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: S1Se1-3 _database_code_amcsd 0004861 CELL PARAMETERS: 9.4654 13.6771 6.6635 90.000 106.517 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 827.055 Density (g/cm3): 4.197 MAX. ABS. INTENSITY / VOLUME**2: 18.08201540 RIR: 1.403 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.70 7.07 7.5617 1 1 0 4 12.95 8.61 6.8386 0 2 0 2 14.51 34.04 6.1043 -1 0 1 2 15.31 60.68 5.7882 0 1 1 4 15.90 25.83 5.5743 -1 1 1 4 16.23 100.00 5.4615 1 2 0 4 19.01 11.34 4.6684 0 2 1 4 19.13 8.10 4.6398 1 0 1 2 19.49 1.26 4.5539 -1 2 1 4 19.56 5.21 4.5374 2 0 0 2 21.55 14.28 4.1238 -2 1 1 4 21.82 1.09 4.0738 1 3 0 4 23.17 2.07 3.8395 1 2 1 4 23.53 12.87 3.7809 2 2 0 4 23.98 5.97 3.7110 0 3 1 4 24.35 7.04 3.6554 -2 2 1 4 26.06 3.90 3.4193 0 4 0 2 27.62 12.99 3.2295 -1 1 2 4 27.74 42.52 3.2161 2 3 0 4 27.88 50.17 3.1997 1 4 0 4 27.93 43.50 3.1943 0 0 2 2 28.70 15.73 3.1106 0 1 2 4 28.84 46.35 3.0954 -3 0 1 2 29.26 1.56 3.0521 -2 0 2 2 29.59 15.08 3.0191 -3 1 1 4 29.63 17.48 3.0146 0 4 1 4 29.89 24.56 2.9892 -1 2 2 4 30.00 23.71 2.9789 -2 1 2 4 30.18 48.35 2.9608 2 2 1 4 30.26 2.56 2.9536 3 1 0 4 30.90 17.78 2.8941 0 2 2 4 31.73 27.61 2.8200 -3 2 1 4 32.11 4.05 2.7871 -2 2 2 4 32.36 16.62 2.7664 3 2 0 4 32.53 62.11 2.7526 1 4 1 4 32.80 21.57 2.7307 2 4 0 4 32.92 26.80 2.7205 1 1 2 4 33.41 11.06 2.6823 -2 4 1 4 33.63 3.60 2.6650 2 3 1 4 34.24 19.10 2.6190 1 5 0 4 34.28 9.87 2.6161 0 3 2 4 34.88 2.20 2.5722 1 2 2 4 35.04 6.53 2.5609 -3 3 1 4 35.19 22.36 2.5499 -3 1 2 4 35.62 11.02 2.5206 3 3 0 4 35.98 19.34 2.4962 -1 5 1 4 36.29 6.00 2.4753 3 0 1 2 36.90 10.67 2.4357 3 1 1 4 37.05 9.19 2.4266 -3 2 2 4 37.75 9.40 2.3832 -1 4 2 4 37.99 1.02 2.3688 2 4 1 4 38.43 2.25 2.3426 2 5 0 4 38.69 6.33 2.3275 3 2 1 4 38.82 1.85 2.3199 2 0 2 2 39.53 17.73 2.2795 0 6 0 2 39.73 2.49 2.2687 4 0 0 2 39.79 5.01 2.2656 3 4 0 4 39.97 6.40 2.2556 -3 3 2 4 40.30 2.84 2.2381 4 1 0 4 40.43 3.94 2.2308 -4 2 1 4 40.67 18.21 2.2182 -1 0 3 2 40.82 11.01 2.2108 1 6 0 4 41.09 4.35 2.1969 2 2 2 4 41.23 5.99 2.1896 -1 1 3 4 41.77 9.94 2.1625 -4 0 2 2 41.95 14.41 2.1537 -2 1 3 4 41.96 4.70 2.1533 4 2 0 4 42.31 3.69 2.1360 -4 1 2 4 42.32 4.66 2.1355 -1 6 1 4 42.82 2.03 2.1120 -1 5 2 4 42.98 1.75 2.1042 0 1 3 4 43.56 6.26 2.0778 -2 2 3 4 43.91 6.03 2.0619 -4 2 2 4 44.48 2.17 2.0369 2 6 0 4 44.53 3.95 2.0348 -3 0 3 2 44.66 1.90 2.0289 3 5 0 4 44.95 1.50 2.0166 -2 6 1 4 45.04 1.14 2.0126 -3 1 3 4 45.22 6.95 2.0050 3 4 1 4 45.47 2.42 1.9946 -1 3 3 4 46.14 1.13 1.9674 -2 3 3 4 46.61 6.06 1.9484 1 5 2 4 46.99 4.08 1.9337 1 1 3 4 47.61 2.05 1.9101 1 7 0 4 48.06 1.96 1.8931 -5 0 1 2 48.10 2.77 1.8918 4 2 1 4 48.42 5.38 1.8798 -1 6 2 4 48.47 15.84 1.8782 1 2 3 4 48.55 2.26 1.8752 -5 1 1 4 48.62 17.92 1.8727 2 6 1 4 48.83 2.39 1.8649 3 2 2 4 49.10 10.68 1.8555 0 6 2 4 49.67 17.18 1.8355 -3 6 1 4 49.90 2.55 1.8277 -4 4 2 4 49.99 23.61 1.8245 -5 2 1 4 50.49 4.58 1.8076 0 4 3 4 50.50 15.95 1.8074 4 3 1 4 50.85 4.41 1.7955 1 3 3 4 