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: S1Se0-2 _database_code_amcsd 0004856 CELL PARAMETERS: 9.3334 13.5780 6.6006 90.000 106.499 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 802.044 Density (g/cm3): 3.544 MAX. ABS. INTENSITY / VOLUME**2: 19.99011268 RIR: 1.837 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.84 8.08 7.4721 1 1 0 4 13.04 5.77 6.7890 0 2 0 2 14.67 41.79 6.0386 -1 0 1 2 15.45 44.40 5.7363 0 1 1 4 16.06 26.10 5.5175 -1 1 1 4 16.39 100.00 5.4087 1 2 0 4 19.17 10.11 4.6293 0 2 1 4 19.34 2.16 4.5892 1 0 1 2 19.68 1.21 4.5120 -1 2 1 4 20.90 4.47 4.2497 2 1 0 4 21.82 21.55 4.0730 -2 1 1 4 22.01 2.95 4.0388 1 3 0 4 23.40 3.88 3.8020 1 2 1 4 23.82 7.25 3.7361 2 2 0 4 24.18 5.13 3.6815 0 3 1 4 24.63 9.26 3.6143 -2 2 1 4 27.68 2.52 3.2225 1 3 1 4 27.89 1.13 3.1990 -1 1 2 4 28.04 31.13 3.1820 2 3 0 4 28.12 24.70 3.1738 1 4 0 4 28.20 42.16 3.1644 0 0 2 2 28.28 3.03 3.1561 2 1 1 4 28.74 1.65 3.1058 -2 3 1 4 28.97 6.64 3.0818 0 1 2 4 29.25 32.87 3.0534 -3 0 1 2 29.87 20.18 2.9914 0 4 1 4 30.00 6.82 2.9790 -3 1 1 4 30.17 23.30 2.9619 -1 2 2 4 30.33 15.25 2.9473 -2 1 2 4 30.53 51.05 2.9277 2 2 1 4 30.69 1.65 2.9135 3 1 0 4 31.18 8.77 2.8681 0 2 2 4 32.14 11.09 2.7847 -3 2 1 4 32.45 1.46 2.7588 -2 2 2 4 32.79 12.12 2.7310 3 2 0 4 32.82 41.52 2.7291 1 4 1 4 33.13 9.69 2.7044 2 4 0 4 33.26 14.28 2.6935 1 1 2 4 33.73 6.01 2.6571 -2 4 1 4 34.52 16.97 2.5986 1 5 0 4 34.59 2.20 2.5934 0 3 2 4 35.46 2.19 2.5312 -3 3 1 4 35.63 12.67 2.5198 -3 1 2 4 35.75 1.74 2.5117 -2 3 2 4 36.06 13.53 2.4907 3 3 0 4 36.27 15.74 2.4767 -1 5 1 4 36.78 9.62 2.4439 3 0 1 2 37.39 4.45 2.4052 3 1 1 4 37.49 9.08 2.3989 -3 2 2 4 38.08 6.71 2.3631 -1 4 2 4 38.38 1.69 2.3456 2 4 1 4 39.18 2.63 2.2994 3 2 1 4 39.26 1.41 2.2946 2 0 2 2 39.83 13.44 2.2630 0 6 0 2 40.25 5.06 2.2408 3 4 0 4 40.31 1.91 2.2373 4 0 0 2 40.43 11.23 2.2311 -3 3 2 4 40.88 2.10 2.2075 4 1 0 4 41.00 1.99 2.2015 -4 2 1 4 41.08 12.27 2.1974 -1 0 3 2 41.14 9.68 2.1939 1 6 0 4 41.54 3.12 2.1738 2 2 2 4 41.64 6.93 2.1692 -1 1 3 4 42.34 9.86 2.1348 -4 0 2 2 42.39 11.55 2.1325 -2 1 3 4 42.55 4.85 2.1249 4 2 0 4 42.67 4.23 2.1191 -1 6 1 4 42.88 4.14 2.1089 -4 1 2 4 43.41 2.89 2.0846 0 1 3 4 44.00 4.82 2.0577 -2 2 3 4 44.27 1.81 2.0461 -3 4 2 4 44.49 4.29 2.0365 -4 2 2 4 44.88 2.68 2.0194 2 6 0 4 45.04 2.03 2.0129 -3 0 3 2 45.15 2.10 2.0081 3 5 0 4 45.36 1.04 1.9995 -2 6 1 4 45.56 1.29 1.9911 -3 1 3 4 45.75 4.58 1.9833 3 4 1 4 45.91 2.23 1.9768 -1 3 3 4 47.04 3.23 1.9316 1 5 2 4 47.48 1.47 1.9150 1 1 3 4 48.75 2.04 1.8681 4 2 1 4 48.79 1.95 1.8667 -5 0 1 2 48.84 4.94 1.8648 -1 6 2 4 48.96 8.57 1.8603 1 2 3 4 49.08 12.51 1.8562 2 6 1 4 49.13 1.04 1.8546 0 