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: S1Se0-3 _database_code_amcsd 0004857 CELL PARAMETERS: 9.3420 13.5666 6.5961 90.000 106.531 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 801.430 Density (g/cm3): 3.546 MAX. ABS. INTENSITY / VOLUME**2: 19.98685446 RIR: 1.835 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.84 8.01 7.4742 1 1 0 4 13.05 5.71 6.7833 0 2 0 2 14.67 41.64 6.0382 -1 0 1 2 15.46 44.42 5.7314 0 1 1 4 16.07 26.05 5.5164 -1 1 1 4 16.39 100.00 5.4073 1 2 0 4 19.19 10.08 4.6254 0 2 1 4 19.35 2.20 4.5871 1 0 1 2 19.68 1.20 4.5101 -1 2 1 4 20.89 4.46 4.2523 2 1 0 4 21.81 21.44 4.0752 -2 1 1 4 22.02 2.93 4.0368 1 3 0 4 23.41 3.86 3.7998 1 2 1 4 23.81 7.16 3.7371 2 2 0 4 24.20 5.12 3.6784 0 3 1 4 24.63 9.23 3.6151 -2 2 1 4 27.70 2.51 3.2204 1 3 1 4 27.91 1.11 3.1970 -1 1 2 4 28.04 30.84 3.1819 2 3 0 4 28.13 24.50 3.1718 1 4 0 4 28.23 41.77 3.1617 0 0 2 2 28.28 3.00 3.1558 2 1 1 4 28.75 1.62 3.1056 -2 3 1 4 29.00 6.51 3.0792 0 1 2 4 29.22 32.76 3.0561 -3 0 1 2 29.89 19.83 2.9889 0 4 1 4 29.97 6.76 2.9814 -3 1 1 4 30.19 22.97 2.9599 -1 2 2 4 30.33 15.18 2.9470 -2 1 2 4 30.54 50.45 2.9272 2 2 1 4 30.66 1.60 2.9155 3 1 0 4 31.21 8.66 2.8657 0 2 2 4 32.12 11.01 2.7863 -3 2 1 4 32.46 1.42 2.7582 -2 2 2 4 32.78 12.03 2.7324 3 2 0 4 32.84 40.89 2.7271 1 4 1 4 33.13 9.56 2.7037 2 4 0 4 33.29 13.98 2.6916 1 1 2 4 33.74 5.93 2.6564 -2 4 1 4 34.54 16.63 2.5968 1 5 0 4 34.62 2.16 2.5912 0 3 2 4 35.45 2.14 2.5321 -3 3 1 4 35.62 12.44 2.5207 -3 1 2 4 35.76 1.71 2.5109 -2 3 2 4 36.05 13.38 2.4914 3 3 0 4 36.30 15.54 2.4749 -1 5 1 4 36.77 9.54 2.4444 3 0 1 2 37.38 4.41 2.4056 3 1 1 4 37.48 8.94 2.3995 -3 2 2 4 38.11 6.56 2.3614 -1 4 2 4 38.39 1.67 2.3446 2 4 1 4 39.17 2.58 2.2996 3 2 1 4 39.28 1.37 2.2936 2 0 2 2 39.87 13.21 2.2611 0 6 0 2 40.24 4.99 2.2409 3 4 0 4 40.28 1.91 2.2390 4 0 0 2 40.42 11.09 2.2313 -3 3 2 4 40.85 2.08 2.2091 4 1 0 4 40.97 1.93 2.2031 -4 2 1 4 41.11 11.95 2.1958 -1 0 3 2 41.18 9.46 2.1923 1 6 0 4 41.56 3.05 2.1727 2 2 2 4 41.67 6.78 2.1676 -1 1 3 4 42.31 9.69 2.1362 -4 0 2 2 42.41 11.30 2.1316 -2 1 3 4 42.52 4.77 2.1261 4 2 0 4 42.70 4.09 2.1175 -1 6 1 4 42.85 4.07 2.1102 -4 1 2 4 43.45 2.86 2.0828 0 1 3 4 44.03 4.70 2.0568 -2 2 3 4 44.27 1.76 2.0460 -3 4 2 4 44.46 4.18 2.0376 -4 2 2 4 44.91 2.60 2.0184 2 6 0 4 45.04 1.99 2.0127 -3 0 3 2 45.16 2.06 2.0079 3 5 0 4 45.38 1.01 1.9985 -2 6 1 4 45.56 1.26 1.9909 -3 1 3 4 45.75 4.48 1.9830 3 4 1 4 45.94 2.16 1.9753 -1 3 3 4 47.08 3.13 1.9301 1 5 2 4 47.52 1.43 1.9135 1 1 3 4 48.73 1.96 1.8685 4 2 1 4 48.74 1.89 1.8684 -5 0 1 2 48.88 4.81 1.8634 -1 6 2 4 49.01 8.34 1.8588 1 2 