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: S1Se2-11 _database_code_amcsd 0004882 CELL PARAMETERS: 9.4592 13.6345 6.6501 90.000 106.382 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 822.854 Density (g/cm3): 4.037 MAX. ABS. INTENSITY / VOLUME**2: 18.26551302 RIR: 1.473 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.71 6.23 7.5547 1 1 0 4 12.99 10.09 6.8172 0 2 0 2 14.55 36.19 6.0896 -1 0 1 2 15.33 57.53 5.7787 0 1 1 4 15.94 26.18 5.5602 -1 1 1 4 16.26 100.00 5.4507 1 2 0 4 19.05 11.25 4.6583 0 2 1 4 19.13 6.32 4.6399 1 0 1 2 19.55 1.19 4.5416 -1 2 1 4 19.56 3.55 4.5376 2 0 0 2 20.63 1.22 4.3054 2 1 0 4 21.59 16.00 4.1159 -2 1 1 4 21.87 1.50 4.0637 1 3 0 4 23.19 2.85 3.8357 1 2 1 4 23.55 12.74 3.7774 2 2 0 4 24.04 5.58 3.7017 0 3 1 4 24.40 7.24 3.6474 -2 2 1 4 26.14 1.83 3.4086 0 4 0 2 27.68 9.19 3.2224 -1 1 2 4 27.78 38.04 3.2111 2 3 0 4 27.96 42.25 3.1910 1 4 0 4 27.97 43.68 3.1901 0 0 2 2 28.74 12.06 3.1062 0 1 2 4 28.88 43.59 3.0917 -3 0 1 2 29.63 11.70 3.0152 -3 1 1 4 29.72 17.42 3.0065 0 4 1 4 29.96 23.54 2.9822 -1 2 2 4 30.07 20.31 2.9716 -2 1 2 4 30.19 48.66 2.9600 2 2 1 4 30.26 2.08 2.9532 3 1 0 4 30.95 15.27 2.8894 0 2 2 4 31.78 22.35 2.8157 -3 2 1 4 32.20 2.97 2.7801 -2 2 2 4 32.38 15.78 2.7651 3 2 0 4 32.60 54.55 2.7470 1 4 1 4 32.86 18.12 2.7253 2 4 0 4 32.94 23.07 2.7189 1 1 2 4 33.50 9.14 2.6753 -2 4 1 4 33.66 2.86 2.6628 2 3 1 4 34.34 17.07 2.6116 1 5 0 4 34.35 6.80 2.6111 0 3 2 4 34.91 1.64 2.5699 1 2 2 4 35.10 4.77 2.5563 -3 3 1 4 35.27 18.85 2.5444 -3 1 2 4 35.65 11.35 2.5182 3 3 0 4 36.09 17.73 2.4888 -1 5 1 4 36.28 7.23 2.4763 3 0 1 2 36.89 8.65 2.4365 3 1 1 4 37.14 9.27 2.4210 -3 2 2 4 37.85 8.48 2.3770 -1 4 2 4 38.04 1.31 2.3657 2 4 1 4 38.52 1.68 2.3373 2 5 0 4 38.69 4.76 2.3275 3 2 1 4 38.82 1.53 2.3199 2 0 2 2 39.66 16.85 2.2724 0 6 0 2 39.73 2.47 2.2688 4 0 0 2 39.84 4.93 2.2625 3 4 0 4 40.07 7.02 2.2502 -3 3 2 4 40.30 2.67 2.2380 4 1 0 4 40.48 3.05 2.2284 -4 2 1 4 40.76 15.85 2.2140 -1 0 3 2 40.94 10.41 2.2044 1 6 0 4 41.10 4.14 2.1962 2 2 2 4 41.31 6.19 2.1853 -1 1 3 4 41.85 10.03 2.1587 -4 0 2 2 41.97 4.41 2.1527 4 2 0 4 42.05 13.19 2.1487 -2 1 3 4 42.39 3.60 2.1321 -4 1 2 4 42.46 4.47 2.1290 -1 6 1 4 43.05 2.12 2.1013 0 1 3 4 43.67 5.61 2.0729 -2 2 3 4 43.91 1.15 2.0621 -3 4 2 4 44.00 5.08 2.0580 -4 2 2 4 44.59 1.90 2.0319 2 6 0 4 44.64 3.21 2.0299 -3 0 3 2 44.74 1.91 2.0254 3 5 0 4 45.09 1.29 2.0109 -2 6 1 4 45.16 1.10 2.0077 -3 1 3 4 45.26 5.92 2.0035 3 4 1 4 45.58 2.10 1.9904 -1 3 3 4 46.70 4.92 1.9449 1 5 2 4 47.03 3.05 1.9322 1 1 3 4 47.76 1.57 1.9044 1 7 0 4 48.09 2.36 1.8921 4 2 1 4 48.10 1.64 1.8918 -5 0 1 2 48.51 13.30 1.8765 1 2 3 4 48.57 4.91 1.8746 -1 6 2 4 48.59 2.14 1.8739 -5 1 1 4 48.72 15.19 1.8690 