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: S1Se1-10 _database_code_amcsd 0004868 CELL PARAMETERS: 9.4725 13.6493 6.6579 90.000 106.542 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 825.192 Density (g/cm3): 4.105 MAX. ABS. INTENSITY / VOLUME**2: 18.35931037 RIR: 1.456 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.71 6.84 7.5603 1 1 0 4 12.97 9.19 6.8246 0 2 0 2 14.51 34.73 6.1026 -1 0 1 2 15.33 57.99 5.7815 0 1 1 4 15.91 26.06 5.5711 -1 1 1 4 16.25 100.00 5.4556 1 2 0 4 19.04 11.09 4.6615 0 2 1 4 19.14 6.88 4.6372 1 0 1 2 19.51 1.33 4.5491 -1 2 1 4 19.55 4.00 4.5402 2 0 0 2 21.54 14.93 4.1247 -2 1 1 4 21.85 1.16 4.0677 1 3 0 4 23.19 2.42 3.8356 1 2 1 4 23.53 12.70 3.7801 2 2 0 4 24.02 5.87 3.7048 0 3 1 4 24.36 7.41 3.6544 -2 2 1 4 26.11 2.56 3.4123 0 4 0 2 27.64 10.80 3.2268 -1 1 2 4 27.76 40.06 3.2138 2 3 0 4 27.93 45.65 3.1942 1 4 0 4 27.96 42.98 3.1912 0 0 2 2 28.73 13.77 3.1074 0 1 2 4 28.82 44.95 3.0975 -3 0 1 2 29.27 1.31 3.0513 -2 0 2 2 29.57 13.37 3.0207 -3 1 1 4 29.69 17.44 3.0092 0 4 1 4 29.92 24.14 2.9861 -1 2 2 4 30.01 21.89 2.9778 -2 1 2 4 30.20 48.27 2.9594 2 2 1 4 30.25 2.37 2.9550 3 1 0 4 30.93 16.67 2.8908 0 2 2 4 31.72 24.91 2.8206 -3 2 1 4 32.13 3.47 2.7856 -2 2 2 4 32.36 15.93 2.7669 3 2 0 4 32.58 57.96 2.7484 1 4 1 4 32.83 19.41 2.7278 2 4 0 4 32.95 24.85 2.7182 1 1 2 4 33.44 10.10 2.6794 -2 4 1 4 33.66 3.12 2.6629 2 3 1 4 34.30 18.43 2.6143 1 5 0 4 34.32 8.17 2.6126 0 3 2 4 34.92 2.04 2.5696 1 2 2 4 35.05 5.56 2.5605 -3 3 1 4 35.19 20.67 2.5502 -3 1 2 4 35.63 11.10 2.5201 3 3 0 4 36.04 18.44 2.4919 -1 5 1 4 36.29 6.71 2.4755 3 0 1 2 36.90 9.63 2.4358 3 1 1 4 37.05 9.02 2.4263 -3 2 2 4 37.80 8.90 2.3799 -1 4 2 4 38.03 1.11 2.3663 2 4 1 4 38.48 1.90 2.3395 2 5 0 4 38.69 5.56 2.3272 3 2 1 4 38.84 1.71 2.3186 2 0 2 2 39.62 17.42 2.2749 0 6 0 2 39.70 2.41 2.2701 4 0 0 2 39.81 5.02 2.2644 3 4 0 4 39.99 6.85 2.2547 -3 3 2 4 40.27 2.78 2.2394 4 1 0 4 40.42 3.52 2.2318 -4 2 1 4 40.71 17.06 2.2162 -1 0 3 2 40.90 10.58 2.2067 1 6 0 4 41.12 4.20 2.1954 2 2 2 4 41.27 6.12 2.1876 -1 1 3 4 41.75 10.02 2.1635 -4 0 2 2 41.94 4.63 2.1541 4 2 0 4 41.98 13.98 2.1523 -2 1 3 4 42.30 3.70 2.1368 -4 1 2 4 42.40 4.50 2.1316 -1 6 1 4 42.89 1.51 2.1088 -1 5 2 4 43.03 1.85 2.1021 0 1 3 4 43.59 5.96 2.0763 -2 2 3 4 43.82 1.02 2.0660 -3 4 2 4 43.90 5.69 2.0624 -4 2 2 4 44.54 3.64 2.0342 -3 0 3 2 44.55 2.04 2.0339 2 6 0 4 44.70 1.87 2.0272 3 5 0 4 45.02 1.39 2.0136 -2 6 1 4 45.06 1.07 2.0120 -3 1 3 4 45.25 6.30 2.0038 3 4 1 4 45.53 2.31 1.9924 -1 3 3 4 46.18 1.08 1.9657 -2 3 3 4 46.69 5.53 1.9456 1 5 2 4 47.04 3.60 1.9320 1 1 3 4 47.70 1.82 1.9064 1 7 0 4 48.02 1.86 1.8945 -5 0 1 2 48.09 2.58 1.8920 4 2 1 4 48.51 5.27 1.8768 -1 6 2 4 48.51 2.37 1.8765 -5 1 1 4 48.52 14.68 1.8764 1 2 3 4 48.69 16.90 1.8701 2 6 1 4 48.86 2.23 1.8641 3 2 2 4 49.19 10.12 1.8524 0 6 2 4 49.73 16.10 1.8335 -3 6 1 4 49.91 2.33 1.8272 -4 4 2 4 49.96 21.51 1.8255 -5 2 1 4 50.17 1.03 1.8185 