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: S1Se1-1 _database_code_amcsd 0004860 CELL PARAMETERS: 9.4342 13.6374 6.6443 90.000 106.523 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 819.542 Density (g/cm3): 3.981 MAX. ABS. INTENSITY / VOLUME**2: 18.25785280 RIR: 1.493 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.74 6.93 7.5375 1 1 0 4 12.98 9.45 6.8187 0 2 0 2 14.55 36.88 6.0862 -1 0 1 2 15.35 54.97 5.7714 0 1 1 4 15.95 26.73 5.5578 -1 1 1 4 16.28 100.00 5.4448 1 2 0 4 19.07 11.05 4.6548 0 2 1 4 19.19 5.62 4.6254 1 0 1 2 19.55 1.40 4.5406 -1 2 1 4 19.63 2.52 4.5223 2 0 0 2 20.69 1.54 4.2925 2 1 0 4 21.62 16.36 4.1109 -2 1 1 4 21.88 1.60 4.0617 1 3 0 4 23.24 3.03 3.8278 1 2 1 4 23.61 11.76 3.7688 2 2 0 4 24.05 5.71 3.7002 0 3 1 4 24.43 7.73 3.6441 -2 2 1 4 26.14 1.18 3.4093 0 4 0 2 27.70 8.01 3.2202 -1 1 2 4 27.83 38.11 3.2060 2 3 0 4 27.97 40.73 3.1902 1 4 0 4 28.02 43.78 3.1850 0 0 2 2 28.78 11.75 3.1015 0 1 2 4 28.94 42.79 3.0854 -3 0 1 2 29.69 11.49 3.0094 -3 1 1 4 29.72 18.01 3.0059 0 4 1 4 29.98 24.22 2.9805 -1 2 2 4 30.09 19.99 2.9700 -2 1 2 4 30.28 49.54 2.9515 2 2 1 4 30.36 2.28 2.9438 3 1 0 4 30.99 14.86 2.8857 0 2 2 4 31.83 21.40 2.8110 -3 2 1 4 32.21 2.91 2.7789 -2 2 2 4 32.47 15.23 2.7574 3 2 0 4 32.63 54.44 2.7444 1 4 1 4 32.90 16.90 2.7224 2 4 0 4 33.03 22.29 2.7124 1 1 2 4 33.51 9.20 2.6743 -2 4 1 4 33.74 2.19 2.6567 2 3 1 4 34.34 17.90 2.6113 1 5 0 4 34.38 6.52 2.6084 0 3 2 4 34.99 1.70 2.5645 1 2 2 4 35.15 4.67 2.5529 -3 3 1 4 35.31 18.61 2.5421 -3 1 2 4 35.74 11.73 2.5125 3 3 0 4 36.09 17.69 2.4890 -1 5 1 4 36.42 7.33 2.4672 3 0 1 2 37.03 8.16 2.4278 3 1 1 4 37.17 9.24 2.4192 -3 2 2 4 37.86 8.42 2.3763 -1 4 2 4 38.11 1.28 2.3615 2 4 1 4 38.55 1.65 2.3356 2 5 0 4 38.82 4.70 2.3200 3 2 1 4 38.94 1.61 2.3127 2 0 2 2 39.65 16.38 2.2729 0 6 0 2 39.87 2.36 2.2612 4 0 0 2 39.92 4.95 2.2585 3 4 0 4 40.10 7.62 2.2487 -3 3 2 4 40.44 2.61 2.2307 4 1 0 4 40.57 3.12 2.2236 -4 2 1 4 40.80 15.78 2.2118 -1 0 3 2 40.94 10.68 2.2044 1 6 0 4 41.22 3.94 2.1901 2 2 2 4 41.35 6.27 2.1833 -1 1 3 4 41.91 10.03 2.1557 -4 0 2 2 42.08 13.30 2.1475 -2 1 3 4 42.10 4.66 2.1462 4 2 0 4 42.45 3.72 2.1293 -4 1 2 4 42.45 4.53 2.1293 -1 6 1 4 43.12 2.04 2.0980 0 1 3 4 43.69 5.65 2.0718 -2 2 3 4 43.93 1.21 2.0611 -3 4 2 4 44.06 5.22 2.0554 -4 2 2 4 44.62 2.15 2.0308 2 6 0 4 44.67 3.25 2.0287 -3 0 3 2 44.81 1.87 2.0226 3 5 0 4 45.09 1.32 2.0106 -2 6 1 4 45.19 1.09 2.0066 -3 1 3 4 45.37 5.79 1.9988 3 4 1 4 45.61 2.22 1.9889 -1 3 3 4 46.76 4.88 1.9427 1 5 2 4 47.14 2.88 1.9280 1 1 3 4 47.76 1.48 1.9045 1 7 0 4 48.23 1.79 1.8868 -5 0 1 2 48.26 2.42 1.8857 4 2 1 4 48.57 5.17 1.8744 -1 6 2 4 48.62 12.95 1.8727 1 2 3 4 48.72 2.39 1.8690 -5 1 1 4 48.77 15.38 1.8671 2 6 1 4 49.00 1.96 1.8591 3 