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: S1Se1-6 _database_code_amcsd 0004864 CELL PARAMETERS: 9.4461 13.6429 6.6526 90.000 106.550 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 821.817 Density (g/cm3): 4.053 MAX. ABS. INTENSITY / VOLUME**2: 18.25580142 RIR: 1.467 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.73 6.78 7.5443 1 1 0 4 12.98 9.17 6.8215 0 2 0 2 14.53 36.61 6.0947 -1 0 1 2 15.34 56.01 5.7770 0 1 1 4 15.93 26.32 5.5647 -1 1 1 4 16.27 100.00 5.4484 1 2 0 4 19.05 11.03 4.6584 0 2 1 4 19.17 6.54 4.6297 1 0 1 2 19.53 1.38 4.5449 -1 2 1 4 19.61 3.46 4.5274 2 0 0 2 20.67 1.11 4.2970 2 1 0 4 21.59 15.63 4.1163 -2 1 1 4 21.87 1.37 4.0639 1 3 0 4 23.22 2.83 3.8308 1 2 1 4 23.59 12.49 3.7722 2 2 0 4 24.04 5.77 3.7026 0 3 1 4 24.40 7.40 3.6482 -2 2 1 4 26.13 1.91 3.4107 0 4 0 2 27.67 9.73 3.2241 -1 1 2 4 27.81 39.48 3.2085 2 3 0 4 27.95 44.09 3.1918 1 4 0 4 27.98 43.75 3.1885 0 0 2 2 28.75 13.03 3.1048 0 1 2 4 28.90 44.33 3.0896 -3 0 1 2 29.31 1.14 3.0474 -2 0 2 2 29.65 12.52 3.0133 -3 1 1 4 29.70 18.23 3.0076 0 4 1 4 29.95 24.51 2.9839 -1 2 2 4 30.05 20.94 2.9741 -2 1 2 4 30.26 49.34 2.9540 2 2 1 4 30.33 2.37 2.9470 3 1 0 4 30.96 15.90 2.8885 0 2 2 4 31.80 22.91 2.8144 -3 2 1 4 32.17 3.30 2.7823 -2 2 2 4 32.44 15.81 2.7601 3 2 0 4 32.61 56.65 2.7460 1 4 1 4 32.88 18.28 2.7242 2 4 0 4 32.99 23.68 2.7150 1 1 2 4 33.48 9.69 2.6764 -2 4 1 4 33.71 2.56 2.6587 2 3 1 4 34.33 18.09 2.6125 1 5 0 4 34.35 7.45 2.6107 0 3 2 4 34.96 1.93 2.5668 1 2 2 4 35.11 5.23 2.5556 -3 3 1 4 35.26 19.65 2.5457 -3 1 2 4 35.70 11.44 2.5148 3 3 0 4 36.07 17.96 2.4904 -1 5 1 4 36.38 7.00 2.4696 3 0 1 2 36.99 8.81 2.4301 3 1 1 4 37.11 9.26 2.4223 -3 2 2 4 37.83 8.98 2.3783 -1 4 2 4 38.08 1.21 2.3631 2 4 1 4 38.52 1.85 2.3370 2 5 0 4 38.78 5.05 2.3221 3 2 1 4 38.91 1.71 2.3149 2 0 2 2 39.64 17.00 2.2738 0 6 0 2 39.82 2.53 2.2637 4 0 0 2 39.88 5.15 2.2603 3 4 0 4 40.05 7.10 2.2514 -3 3 2 4 40.39 2.71 2.2332 4 1 0 4 40.52 3.24 2.2263 -4 2 1 4 40.74 16.88 2.2145 -1 0 3 2 40.92 10.93 2.2053 1 6 0 4 41.18 4.27 2.1921 2 2 2 4 41.30 6.19 2.1859 -1 1 3 4 41.85 10.28 2.1588 -4 0 2 2 42.02 13.66 2.1503 -2 1 3 4 42.06 4.56 2.1485 4 2 0 4 42.39 3.70 2.1322 -4 1 2 4 42.43 4.78 2.1304 -1 6 1 4 42.91 1.10 2.1075 -1 5 2 4 43.07 1.93 2.1003 0 1 3 4 43.63 6.03 2.0744 -2 2 3 4 43.88 1.17 2.0633 -3 4 2 4 44.00 5.47 2.0582 -4 2 2 4 44.59 2.10 2.0319 2 6 0 4 44.60 3.52 2.0316 -3 0 3 2 44.78 1.89 2.0241 3 5 0 4 45.06 1.32 2.0119 -2 6 1 4 45.12 1.04 2.0094 -3 1 3 4 45.34 6.33 2.0003 3 4 1 4 45.56 2.22 1.9910 -1 3 3 4 46.22 1.04 1.9640 -2 3 3 4 46.73 5.24 1.9440 1 5 2 4 47.09 3.18 1.9299 1 1 3 4 47.73 1.71 1.9053 1 7 0 4 48.17 1.76 1.8892 -5 0 1 2 48.21 2.47 1.8875 4 2 1 4 48.54 5.29 1.8757 -1 6 2 4 48.57 14.01 1.8745 1 2 3 4 48.66 2.34 1.8714 -5 1 1 4 48.74 16.08 1.8682 2 6 1 4 48.95 2.03 1.8607 3 2 2 4 49.22 9.92 1.8513 0 6 2 4 49.79 15.47 1.8313 -3 6 1 4 50.00 2.30 1.8241 -4 4 2 4 50.10 20.09 1.8207 -5 2 1 4 