51.12 7.75 1.7868 -4 5 1 4 51.21 2.02 1.7839 3 3 2 4 51.31 1.85 1.7806 -2 7 1 4 51.66 2.06 1.7693 2 5 2 4 51.90 2.95 1.7617 1 6 2 4 52.14 1.78 1.7542 5 2 0 4 52.32 8.69 1.7486 -3 4 3 4 52.33 2.89 1.7483 -5 3 1 4 52.85 1.58 1.7322 2 1 3 4 53.16 14.36 1.7229 -1 5 3 4 53.50 8.43 1.7127 -3 6 2 4 53.61 6.93 1.7096 0 8 0 2 53.75 1.01 1.7053 -2 5 3 4 53.87 7.83 1.7020 -4 3 3 4 54.06 4.39 1.6964 -4 5 2 4 54.07 17.75 1.6961 1 4 3 4 54.21 11.14 1.6920 2 2 3 4 54.40 3.73 1.6864 -5 3 2 4 54.62 4.71 1.6804 0 5 3 4 54.63 4.24 1.6801 1 8 0 4 54.74 4.43 1.6768 3 6 1 4 55.10 1.68 1.6668 0 7 2 4 55.28 5.80 1.6617 -2 0 4 2 55.48 7.34 1.6562 -5 4 1 4 55.63 1.13 1.6523 -3 7 1 4 55.87 3.87 1.6456 -2 7 2 4 55.99 1.07 1.6423 4 0 2 2 56.03 3.32 1.6413 3 7 0 4 56.09 6.75 1.6395 -4 6 1 4 56.94 3.09 1.6173 -5 1 3 4 56.95 6.75 1.6170 5 1 1 4 56.96 2.74 1.6166 -4 4 3 4 57.62 1.38 1.5998 2 8 0 4 57.69 2.31 1.5979 4 5 1 4 57.73 8.81 1.5969 4 2 2 4 58.02 3.83 1.5897 -1 6 3 4 58.24 1.78 1.5841 5 2 1 4 58.58 1.89 1.5758 -2 6 3 4 58.86 3.86 1.5689 -4 6 2 4 59.19 3.45 1.5610 -3 7 2 4 60.17 2.41 1.5379 -6 1 2 4 60.28 6.33 1.5354 -6 2 1 4 60.69 6.71 1.5261 -4 0 4 2 61.04 2.26 1.5180 -3 6 3 4 61.10 3.75 1.5167 -4 1 4 4 61.11 7.16 1.5165 2 8 1 4 61.47 1.93 1.5085 3 2 3 4 61.52 2.64 1.5073 0 8 2 4 62.10 3.96 1.4946 -2 4 4 4 62.11 2.27 1.4944 2 7 2 4 62.19 3.97 1.4928 1 1 4 4 62.34 1.69 1.4894 -4 2 4 4 62.35 4.39 1.4892 -6 3 1 4 62.77 7.50 1.4804 4 4 2 4 62.94 1.28 1.4768 6 2 0 4 63.17 1.27 1.4719 2 5 3 4 63.24 2.85 1.4704 -5 4 3 4 63.25 5.36 1.4702 5 4 1 4 63.41 1.02 1.4668 1 2 4 4 63.47 1.81 1.4656 -6 3 2 4 63.75 3.43 1.4600 -3 4 4 4 63.98 1.39 1.4553 -2 7 3 4 64.69 4.51 1.4410 2 9 0 4 64.75 2.22 1.4397 0 7 3 4 65.36 1.72 1.4277 -3 8 2 4 65.75 1.88 1.4202 -2 5 4 4 66.44 1.55 1.4072 5 1 2 4 67.62 3.17 1.3854 5 2 2 4 67.81 4.42 1.3820 -1 9 2 4 67.97 1.01 1.3792 0 5 4 4 69.82 1.98 1.3470 -6 5 2 4 70.17 3.50 1.3411 -4 8 2 4 70.40 1.25 1.3374 0 10 1 4 70.66 1.29 1.3332 0 8 3 4 71.09 2.64 1.3262 6 3 1 4 73.06 1.21 1.2951 3 9 1 4 73.27 1.34 1.2919 -6 1 4 4 74.88 1.42 1.2681 -4 6 4 4 75.67 1.15 1.2568 -5 5 4 4 76.18 2.02 1.2496 3 2 4 4 76.29 1.10 1.2481 -6 3 4 4 77.47 1.30 1.2320 -4 3 5 4 77.57 1.86 1.2307 -3 4 5 4 78.26 1.09 1.2216 2 8 3 4 78.57 1.50 1.2176 -3 9 3 4 79.77 1.38 1.2022 -5 6 4 4 79.99 2.52 1.1994 1 2 5 4 80.70 2.43 1.1907 1 7 4 4 80.82 1.28 1.1892 -1 8 4 4 81.16 1.51 1.1851 -5 9 1 4 81.31 2.49 1.1833 -4 10 1 4 82.11 1.20 1.1738 -3 8 4 4 83.06 1.07 1.1628 -8 2 2 4 83.29 1.48 1.1601 -6 7 3 4 84.12 1.61 1.1508 0 10 3 4 84.49 2.53 1.1467 -7 3 4 4 84.56 1.76 1.1459 5 7 2 4 85.23 1.78 1.1386 -8 3 1 4 85.24 1.33 1.1385 -4 8 4 4 85.95 2.81 1.1309 1 12 0 4 86.26 1.33 1.1276 6 5 2 4 86.80 1.11 1.1220 0 12 1 4 86.96 1.28 1.1204 1 10 3 4 87.24 1.18 1.1175 3 10 2 4 87.50 2.13 1.1149 -5 5 5 4 87.68 2.60 1.1130 2 3 5 4 87.88 1.77 1.1110 5 9 1 4 87.89 1.87 1.1108 -8 3 3 4 88.89 1.20 1.1010 -2 7 5 4 89.15 3.15 1.0985 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.