5997 -4 4 3 4 57.69 3.91 1.5980 5 1 1 4 58.33 1.62 1.5820 4 5 1 4 58.42 4.72 1.5797 4 2 2 4 58.54 2.85 1.5767 -1 6 3 4 58.99 1.65 1.5658 5 2 1 4 59.13 1.52 1.5624 -2 6 3 4 59.49 1.89 1.5539 -4 6 2 4 59.74 2.50 1.5479 -3 7 2 4 60.92 1.86 1.5208 3 7 1 4 61.01 2.35 1.5186 -6 1 2 4 61.11 4.46 1.5164 -6 2 1 4 61.43 3.99 1.5093 -4 0 4 2 61.62 3.93 1.5052 2 8 1 4 61.66 2.02 1.5043 -3 6 3 4 61.85 2.44 1.5001 -4 1 4 4 62.02 1.84 1.4965 0 8 2 4 62.67 1.29 1.4824 2 7 2 4 62.76 1.12 1.4805 -2 4 4 4 62.86 2.94 1.4784 1 1 4 4 63.20 3.91 1.4713 -6 3 1 4 63.49 6.50 1.4653 4 4 2 4 64.02 1.50 1.4543 -5 4 3 4 64.03 4.31 1.4543 5 4 1 4 64.10 1.03 1.4528 1 2 4 4 64.34 1.39 1.4480 -6 3 2 4 64.45 1.80 1.4457 -3 4 4 4 64.57 1.42 1.4433 -2 7 3 4 65.20 3.94 1.4308 2 9 0 4 65.33 1.82 1.4283 0 7 3 4 66.13 1.32 1.4130 1 3 4 4 66.43 1.59 1.4073 -2 5 4 4 66.53 1.24 1.4055 -5 6 2 4 67.08 1.15 1.3953 3 8 1 4 67.29 1.02 1.3914 5 1 2 4 68.36 2.42 1.3722 -1 9 2 4 68.49 2.54 1.3700 5 2 2 4 69.63 1.29 1.3503 -2 9 2 4 70.72 1.23 1.3321 -6 5 2 4 70.88 2.82 1.3295 -4 8 2 4 70.94 1.25 1.3286 0 10 1 4 71.50 1.16 1.3195 -4 5 4 4 71.89 1.04 1.3133 -2 1 5 4 72.04 1.83 1.3109 6 3 1 4 74.29 1.31 1.2768 -6 1 4 4 75.40 1.18 1.2606 -4 1 5 4 77.09 1.43 1.2372 3 2 4 4 78.48 1.66 1.2187 -3 4 5 4 80.93 1.31 1.1879 1 2 5 4 81.54 1.50 1.1806 1 7 4 4 82.05 1.27 1.1745 -5 9 1 4 84.89 1.27 1.1423 0 10 3 4 85.73 1.83 1.1333 -7 3 4 4 86.66 1.08 1.1234 1 12 0 4 88.64 1.59 1.1034 -5 5 5 4 88.75 1.13 1.1023 2 3 5 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.