7 1 4 49.27 2.84 1.8493 -5 1 1 4 49.43 1.43 1.8439 3 2 2 4 49.52 7.44 1.8407 0 6 2 4 50.18 10.77 1.8181 -3 6 1 4 50.50 1.76 1.8071 -4 4 2 4 50.63 1.85 1.8029 3 6 0 4 50.72 10.29 1.7999 -5 2 1 4 50.80 1.43 1.7973 -4 1 3 4 50.97 3.00 1.7918 0 4 3 4 51.16 6.53 1.7855 4 3 1 4 51.37 2.40 1.7787 1 3 3 4 51.73 4.84 1.7671 -4 5 1 4 51.77 1.27 1.7660 -2 7 1 4 51.82 1.79 1.7644 3 3 2 4 52.19 1.60 1.7527 2 5 2 4 52.37 1.86 1.7469 1 6 2 4 52.88 4.92 1.7313 -3 4 3 4 52.90 1.82 1.7307 5 2 0 4 53.07 2.34 1.7257 -5 3 1 4 53.45 1.64 1.7144 2 1 3 4 53.65 11.95 1.7082 -1 5 3 4 54.03 4.45 1.6973 0 8 0 2 54.05 6.29 1.6968 -3 6 2 4 54.52 4.41 1.6832 -4 3 3 4 54.61 12.38 1.6806 1 4 3 4 54.69 3.24 1.6783 -4 5 2 4 54.81 9.33 1.6748 2 2 3 4 55.07 1.36 1.6675 1 8 0 4 55.13 3.11 1.6660 0 5 3 4 55.15 3.07 1.6654 -5 3 2 4 55.33 2.85 1.6605 3 6 1 4 55.86 2.39 1.6458 -2 0 4 2 56.18 2.27 1.6373 -3 7 1 4 56.24 6.02 1.6357 -5 4 1 4 56.38 1.52 1.6320 -2 7 2 4 56.60 1.64 1.6262 3 7 0 4 56.74 3.20 1.6224 -4 6 1 4 57.17 1.39 1.6112 2 6 2 4 57.63 1.46 1.5994 -4 4 3 4 57.78 4.08 1.5958 5 1 1 4 58.40 1.69 1.5802 4 5 1 4 58.49 4.86 1.5780 4 2 2 4 58.55 2.97 1.5765 -1 6 3 4 59.08 1.66 1.5637 5 2 1 4 59.14 1.59 1.5622 -2 6 3 4 59.53 1.94 1.5529 -4 6 2 4 59.78 2.60 1.5470 -3 7 2 4 60.98 1.92 1.5193 3 7 1 4 61.08 2.44 1.5171 -6 1 2 4 61.20 4.60 1.5144 -6 2 1 4 61.42 4.17 1.5096 -4 0 4 2 61.67 2.12 1.5040 -3 6 3 4 61.67 4.08 1.5040 2 8 1 4 61.84 2.57 1.5004 -4 1 4 4 62.05 1.91 1.4957 0 8 2 4 62.72 1.35 1.4813 2 7 2 4 62.74 1.17 1.4809 -2 4 4 4 62.86 3.07 1.4785 1 1 4 4 63.29 4.10 1.4694 -6 3 1 4 63.56 6.75 1.4639 4 4 2 4 64.05 1.55 1.4537 -5 4 3 4 64.10 1.10 1.4529 1 2 4 4 64.12 4.44 1.4524 5 4 1 4 64.40 1.46 1.4466 -6 3 2 4 64.44 1.90 1.4460 -3 4 4 4 64.59 1.47 1.4430 -2 7 3 4 65.27 4.09 1.4296 2 9 0 4 65.35 1.89 1.4279 0 7 3 4 66.13 1.36 1.4130 1 3 4 4 66.42 1.68 1.4075 -2 5 4 4 66.59 1.29 1.4044 -5 6 2 4 67.15 1.20 1.3940 3 8 1 4 67.38 1.07 1.3898 5 1 2 4 68.40 2.54 1.3715 -1 9 2 4 68.58 2.65 1.3684 5 2 2 4 69.67 1.34 1.3496 -2 9 2 4 70.80 1.30 1.3308 -6 5 2 4 70.94 2.96 1.3285 -4 8 2 4 71.00 1.31 1.3276 0 10 1 4 71.50 1.22 1.3195 -4 5 4 4 71.85 1.09 1.3139 -2 1 5 4 72.15 1.92 1.3092 6 3 1 4 74.18 1.04 1.2783 4 8 1 4 74.30 1.38 1.2765 -6 1 4 4 75.37 1.27 1.2611 -4 1 5 4 77.13 1.52 1.2367 3 2 4 4 78.40 1.06 1.2197 -4 3 5 4 78.45 1.78 1.2191 -3 4 5 4 80.77 1.02 1.1899 -5 6 4 4 80.92 1.38 1.1881 1 2 5 4 81.56 1.58 1.1803 1 7 4 4 82.15 1.36 1.1734 -5 9 1 4 84.94 1.36 1.1418 0 10 3 4 85.77 1.94 1.1328 -7 3 4 4 86.75 1.16 1.1226 1 12 0 4 87.60 1.07 1.1138 0 12 1 4 88.63 1.71 1.1035 -5 5 5 4 88.77 1.23 1.1022 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.