3 4 49.11 12.14 1.8551 2 6 1 4 49.17 1.02 1.8530 0 7 1 4 49.23 2.75 1.8509 -5 1 1 4 49.44 1.37 1.8434 3 2 2 4 49.56 7.23 1.8392 0 6 2 4 50.19 10.47 1.8177 -3 6 1 4 50.49 1.72 1.8076 -4 4 2 4 50.64 1.79 1.8024 3 6 0 4 50.68 10.05 1.8013 -5 2 1 4 50.79 1.37 1.7978 -4 1 3 4 51.01 2.89 1.7903 0 4 3 4 51.15 6.29 1.7858 4 3 1 4 51.41 2.31 1.7773 1 3 3 4 51.72 4.66 1.7674 -4 5 1 4 51.80 1.22 1.7650 -2 7 1 4 51.83 1.72 1.7638 3 3 2 4 52.22 1.56 1.7516 2 5 2 4 52.42 1.79 1.7456 1 6 2 4 52.87 1.77 1.7318 5 2 0 4 52.90 4.77 1.7309 -3 4 3 4 53.03 2.28 1.7268 -5 3 1 4 53.48 1.59 1.7133 2 1 3 4 53.70 11.61 1.7069 -1 5 3 4 54.06 6.04 1.6963 -3 6 2 4 54.08 4.30 1.6958 0 8 0 2 54.51 4.27 1.6834 -4 3 3 4 54.66 11.91 1.6793 1 4 3 4 54.68 3.11 1.6785 -4 5 2 4 54.85 8.99 1.6737 2 2 3 4 55.12 2.94 1.6663 -5 3 2 4 55.12 1.28 1.6662 1 8 0 4 55.18 2.96 1.6646 0 5 3 4 55.35 2.78 1.6599 3 6 1 4 55.90 2.31 1.6448 -2 0 4 2 56.20 2.18 1.6367 -3 7 1 4 56.21 5.83 1.6365 -5 4 1 4 56.42 1.44 1.6310 -2 7 2 4 56.62 1.57 1.6256 3 7 0 4 56.74 3.09 1.6224 -4 6 1 4 57.21 1.32 1.6102 2 6 2 4 57.63 1.40 1.5994 -4 4 3 4 57.75 3.90 1.5964 5 1 1 4 58.40 1.61 1.5801 4 5 1 4 58.49 4.69 1.5779 4 2 2 4 58.60 2.84 1.5752 -1 6 3 4 59.05 1.62 1.5643 5 2 1 4 59.18 1.52 1.5613 -2 6 3 4 59.53 1.88 1.5528 -4 6 2 4 59.81 2.49 1.5464 -3 7 2 4 61.01 1.83 1.5187 3 7 1 4 61.02 2.34 1.5184 -6 1 2 4 61.14 4.44 1.5157 -6 2 1 4 61.42 4.00 1.5095 -4 0 4 2 61.70 2.01 1.5034 -3 6 3 4 61.72 3.90 1.5029 2 8 1 4 61.84 2.45 1.5003 -4 1 4 4 62.11 1.82 1.4944 0 8 2 4 62.77 1.29 1.4803 2 7 2 4 62.79 1.12 1.4800 -2 4 4 4 62.91 2.91 1.4773 1 1 4 4 63.24 3.92 1.4705 -6 3 1 4 63.57 6.46 1.4636 4 4 2 4 64.04 1.48 1.4541 -5 4 3 4 64.10 4.26 1.4527 5 4 1 4 64.15 1.03 1.4517 1 2 4 4 64.35 1.40 1.4476 -6 3 2 4 64.47 1.81 1.4453 -3 4 4 4 64.63 1.40 1.4420 -2 7 3 4 65.32 3.92 1.4286 2 9 0 4 65.42 1.82 1.4267 0 7 3 4 66.19 1.31 1.4118 1 3 4 4 66.47 1.59 1.4066 -2 5 4 4 66.57 1.23 1.4046 -5 6 2 4 67.19 1.14 1.3933 3 8 1 4 67.37 1.01 1.3899 5 1 2 4 68.47 2.39 1.3704 -1 9 2 4 68.57 2.54 1.3685 5 2 2 4 69.73 1.28 1.3486 -2 9 2 4 70.76 1.22 1.3314 -6 5 2 4 70.96 2.80 1.3282 -4 8 2 4 71.07 1.22 1.3265 0 10 1 4 71.52 1.15 1.3191 -4 5 4 4 71.91 1.03 1.3130 -2 1 5 4 72.12 1.81 1.3096 6 3 1 4 74.27 1.30 1.2770 -6 1 4 4 75.39 1.19 1.2607 -4 1 5 4 77.18 1.41 1.2359 3 2 4 4 78.50 1.67 1.2184 -3 4 5 4 81.00 1.29 1.1871 1 2 5 4 81.64 1.47 1.1793 1 7 4 4 82.16 1.26 1.1732 -5 9 1 4 85.03 1.26 1.1408 0 10 3 4 85.73 1.81 1.1333 -7 3 4 4 86.83 1.07 1.1216 1 12 0 4 88.65 1.58 1.1033 -5 5 5 4 88.85 1.11 1.1013 2 3 5 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.