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: S1Se0-4 _database_code_amcsd 0004858 CELL PARAMETERS: 9.3389 13.5871 6.5981 90.000 106.500 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 802.746 Density (g/cm3): 3.540 MAX. ABS. INTENSITY / VOLUME**2: 19.97012691 RIR: 1.837 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.84 8.04 7.4767 1 1 0 4 13.03 5.76 6.7936 0 2 0 2 14.67 41.58 6.0379 -1 0 1 2 15.45 44.31 5.7352 0 1 1 4 16.06 25.94 5.5176 -1 1 1 4 16.38 100.00 5.4122 1 2 0 4 19.17 10.03 4.6298 0 2 1 4 19.34 2.15 4.5891 1 0 1 2 19.67 1.20 4.5130 -1 2 1 4 20.89 4.48 4.2523 2 1 0 4 21.81 21.43 4.0745 -2 1 1 4 21.99 2.95 4.0415 1 3 0 4 23.39 3.88 3.8027 1 2 1 4 23.80 7.21 3.7383 2 2 0 4 24.17 5.09 3.6826 0 3 1 4 24.62 9.19 3.6158 -2 2 1 4 27.67 2.53 3.2235 1 3 1 4 27.90 1.12 3.1980 -1 1 2 4 28.02 31.01 3.1840 2 3 0 4 28.10 24.64 3.1759 1 4 0 4 28.21 41.90 3.1632 0 0 2 2 28.27 3.03 3.1568 2 1 1 4 28.73 1.64 3.1073 -2 3 1 4 28.98 6.56 3.0808 0 1 2 4 29.23 32.81 3.0549 -3 0 1 2 29.86 20.09 2.9927 0 4 1 4 29.98 6.77 2.9805 -3 1 1 4 30.18 23.19 2.9614 -1 2 2 4 30.33 15.11 2.9471 -2 1 2 4 30.52 50.74 2.9286 2 2 1 4 30.67 1.63 2.9153 3 1 0 4 31.19 8.70 2.8676 0 2 2 4 32.13 11.09 2.7862 -3 2 1 4 32.45 1.44 2.7588 -2 2 2 4 32.77 12.07 2.7327 3 2 0 4 32.80 41.26 2.7302 1 4 1 4 33.10 9.58 2.7061 2 4 0 4 33.27 14.13 2.6930 1 1 2 4 33.71 5.97 2.6585 -2 4 1 4 34.49 16.90 2.6003 1 5 0 4 34.59 2.19 2.5933 0 3 2 4 35.44 2.17 2.5326 -3 3 1 4 35.62 12.54 2.5202 -3 1 2 4 35.74 1.75 2.5120 -2 3 2 4 36.04 13.47 2.4922 3 3 0 4 36.25 15.65 2.4780 -1 5 1 4 36.76 9.58 2.4447 3 0 1 2 37.37 4.44 2.4061 3 1 1 4 37.48 9.00 2.3994 -3 2 2 4 38.08 6.66 2.3634 -1 4 2 4 38.36 1.68 2.3466 2 4 1 4 39.16 2.60 2.3003 3 2 1 4 39.26 1.40 2.2945 2 0 2 2 39.81 13.37 2.2645 0 6 0 2 40.22 5.04 2.2421 3 4 0 4 40.29 1.91 2.2386 4 0 0 2 40.42 11.13 2.2317 -3 3 2 4 40.85 2.10 2.2088 4 1 0 4 40.97 1.96 2.2028 -4 2 1 4 41.09 12.06 2.1966 -1 0 3 2 41.12 9.62 2.1954 1 6 0 4 41.54 3.06 2.1739 2 2 2 4 41.65 6.88 2.1684 -1 1 3 4 42.32 9.81 2.1355 -4 0 2 2 42.40 11.45 2.1320 -2 1 3 4 42.52 4.84 2.1261 4 2 0 4 42.64 4.18 2.1203 -1 6 1 4 42.87 4.10 2.1096 -4 1 2 4 43.43 2.86 2.0838 0 1 3 4 44.01 4.75 2.0573 -2 2 3 4 44.25 1.80 2.0468 -3 4 2 4 44.47 4.19 2.0372 -4 2 2 4 44.85 2.65 2.0207 2 6 0 4 45.04 2.02 2.0126 -3 0 3 2 45.12 2.07 2.0094 3 5 0 4 45.33 1.04 2.0007 -2 6 1 4 45.56 1.27 1.9909 -3 1 3 4 45.72 4.49 1.9842 3 4 1 4 45.92 2.19 1.9764 -1 3 3 4 47.03 3.21 1.9321 1 5 2 4 47.49 1.45 1.9145 1 1 3 4 48.72 2.01 1.8689 4 2 1 4 48.75 1.92 1.8678 -5 0 1 2 48.82 4.88 1.8654 -1 6 2 4 48.98 8.46 1.8599 1 2 3 4 49.05 12.32 1.8572 2 6 1 4 49.09 