2 6 1 4 48.83 1.85 1.8650 3 2 2 4 49.23 9.54 1.8508 0 6 2 4 49.80 14.84 1.8310 -3 6 1 4 50.01 2.19 1.8237 -4 4 2 4 50.04 19.02 1.8229 -5 2 1 4 50.21 1.06 1.8169 3 6 0 4 50.50 11.94 1.8071 4 3 1 4 50.59 3.78 1.8043 0 4 3 4 50.91 3.34 1.7935 1 3 3 4 51.22 6.08 1.7836 -4 5 1 4 51.22 1.90 1.7834 3 3 2 4 51.47 1.58 1.7755 -2 7 1 4 51.73 2.02 1.7670 2 5 2 4 52.02 2.47 1.7581 1 6 2 4 52.15 1.72 1.7539 5 2 0 4 52.39 2.40 1.7466 -5 3 1 4 52.47 7.09 1.7440 -3 4 3 4 52.87 1.42 1.7316 2 1 3 4 53.30 12.90 1.7188 -1 5 3 4 53.66 7.07 1.7081 -3 6 2 4 53.79 5.88 1.7043 0 8 0 2 54.01 6.65 1.6979 -4 3 3 4 54.15 15.29 1.6939 1 4 3 4 54.19 3.76 1.6925 -4 5 2 4 54.24 9.94 1.6912 2 2 3 4 54.50 3.13 1.6836 -5 3 2 4 54.74 3.63 1.6770 0 5 3 4 54.81 2.85 1.6750 1 8 0 4 54.83 3.91 1.6743 3 6 1 4 55.26 1.12 1.6624 0 7 2 4 55.41 4.39 1.6582 -2 0 4 2 55.56 7.01 1.6541 -5 4 1 4 55.78 1.31 1.6480 -3 7 1 4 56.05 2.74 1.6408 -2 7 2 4 56.16 2.49 1.6377 3 7 0 4 56.22 5.11 1.6362 -4 6 1 4 56.93 5.22 1.6175 5 1 1 4 57.06 2.23 1.6140 -5 1 3 4 57.12 2.17 1.6126 -4 4 3 4 57.72 7.15 1.5972 4 2 2 4 57.74 1.97 1.5966 4 5 1 4 57.79 1.12 1.5955 2 8 0 4 58.18 3.32 1.5858 -1 6 3 4 58.23 1.82 1.5844 5 2 1 4 58.75 1.66 1.5716 -2 6 3 4 59.02 3.21 1.5651 -4 6 2 4 59.37 2.99 1.5567 -3 7 2 4 60.25 2.24 1.5360 -6 1 2 4 60.32 5.61 1.5344 -6 2 1 4 60.85 5.47 1.5224 -4 0 4 2 61.23 1.97 1.5139 -3 6 3 4 61.26 2.99 1.5130 -4 1 4 4 61.27 5.68 1.5129 2 8 1 4 61.48 1.33 1.5083 3 2 3 4 61.71 2.20 1.5032 0 8 2 4 62.24 1.72 1.4917 2 7 2 4 62.25 3.40 1.4915 1 1 4 4 62.26 2.74 1.4911 -2 4 4 4 62.41 3.83 1.4880 -6 3 1 4 62.51 1.38 1.4858 -4 2 4 4 62.78 6.73 1.4800 4 4 2 4 63.27 5.00 1.4698 5 4 1 4 63.40 2.26 1.4671 -5 4 3 4 63.57 1.54 1.4635 -6 3 2 4 63.92 2.58 1.4563 -3 4 4 4 64.17 1.31 1.4513 -2 7 3 4 64.89 3.94 1.4370 2 9 0 4 64.92 1.97 1.4364 0 7 3 4 65.51 1.00 1.4248 1 3 4 4 65.57 1.31 1.4237 -3 8 2 4 65.93 1.60 1.4168 -2 5 4 4 66.41 1.21 1.4077 5 1 2 4 67.60 2.80 1.3857 5 2 2 4 68.04 3.41 1.3780 -1 9 2 4 69.96 1.51 1.3448 -6 5 2 4 70.38 2.90 1.3377 -4 8 2 4 70.65 1.10 1.3333 0 10 1 4 71.08 2.20 1.3262 6 3 1 4 73.46 1.18 1.2891 -6 1 4 4 75.11 1.12 1.2648 -4 6 4 4 76.21 1.58 1.2493 3 2 4 4 77.69 1.10 1.2291 -4 3 5 4 77.79 1.51 1.2278 -3 4 5 4 78.84 1.14 1.2141 -3 9 3 4 80.01 1.08 1.1992 -5 6 4 4 80.09 1.88 1.1982 1 2 5 4 80.87 1.90 1.1887 1 7 4 4 81.37 1.20 1.1825 -5 9 1 4 81.56 1.74 1.1803 -4 10 1 4 84.39 1.25 1.1478 0 10 3 4 84.65 1.25 1.1450 5 7 2 4 84.70 2.12 1.1443 -7 3 4 4 85.28 1.31 1.1380 -8 3 1 4 85.53 1.02 1.1354 -4 8 4 4 86.28 1.93 1.1274 1 12 0 4 87.77 1.75 1.1121 2 3 5 4 87.77 1.71 1.1120 -5 5 5 4 88.04 1.23 1.1094 5 9 1 4 88.06 1.32 1.1092 -8 3 3 4 89.18 2.53 1.0981 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.