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: S1Se1-14 _database_code_amcsd 0004869 CELL PARAMETERS: 9.3874 13.6002 6.6233 90.000 106.444 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 811.012 Density (g/cm3): 3.750 MAX. ABS. INTENSITY / VOLUME**2: 19.09444256 RIR: 1.658 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.79 6.87 7.5074 1 1 0 4 13.02 7.14 6.8001 0 2 0 2 14.61 40.00 6.0613 -1 0 1 2 15.40 48.63 5.7555 0 1 1 4 16.01 25.92 5.5364 -1 1 1 4 16.34 100.00 5.4263 1 2 0 4 19.12 10.68 4.6420 0 2 1 4 19.25 3.69 4.6118 1 0 1 2 19.62 1.20 4.5247 -1 2 1 4 20.78 2.85 4.2737 2 1 0 4 21.72 19.00 4.0915 -2 1 1 4 21.95 2.32 4.0491 1 3 0 4 23.31 3.52 3.8168 1 2 1 4 23.70 9.33 3.7537 2 2 0 4 24.12 5.48 3.6901 0 3 1 4 24.53 8.36 3.6285 -2 2 1 4 27.59 1.64 3.2330 1 3 1 4 27.80 3.50 3.2096 -1 1 2 4 27.93 34.16 3.1943 2 3 0 4 28.05 31.95 3.1808 1 4 0 4 28.09 43.45 3.1762 0 0 2 2 28.12 1.47 3.1729 2 1 1 4 28.65 1.16 3.1161 -2 3 1 4 28.87 8.68 3.0930 0 1 2 4 29.09 37.68 3.0699 -3 0 1 2 29.80 19.30 2.9977 0 4 1 4 29.84 8.57 2.9945 -3 1 1 4 30.08 23.61 2.9710 -1 2 2 4 30.21 17.39 2.9581 -2 1 2 4 30.38 50.74 2.9418 2 2 1 4 30.50 1.80 2.9306 3 1 0 4 31.08 11.62 2.8778 0 2 2 4 31.99 15.37 2.7980 -3 2 1 4 32.34 2.02 2.7682 -2 2 2 4 32.61 13.76 2.7456 3 2 0 4 32.72 47.34 2.7367 1 4 1 4 33.02 12.71 2.7131 2 4 0 4 33.12 17.73 2.7050 1 1 2 4 33.63 7.26 2.6647 -2 4 1 4 33.85 1.04 2.6483 2 3 1 4 34.44 17.00 2.6038 1 5 0 4 34.48 3.89 2.6013 0 3 2 4 35.09 1.23 2.5575 1 2 2 4 35.31 3.22 2.5419 -3 3 1 4 35.47 14.72 2.5305 -3 1 2 4 35.89 12.63 2.5025 3 3 0 4 36.20 16.53 2.4816 -1 5 1 4 36.56 8.91 2.4581 3 0 1 2 37.17 6.22 2.4189 3 1 1 4 37.34 9.43 2.4085 -3 2 2 4 37.98 7.64 2.3691 -1 4 2 4 38.23 1.62 2.3542 2 4 1 4 38.68 1.13 2.3281 2 5 0 4 38.96 3.40 2.3117 3 2 1 4 39.06 1.42 2.3059 2 0 2 2 39.77 14.87 2.2667 0 6 0 2 40.06 2.21 2.2509 4 0 0 2 40.07 5.13 2.2500 3 4 0 4 40.27 9.68 2.2393 -3 3 2 4 40.63 2.39 2.2206 4 1 0 4 40.77 2.37 2.2130 -4 2 1 4 40.93 13.55 2.2050 -1 0 3 2 41.06 10.17 2.1981 1 6 0 4 41.34 3.73 2.1838 2 2 2 4 41.49 6.73 2.1766 -1 1 3 4 42.12 10.27 2.1451 -4 0 2 2 42.23 12.40 2.1398 -2 1 3 4 42.30 4.81 2.1368 4 2 0 4 42.58 4.52 2.1231 -1 6 1 4 42.67 3.95 2.1189 -4 1 2 4 43.24 2.62 2.0923 0 1 3 4 43.85 5.24 2.0646 -2 2 3 4 44.11 1.61 2.0530 -3 4 2 4 44.28 4.58 2.0458 -4 2 2 4 44.76 2.40 2.0245 2 6 0 4 44.86 2.65 2.0204 -3 0 3 2 44.98 1.97 2.0154 3 5 0 4 45.24 1.15 2.0042 -2 6 1 4 45.38 1.20 1.9985 -3 1 3 4 45.54 5.11 1.9920 3 4 1 4 45.76 2.14 1.9829 -1 3 3 4 46.90 3.89 1.9374 1 5 2 4 47.27 2.07 1.9228 1 1 3 4 47.90 1.10 1.8992 1 7 0 4 48.46 2.19 1.8785 4 2 1 4 48.49 1.85 1.8775 -5 0 1 2 48.72 5.07 1.8689 -1 6 2 4 48.76 10.56 1.8676 1 2 3 4 48.93 13.64 1.8616 2 6 1 4 48.98 2.57 1.8598 -5 1 1 4 49.16 1.59 1.8532 3 2 2 4 49.40 8.58 1.8450 0 6 2 4 50.02 