1.04 1.8556 0 7 1 4 49.24 2.80 1.8504 -5 1 1 4 49.42 1.42 1.8442 3 2 2 4 49.50 7.34 1.8413 0 6 2 4 50.15 10.65 1.8192 -3 6 1 4 50.48 1.74 1.8079 -4 4 2 4 50.60 1.84 1.8041 3 6 0 4 50.69 10.12 1.8010 -5 2 1 4 50.79 1.40 1.7975 -4 1 3 4 50.97 2.94 1.7916 0 4 3 4 51.14 6.42 1.7863 4 3 1 4 51.38 2.34 1.7784 1 3 3 4 51.70 4.77 1.7682 -4 5 1 4 51.73 1.25 1.7671 -2 7 1 4 51.81 1.75 1.7647 3 3 2 4 52.17 1.58 1.7531 2 5 2 4 52.36 1.82 1.7475 1 6 2 4 52.87 1.80 1.7317 5 2 0 4 52.88 4.87 1.7315 -3 4 3 4 53.03 2.31 1.7267 -5 3 1 4 53.45 1.63 1.7141 2 1 3 4 53.65 11.77 1.7083 -1 5 3 4 53.99 4.38 1.6984 0 8 0 2 54.02 6.15 1.6975 -3 6 2 4 54.51 4.35 1.6835 -4 3 3 4 54.61 12.20 1.6805 1 4 3 4 54.66 3.19 1.6791 -4 5 2 4 54.82 9.15 1.6746 2 2 3 4 55.03 1.33 1.6686 1 8 0 4 55.12 2.99 1.6662 -5 3 2 4 55.13 3.04 1.6660 0 5 3 4 55.30 2.81 1.6613 3 6 1 4 55.88 2.34 1.6452 -2 0 4 2 56.14 2.24 1.6383 -3 7 1 4 56.20 5.94 1.6367 -5 4 1 4 56.35 1.49 1.6327 -2 7 2 4 56.56 1.59 1.6272 3 7 0 4 56.70 3.16 1.6234 -4 6 1 4 57.15 1.36 1.6118 2 6 2 4 57.62 1.43 1.5997 -4 4 3 4 57.75 3.97 1.5965 5 1 1 4 58.37 1.67 1.5810 4 5 1 4 58.47 4.79 1.5784 4 2 2 4 58.54 2.91 1.5767 -1 6 3 4 59.05 1.63 1.5644 5 2 1 4 59.13 1.57 1.5625 -2 6 3 4 59.50 1.91 1.5536 -4 6 2 4 59.75 2.55 1.5477 -3 7 2 4 60.95 1.88 1.5201 3 7 1 4 61.05 2.38 1.5179 -6 1 2 4 61.16 4.52 1.5154 -6 2 1 4 61.42 4.08 1.5095 -4 0 4 2 61.63 3.98 1.5048 2 8 1 4 61.66 2.07 1.5043 -3 6 3 4 61.84 2.49 1.5002 -4 1 4 4 62.02 1.86 1.4963 0 8 2 4 62.69 1.31 1.4819 2 7 2 4 62.75 1.15 1.4807 -2 4 4 4 62.88 3.00 1.4780 1 1 4 4 63.24 4.00 1.4703 -6 3 1 4 63.54 6.63 1.4643 4 4 2 4 64.03 1.51 1.4541 -5 4 3 4 64.08 4.35 1.4531 5 4 1 4 64.11 1.06 1.4525 1 2 4 4 64.37 1.43 1.4474 -6 3 2 4 64.44 1.85 1.4459 -3 4 4 4 64.57 1.45 1.4433 -2 7 3 4 65.22 4.02 1.4305 2 9 0 4 65.34 1.85 1.4281 0 7 3 4 66.15 1.34 1.4127 1 3 4 4 66.43 1.64 1.4074 -2 5 4 4 66.55 1.26 1.4051 -5 6 2 4 67.10 1.17 1.3948 3 8 1 4 67.36 1.06 1.3902 5 1 2 4 68.37 2.47 1.3722 -1 9 2 4 68.55 2.58 1.3689 5 2 2 4 69.63 1.31 1.3503 -2 9 2 4 70.76 1.26 1.3315 -6 5 2 4 70.90 2.89 1.3293 -4 8 2 4 70.95 1.29 1.3284 0 10 1 4 71.50 1.19 1.3196 -4 5 4 4 71.88 1.06 1.3134 -2 1 5 4 72.11 1.86 1.3098 6 3 1 4 74.14 1.01 1.2790 4 8 1 4 74.29 1.35 1.2767 -6 1 4 4 75.39 1.23 1.2608 -4 1 5 4 77.14 1.48 1.2365 3 2 4 4 78.42 1.02 1.2195 -4 3 5 4 78.47 1.73 1.2188 -3 4 5 4 80.95 1.33 1.1877 1 2 5 4 81.56 1.53 1.1803 1 7 4 4 82.08 1.32 1.1741 -5 9 1 4 84.90 1.33 1.1422 0 10 3 4 85.74 1.88 1.1331 -7 3 4 4 86.67 1.11 1.1233 1 12 0 4 87.53 1.02 1.1145 0 12 1 4 88.63 1.65 1.1035 -5 5 5 4 88.79 1.18 1.1019 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.