50.24 1.09 1.8161 3 6 0 4 50.60 4.13 1.8040 0 4 3 4 50.62 13.18 1.8032 4 3 1 4 50.97 3.76 1.7918 1 3 3 4 51.24 6.79 1.7829 -4 5 1 4 51.33 1.94 1.7798 3 3 2 4 51.44 1.61 1.7764 -2 7 1 4 51.79 1.99 1.7652 2 5 2 4 52.03 2.71 1.7576 1 6 2 4 52.26 1.81 1.7503 5 2 0 4 52.42 7.59 1.7454 -3 4 3 4 52.45 2.64 1.7447 -5 3 1 4 52.97 1.51 1.7286 2 1 3 4 53.28 13.23 1.7195 -1 5 3 4 53.62 7.71 1.7091 -3 6 2 4 53.75 6.12 1.7054 0 8 0 2 53.97 6.98 1.6990 -4 3 3 4 54.18 4.15 1.6930 -4 5 2 4 54.19 16.31 1.6926 1 4 3 4 54.34 10.60 1.6884 2 2 3 4 54.52 3.33 1.6832 -5 3 2 4 54.74 4.18 1.6769 0 5 3 4 54.77 3.33 1.6759 1 8 0 4 54.89 3.97 1.6728 3 6 1 4 55.24 1.22 1.6629 0 7 2 4 55.38 4.64 1.6591 -2 0 4 2 55.61 7.09 1.6526 -5 4 1 4 55.77 1.31 1.6484 -3 7 1 4 56.01 3.15 1.6419 -2 7 2 4 56.13 1.00 1.6386 4 0 2 2 56.18 2.82 1.6373 3 7 0 4 56.23 5.82 1.6359 -4 6 1 4 57.04 2.47 1.6146 -5 1 3 4 57.08 2.50 1.6137 -4 4 3 4 57.09 5.86 1.6133 5 1 1 4 57.77 1.18 1.5959 2 8 0 4 57.84 2.12 1.5941 4 5 1 4 57.88 7.65 1.5933 4 2 2 4 58.15 3.57 1.5864 -1 6 3 4 58.39 1.75 1.5805 5 2 1 4 58.71 1.75 1.5727 -2 6 3 4 59.00 3.43 1.5656 -4 6 2 4 59.33 3.20 1.5576 -3 7 2 4 60.30 2.39 1.5350 -6 1 2 4 60.42 5.89 1.5322 -6 2 1 4 60.52 1.02 1.5299 3 7 1 4 60.79 6.03 1.5237 -4 0 4 2 61.18 2.19 1.5150 -3 6 3 4 61.21 3.34 1.5143 -4 1 4 4 61.27 6.27 1.5128 2 8 1 4 61.62 1.44 1.5052 3 2 3 4 61.68 2.36 1.5038 0 8 2 4 62.23 3.19 1.4919 -2 4 4 4 62.27 1.93 1.4909 2 7 2 4 62.32 3.65 1.4899 1 1 4 4 62.45 1.50 1.4870 -4 2 4 4 62.50 4.27 1.4860 -6 3 1 4 62.93 7.09 1.4770 4 4 2 4 63.09 1.07 1.4735 6 2 0 4 63.32 1.09 1.4687 2 5 3 4 63.37 2.47 1.4677 -5 4 3 4 63.42 5.18 1.4668 5 4 1 4 63.55 1.06 1.4640 1 2 4 4 63.61 1.62 1.4627 -6 3 2 4 63.87 2.94 1.4574 -3 4 4 4 64.13 1.31 1.4522 -2 7 3 4 64.87 4.23 1.4374 2 9 0 4 64.91 2.03 1.4365 0 7 3 4 65.53 1.42 1.4245 -3 8 2 4 65.89 1.74 1.4176 -2 5 4 4 66.61 1.34 1.4040 5 1 2 4 67.80 3.04 1.3822 5 2 2 4 67.99 3.79 1.3788 -1 9 2 4 69.99 1.70 1.3443 -6 5 2 4 70.35 3.21 1.3382 -4 8 2 4 70.60 1.25 1.3341 0 10 1 4 70.84 1.02 1.3302 0 8 3 4 71.28 2.40 1.3231 6 3 1 4 73.41 1.29 1.2898 -6 1 4 4 75.04 1.28 1.2658 -4 6 4 4 75.83 1.03 1.2546 -5 5 4 4 76.37 1.82 1.2470 3 2 4 4 77.62 1.21 1.2300 -4 3 5 4 77.73 1.70 1.2286 -3 4 5 4 78.47 1.00 1.2188 2 8 3 4 78.77 1.30 1.2149 -3 9 3 4 79.95 1.28 1.2000 -5 6 4 4 80.18 2.13 1.1971 1 2 5 4 80.91 2.12 1.1881 1 7 4 4 81.02 1.05 1.1868 -1 8 4 4 81.39 1.40 1.1823 -5 9 1 4 81.54 1.99 1.1805 -4 10 1 4 83.50 1.22 1.1577 -6 7 3 4 84.36 1.43 1.1482 0 10 3 4 84.67 2.37 1.1447 -7 3 4 4 84.81 1.41 1.1432 5 7 2 4 85.45 1.14 1.1362 -4 8 4 4 85.45 1.55 1.1362 -8 3 1 4 86.22 2.25 1.1281 1 12 0 4 86.51 1.10 1.1250 6 5 2 4 87.07 1.02 1.1193 0 12 1 4 87.21 1.09 1.1178 1 10 3 4 87.50 1.02 1.1148 3 10 2 4 87.69 1.95 1.1129 -5 5 5 4 87.91 2.12 1.1107 2 3 5 4 88.10 1.55 1.1087 -8 3 3 4 88.14 1.48 1.1084 5 9 1 4 89.10 1.10 1.0989 -2 7 5 4 89.40 2.83 1.0960 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.