2 2 4 49.25 9.43 1.8501 0 6 2 4 49.83 14.47 1.8300 -3 6 1 4 50.06 2.14 1.8220 -4 4 2 4 50.17 18.07 1.8185 -5 2 1 4 50.27 1.17 1.8149 3 6 0 4 50.65 3.83 1.8024 0 4 3 4 50.67 11.92 1.8015 4 3 1 4 51.02 3.41 1.7902 1 3 3 4 51.29 6.34 1.7813 -4 5 1 4 51.38 1.90 1.7783 3 3 2 4 51.47 1.58 1.7754 -2 7 1 4 51.83 1.87 1.7639 2 5 2 4 52.07 2.49 1.7565 1 6 2 4 52.32 1.74 1.7484 5 2 0 4 52.49 7.09 1.7434 -3 4 3 4 52.51 2.53 1.7427 -5 3 1 4 53.03 1.50 1.7269 2 1 3 4 53.33 12.88 1.7179 -1 5 3 4 53.67 7.28 1.7076 -3 6 2 4 53.77 5.83 1.7047 0 8 0 2 54.04 6.39 1.6968 -4 3 3 4 54.24 3.87 1.6913 -4 5 2 4 54.24 15.31 1.6911 1 4 3 4 54.39 10.12 1.6868 2 2 3 4 54.59 3.24 1.6811 -5 3 2 4 54.79 3.91 1.6755 0 5 3 4 54.80 2.92 1.6752 1 8 0 4 54.93 3.71 1.6717 3 6 1 4 55.27 1.02 1.6619 0 7 2 4 55.45 4.24 1.6569 -2 0 4 2 55.68 6.80 1.6509 -5 4 1 4 55.81 1.38 1.6473 -3 7 1 4 56.05 2.82 1.6408 -2 7 2 4 56.22 2.56 1.6363 3 7 0 4 56.28 5.18 1.6345 -4 6 1 4 57.13 2.12 1.6123 -5 1 3 4 57.15 2.19 1.6117 -4 4 3 4 57.15 5.40 1.6117 5 1 1 4 57.80 1.06 1.5951 2 8 0 4 57.89 2.01 1.5928 4 5 1 4 57.93 7.01 1.5918 4 2 2 4 58.20 3.35 1.5851 -1 6 3 4 58.45 1.68 1.5789 5 2 1 4 58.76 1.68 1.5713 -2 6 3 4 59.06 3.06 1.5641 -4 6 2 4 59.38 2.98 1.5564 -3 7 2 4 60.38 2.27 1.5329 -6 1 2 4 60.50 5.46 1.5304 -6 2 1 4 60.56 1.10 1.5290 3 7 1 4 60.88 5.53 1.5215 -4 0 4 2 61.24 2.12 1.5135 -3 6 3 4 61.30 3.09 1.5122 -4 1 4 4 61.31 5.67 1.5120 2 8 1 4 61.68 1.17 1.5038 3 2 3 4 61.72 2.28 1.5029 0 8 2 4 62.30 2.70 1.4903 -2 4 4 4 62.32 1.79 1.4900 2 7 2 4 62.39 3.48 1.4884 1 1 4 4 62.55 1.35 1.4850 -4 2 4 4 62.58 4.02 1.4843 -6 3 1 4 62.99 6.84 1.4757 4 4 2 4 63.46 2.27 1.4659 -5 4 3 4 63.48 4.88 1.4655 5 4 1 4 63.70 1.57 1.4609 -6 3 2 4 63.95 2.68 1.4557 -3 4 4 4 64.18 1.34 1.4510 -2 7 3 4 64.90 4.05 1.4368 2 9 0 4 64.96 1.94 1.4355 0 7 3 4 65.58 1.24 1.4235 -3 8 2 4 65.97 1.63 1.4161 -2 5 4 4 66.68 1.27 1.4026 5 1 2 4 67.87 2.77 1.3809 5 2 2 4 68.03 3.41 1.3780 -1 9 2 4 70.08 1.58 1.3428 -6 5 2 4 70.42 3.07 1.3371 -4 8 2 4 70.64 1.17 1.3335 0 10 1 4 71.36 2.21 1.3218 6 3 1 4 73.53 1.24 1.2880 -6 1 4 4 75.14 1.10 1.2644 -4 6 4 4 76.46 1.68 1.2458 3 2 4 4 77.74 1.12 1.2284 -4 3 5 4 77.84 1.64 1.2271 -3 4 5 4 78.84 1.15 1.2140 -3 9 3 4 80.06 1.13 1.1986 -5 6 4 4 80.28 1.90 1.1959 1 2 5 4 80.99 1.93 1.1872 1 7 4 4 81.46 1.29 1.1815 -5 9 1 4 81.60 1.73 1.1798 -4 10 1 4 83.61 1.04 1.1565 -6 7 3 4 84.42 1.35 1.1475 0 10 3 4 84.81 2.12 1.1431 -7 3 4 4 84.89 1.29 1.1423 5 7 2 4 85.55 1.06 1.1351 -4 8 4 4 85.58 1.45 1.1349 -8 3 1 4 86.27 1.95 1.1276 1 12 0 4 87.82 1.75 1.1116 -5 5 5 4 88.01 1.86 1.1096 2 3 5 4 88.22 1.31 1.1076 5 9 1 4 88.25 1.44 1.1073 -8 3 3 4 89.21 1.00 1.0978 -2 7 5 4 89.50 2.64 1.0951 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.