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: S1Se2-4 _database_code_amcsd 0004877 CELL PARAMETERS: 9.4223 13.5906 6.6354 90.000 106.446 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 814.931 Density (g/cm3): 3.794 MAX. ABS. INTENSITY / VOLUME**2: 18.46385881 RIR: 1.585 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.76 7.26 7.5251 1 1 0 4 13.03 8.71 6.7953 0 2 0 2 14.58 38.41 6.0756 -1 0 1 2 15.37 52.17 5.7634 0 1 1 4 15.98 27.45 5.5466 -1 1 1 4 16.32 100.00 5.4311 1 2 0 4 19.11 10.86 4.6450 0 2 1 4 19.20 3.89 4.6234 1 0 1 2 19.60 1.30 4.5292 -1 2 1 4 19.65 1.15 4.5184 2 0 0 2 20.72 2.57 4.2876 2 1 0 4 21.66 19.01 4.1032 -2 1 1 4 21.95 2.30 4.0498 1 3 0 4 23.27 3.52 3.8225 1 2 1 4 23.65 10.69 3.7626 2 2 0 4 24.11 5.58 3.6906 0 3 1 4 24.48 8.02 3.6361 -2 2 1 4 27.57 1.19 3.2358 1 3 1 4 27.75 4.71 3.2152 -1 1 2 4 27.89 35.20 3.1992 2 3 0 4 28.04 43.62 3.1820 0 0 2 2 28.06 34.49 3.1803 1 4 0 4 28.61 1.04 3.1203 -2 3 1 4 28.82 9.15 3.0982 0 1 2 4 28.98 40.17 3.0808 -3 0 1 2 29.74 9.26 3.0045 -3 1 1 4 29.81 18.31 2.9972 0 4 1 4 30.04 23.70 2.9751 -1 2 2 4 30.14 17.61 2.9646 -2 1 2 4 30.31 50.67 2.9486 2 2 1 4 30.39 1.86 2.9409 3 1 0 4 31.03 12.54 2.8817 0 2 2 4 31.89 17.05 2.8059 -3 2 1 4 32.28 2.20 2.7733 -2 2 2 4 32.51 14.63 2.7538 3 2 0 4 32.71 48.71 2.7379 1 4 1 4 32.98 13.87 2.7156 2 4 0 4 33.05 19.44 2.7105 1 1 2 4 33.61 7.93 2.6668 -2 4 1 4 33.79 1.42 2.6529 2 3 1 4 34.44 4.54 2.6038 0 3 2 4 34.46 16.93 2.6029 1 5 0 4 35.03 1.32 2.5619 1 2 2 4 35.23 3.52 2.5475 -3 3 1 4 35.37 15.86 2.5374 -3 1 2 4 35.80 12.51 2.5084 3 3 0 4 36.20 16.83 2.4811 -1 5 1 4 36.43 8.53 2.4660 3 0 1 2 37.05 6.74 2.4264 3 1 1 4 37.24 9.43 2.4143 -3 2 2 4 37.96 7.83 2.3706 -1 4 2 4 38.18 1.58 2.3571 2 4 1 4 38.66 1.26 2.3292 2 5 0 4 38.85 3.69 2.3181 3 2 1 4 38.96 1.50 2.3117 2 0 2 2 39.80 15.39 2.2651 0 6 0 2 39.90 2.36 2.2592 4 0 0 2 40.00 5.07 2.2540 3 4 0 4 40.19 8.73 2.2438 -3 3 2 4 40.48 2.52 2.2286 4 1 0 4 40.64 2.53 2.2201 -4 2 1 4 40.85 14.26 2.2090 -1 0 3 2 41.08 10.43 2.1971 1 6 0 4 41.25 3.68 2.1885 2 2 2 4 41.41 6.67 2.1804 -1 1 3 4 41.98 10.19 2.1520 -4 0 2 2 42.15 12.79 2.1440 -2 1 3 4 42.15 4.55 2.1438 4 2 0 4 42.53 3.78 2.1255 -4 1 2 4 42.60 4.48 2.1224 -1 6 1 4 43.16 2.42 2.0959 0 1 3 4 43.77 5.31 2.0682 -2 2 3 4 44.04 1.45 2.0562 -3 4 2 4 44.14 4.59 2.0516 -4 2 2 4 44.75 2.74 2.0252 -3 0 3 2 44.76 2.16 2.0249 2 6 0 4 44.92 1.93 2.0180 3 5 0 4 45.24 1.17 2.0045 -2 6 1 4 45.27 1.11 2.0031 -3 1 3 4 45.45 5.23 1.9958 3 4 1 4 45.69 2.06 1.9855 -1 3 3 4 46.86 4.11 1.9387 1 5 2 4 47.18 2.29 1.9266 1 1 3 4 47.92 1.18 1.8982 1 7 0 4 48.30 1.71 1.8845 -5 0 1 2 48.30 2.21 1.8843 4 2 1 4 48.67 11.19 1.8710 1 2 3 4 48.72 4.98 1.8692 -1 