3 6 0 4 50.50 14.19 1.8071 4 3 1 4 50.56 4.21 1.8053 0 4 3 4 50.91 3.89 1.7936 1 3 3 4 51.14 7.11 1.7860 -4 5 1 4 51.24 1.97 1.7828 3 3 2 4 51.40 1.74 1.7777 -2 7 1 4 51.73 2.05 1.7672 2 5 2 4 51.99 2.74 1.7590 1 6 2 4 52.11 1.85 1.7550 5 2 0 4 52.31 2.69 1.7489 -5 3 1 4 52.36 7.96 1.7473 -3 4 3 4 52.90 1.51 1.7309 2 1 3 4 53.24 13.71 1.7206 -1 5 3 4 53.56 7.90 1.7109 -3 6 2 4 53.72 6.38 1.7062 0 8 0 2 53.88 7.31 1.7015 -4 3 3 4 54.09 4.19 1.6956 -4 5 2 4 54.14 16.62 1.6941 1 4 3 4 54.26 10.62 1.6906 2 2 3 4 54.39 3.48 1.6868 -5 3 2 4 54.70 4.36 1.6780 0 5 3 4 54.74 3.59 1.6768 1 8 0 4 54.81 4.10 1.6750 3 6 1 4 55.20 1.31 1.6639 0 7 2 4 55.33 5.12 1.6605 -2 0 4 2 55.48 7.27 1.6563 -5 4 1 4 55.70 1.29 1.6502 -3 7 1 4 55.96 3.29 1.6431 -2 7 2 4 56.00 1.03 1.6421 4 0 2 2 56.11 2.94 1.6392 3 7 0 4 56.14 6.15 1.6384 -4 6 1 4 56.92 2.68 1.6177 -5 1 3 4 56.93 6.09 1.6174 5 1 1 4 56.99 2.53 1.6159 -4 4 3 4 57.72 1.26 1.5971 2 8 0 4 57.73 2.15 1.5970 4 5 1 4 57.75 8.08 1.5965 4 2 2 4 58.11 3.67 1.5874 -1 6 3 4 58.23 1.77 1.5844 5 2 1 4 58.66 1.79 1.5738 -2 6 3 4 58.91 3.52 1.5677 -4 6 2 4 59.27 3.30 1.5591 -3 7 2 4 60.13 2.35 1.5389 -6 1 2 4 60.24 6.05 1.5363 -6 2 1 4 60.70 6.23 1.5256 -4 0 4 2 61.11 2.22 1.5164 -3 6 3 4 61.12 3.52 1.5162 -4 1 4 4 61.22 6.50 1.5140 2 8 1 4 61.51 1.62 1.5076 3 2 3 4 61.64 2.49 1.5046 0 8 2 4 62.17 3.39 1.4931 -2 4 4 4 62.21 2.07 1.4923 2 7 2 4 62.25 3.82 1.4914 1 1 4 4 62.32 4.31 1.4899 -6 3 1 4 62.37 1.58 1.4889 -4 2 4 4 62.80 7.37 1.4797 4 4 2 4 62.90 1.14 1.4775 6 2 0 4 63.25 1.13 1.4703 2 5 3 4 63.25 2.62 1.4702 -5 4 3 4 63.26 5.28 1.4700 5 4 1 4 63.45 1.70 1.4662 -6 3 2 4 63.80 3.12 1.4588 -3 4 4 4 64.08 1.39 1.4532 -2 7 3 4 64.81 4.36 1.4385 2 9 0 4 64.86 2.12 1.4375 0 7 3 4 65.46 1.53 1.4258 -3 8 2 4 65.83 1.79 1.4186 -2 5 4 4 66.44 1.40 1.4072 5 1 2 4 66.56 1.03 1.4048 3 8 1 4 67.63 3.05 1.3853 5 2 2 4 67.95 4.04 1.3795 -1 9 2 4 69.82 1.77 1.3471 -6 5 2 4 70.26 3.33 1.3397 -4 8 2 4 70.56 1.20 1.3347 0 10 1 4 70.79 1.08 1.3310 0 8 3 4 71.07 2.49 1.3264 6 3 1 4 73.26 1.31 1.2921 -6 1 4 4 74.95 1.32 1.2671 -4 6 4 4 75.71 1.08 1.2562 -5 5 4 4 76.25 1.86 1.2487 3 2 4 4 76.29 1.03 1.2482 -6 3 4 4 77.53 1.24 1.2313 -4 3 5 4 77.65 1.76 1.2296 -3 4 5 4 78.70 1.37 1.2159 -3 9 3 4 79.83 1.31 1.2015 -5 6 4 4 80.09 2.28 1.1983 1 2 5 4 80.83 2.25 1.1891 1 7 4 4 80.96 1.10 1.1875 -1 8 4 4 81.25 1.43 1.1840 -5 9 1 4 81.44 2.15 1.1818 -4 10 1 4 82.23 1.02 1.1724 -3 8 4 4 83.34 1.34 1.1596 -6 7 3 4 84.30 1.52 1.1488 0 10 3 4 84.47 2.44 1.1469 -7 3 4 4 84.64 1.59 1.1451 5 7 2 4 85.17 1.63 1.1393 -8 3 1 4 85.35 1.23 1.1373 -4 8 4 4 86.17 2.43 1.1286 1 12 0 4 86.29 1.16 1.1273 6 5 2 4 87.01 1.03 1.1198 0 12 1 4 87.14 1.16 1.1185 1 10 3 4 87.39 1.09 1.1159 3 10 2 4 87.56 2.00 1.1142 -5 5 5 4 87.79 2.33 1.1119 2 3 5 4 87.84 1.69 1.1114 -8 3 3 4 87.98 1.54 1.1100 5 9 1 4 89.03 1.14 1.0996 -2 7 5 4 89.23 2.98 1.0977 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.