12.57 1.8235 -3 6 1 4 50.29 1.95 1.8142 -4 4 2 4 50.42 13.73 1.8098 -5 2 1 4 50.45 1.50 1.8088 3 6 0 4 50.58 1.01 1.8047 -4 1 3 4 50.80 3.30 1.7974 0 4 3 4 50.87 8.45 1.7948 4 3 1 4 51.16 2.76 1.7854 1 3 3 4 51.51 5.31 1.7741 -4 5 1 4 51.55 1.83 1.7727 3 3 2 4 51.64 1.39 1.7699 -2 7 1 4 51.99 1.87 1.7589 2 5 2 4 52.22 2.19 1.7517 1 6 2 4 52.58 1.87 1.7407 5 2 0 4 52.70 5.99 1.7369 -3 4 3 4 52.77 2.36 1.7346 -5 3 1 4 53.19 1.55 1.7221 2 1 3 4 53.50 12.52 1.7129 -1 5 3 4 53.88 6.64 1.7016 -3 6 2 4 53.93 5.04 1.7000 0 8 0 2 54.29 5.40 1.6896 -4 3 3 4 54.40 13.59 1.6865 1 4 3 4 54.48 3.48 1.6844 -4 5 2 4 54.55 9.72 1.6822 2 2 3 4 54.87 2.97 1.6732 -5 3 2 4 54.95 3.33 1.6709 0 5 3 4 54.97 1.90 1.6705 1 8 0 4 55.12 3.39 1.6664 3 6 1 4 55.65 3.14 1.6515 -2 0 4 2 55.95 6.50 1.6436 -5 4 1 4 56.01 1.81 1.6417 -3 7 1 4 56.24 2.01 1.6356 -2 7 2 4 56.42 1.97 1.6309 3 7 0 4 56.52 4.04 1.6282 -4 6 1 4 56.97 1.14 1.6165 2 6 2 4 57.40 4.47 1.6052 5 1 1 4 57.41 1.82 1.6051 -4 4 3 4 57.43 1.42 1.6047 -5 1 3 4 58.12 1.79 1.5873 4 5 1 4 58.15 5.79 1.5865 4 2 2 4 58.39 3.09 1.5805 -1 6 3 4 58.71 1.80 1.5727 5 2 1 4 58.97 1.62 1.5663 -2 6 3 4 59.31 2.56 1.5580 -4 6 2 4 59.61 2.75 1.5510 -3 7 2 4 60.72 2.35 1.5253 -6 1 2 4 60.77 1.54 1.5242 3 7 1 4 60.82 5.15 1.5230 -6 2 1 4 61.16 4.75 1.5153 -4 0 4 2 61.48 2.11 1.5082 -3 6 3 4 61.51 4.84 1.5077 2 8 1 4 61.58 2.76 1.5060 -4 1 4 4 61.91 2.01 1.4988 0 8 2 4 62.51 1.48 1.4858 2 7 2 4 62.53 1.79 1.4855 -2 4 4 4 62.58 3.34 1.4844 1 1 4 4 62.83 1.10 1.4790 -4 2 4 4 62.91 3.99 1.4774 -6 3 1 4 63.22 6.81 1.4709 4 4 2 4 63.75 4.89 1.4599 5 4 1 4 63.77 1.86 1.4595 -5 4 3 4 63.82 1.03 1.4586 1 2 4 4 64.05 1.49 1.4539 -6 3 2 4 64.21 2.20 1.4506 -3 4 4 4 64.41 1.39 1.4465 -2 7 3 4 65.11 4.06 1.4326 2 9 0 4 65.16 1.96 1.4316 0 7 3 4 65.85 1.20 1.4183 1 3 4 4 66.20 1.63 1.4117 -2 5 4 4 66.30 1.14 1.4097 -5 6 2 4 66.92 1.07 1.3982 3 8 1 4 66.95 1.14 1.3976 5 1 2 4 68.15 2.77 1.3760 5 2 2 4 68.25 2.90 1.3741 -1 9 2 4 69.51 1.17 1.3523 -2 9 2 4 70.44 1.40 1.3368 -6 5 2 4 70.71 2.99 1.3324 -4 8 2 4 70.86 1.29 1.3299 0 10 1 4 71.23 1.08 1.3238 -4 5 4 4 71.57 1.04 1.3184 -2 1 5 4 71.69 2.02 1.3165 6 3 1 4 73.88 1.01 1.2827 4 8 1 4 73.93 1.35 1.2820 -6 1 4 4 75.06 1.01 1.2656 -4 1 5 4 76.71 1.57 1.2423 3 2 4 4 78.08 1.14 1.2239 -4 3 5 4 78.15 1.69 1.2230 -3 4 5 4 79.15 1.01 1.2101 -3 9 3 4 80.44 1.08 1.1939 -5 6 4 4 80.54 1.61 1.1927 1 2 5 4 81.25 1.79 1.1840 1 7 4 4 81.82 1.32 1.1772 -5 9 1 4 81.93 1.29 1.1759 -4 10 1 4 84.71 1.32 1.1443 0 10 3 4 85.24 1.08 1.1385 5 7 2 4 85.31 2.11 1.1378 -7 3 4 4 86.08 1.40 1.1296 -8 3 1 4 86.56 1.50 1.1245 1 12 0 4 88.25 1.76 1.1073 -5 5 5 4 88.31 1.44 1.1067 2 3 5 4 88.59 1.09 1.1039 5 9 1 4 88.80 1.30 1.1019 -8 3 3 4 89.56 1.01 1.0945 -2 7 5 4 89.83 2.65 1.0919 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.