6 2 4 48.79 2.40 1.8666 -5 1 1 4 48.90 13.82 1.8625 2 6 1 4 49.03 1.65 1.8579 3 2 2 4 49.39 8.72 1.8453 0 6 2 4 49.98 12.96 1.8249 -3 6 1 4 50.18 1.98 1.8180 -4 4 2 4 50.24 14.99 1.8159 -5 2 1 4 50.41 1.31 1.8104 3 6 0 4 50.73 9.40 1.7998 4 3 1 4 50.74 3.43 1.7994 0 4 3 4 51.08 2.83 1.7882 1 3 3 4 51.41 5.42 1.7773 -4 5 1 4 51.43 1.84 1.7767 3 3 2 4 51.65 1.42 1.7698 -2 7 1 4 51.93 1.91 1.7610 2 5 2 4 52.20 2.20 1.7525 1 6 2 4 52.38 1.75 1.7466 5 2 0 4 52.60 2.33 1.7399 -5 3 1 4 52.61 6.23 1.7396 -3 4 3 4 53.06 1.51 1.7259 2 1 3 4 53.45 12.36 1.7143 -1 5 3 4 53.83 6.57 1.7030 -3 6 2 4 53.97 5.17 1.6988 0 8 0 2 54.16 5.71 1.6934 -4 3 3 4 54.32 13.92 1.6888 1 4 3 4 54.38 3.57 1.6872 -4 5 2 4 54.43 9.59 1.6857 2 2 3 4 54.70 2.97 1.6780 -5 3 2 4 54.90 3.33 1.6723 0 5 3 4 55.00 2.12 1.6696 1 8 0 4 55.05 3.47 1.6682 3 6 1 4 55.54 3.46 1.6546 -2 0 4 2 55.78 6.56 1.6480 -5 4 1 4 55.98 1.56 1.6425 -3 7 1 4 56.23 2.19 1.6359 -2 7 2 4 56.38 2.10 1.6319 3 7 0 4 56.43 4.28 1.6305 -4 6 1 4 56.91 1.03 1.6179 2 6 2 4 57.19 4.59 1.6107 5 1 1 4 57.24 1.64 1.6094 -5 1 3 4 57.29 1.88 1.6083 -4 4 3 4 57.97 6.13 1.5909 4 2 2 4 57.99 1.84 1.5904 4 5 1 4 58.35 3.07 1.5815 -1 6 3 4 58.50 1.73 1.5778 5 2 1 4 58.92 1.59 1.5674 -2 6 3 4 59.22 2.70 1.5602 -4 6 2 4 59.57 2.76 1.5519 -3 7 2 4 60.49 2.27 1.5306 -6 1 2 4 60.58 5.15 1.5284 -6 2 1 4 60.71 1.25 1.5255 3 7 1 4 61.00 4.86 1.5189 -4 0 4 2 61.41 2.00 1.5097 -3 6 3 4 61.42 2.74 1.5095 -4 1 4 4 61.50 4.92 1.5078 2 8 1 4 61.92 2.03 1.4986 0 8 2 4 62.43 2.03 1.4876 -2 4 4 4 62.44 3.28 1.4872 1 1 4 4 62.47 1.52 1.4867 2 7 2 4 62.68 1.19 1.4823 -4 2 4 4 62.68 3.85 1.4822 -6 3 1 4 63.06 6.57 1.4743 4 4 2 4 63.56 4.77 1.4638 5 4 1 4 63.61 1.95 1.4629 -5 4 3 4 63.82 1.47 1.4584 -6 3 2 4 64.09 2.27 1.4529 -3 4 4 4 64.37 1.32 1.4473 -2 7 3 4 65.13 1.85 1.4322 0 7 3 4 65.13 3.86 1.4322 2 9 0 4 65.72 1.07 1.4207 1 3 4 4 65.80 1.01 1.4193 -3 8 2 4 66.11 1.57 1.4133 -2 5 4 4 66.72 1.15 1.4020 5 1 2 4 67.92 2.68 1.3801 5 2 2 4 68.27 2.93 1.3738 -1 9 2 4 70.23 1.40 1.3401 -6 5 2 4 70.64 2.85 1.3334 -4 8 2 4 70.91 1.15 1.3291 0 10 1 4 71.43 2.01 1.3207 6 3 1 4 73.69 1.22 1.2856 -6 1 4 4 76.51 1.50 1.2451 3 2 4 4 77.91 1.07 1.2263 -4 3 5 4 78.00 1.55 1.2250 -3 4 5 4 79.11 1.02 1.2106 -3 9 3 4 80.28 1.02 1.1959 -5 6 4 4 80.36 1.64 1.1949 1 2 5 4 81.16 1.75 1.1851 1 7 4 4 81.72 1.20 1.1784 -5 9 1 4 81.89 1.41 1.1764 -4 10 1 4 84.70 1.24 1.1443 0 10 3 4 85.01 1.98 1.1410 -7 3 4 4 85.05 1.11 1.1406 5 7 2 4 85.71 1.30 1.1335 -8 3 1 4 86.63 1.59 1.1238 1 12 0 4 88.05 1.62 1.1093 -5 5 5 4 88.10 1.51 1.1087 2 3 5 4 88.44 1.24 1.1054 -8 3 3 4 88.45 1.10 1.1053 5 9 1 4 89.58 2.44 1.0943 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.