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: S1Se1-17 _database_code_amcsd 0004872 CELL PARAMETERS: 9.3805 13.6021 6.6197 90.000 106.442 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 810.097 Density (g/cm3): 3.662 MAX. ABS. INTENSITY / VOLUME**2: 19.17346034 RIR: 1.705 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.79 7.52 7.5039 1 1 0 4 13.02 6.90 6.8011 0 2 0 2 14.62 40.39 6.0576 -1 0 1 2 15.40 47.17 5.7531 0 1 1 4 16.02 26.07 5.5337 -1 1 1 4 16.34 100.00 5.4254 1 2 0 4 19.12 10.63 4.6410 0 2 1 4 19.26 2.99 4.6091 1 0 1 2 19.63 1.12 4.5235 -1 2 1 4 20.80 3.52 4.2709 2 1 0 4 21.73 20.02 4.0890 -2 1 1 4 21.95 2.56 4.0489 1 3 0 4 23.31 3.55 3.8155 1 2 1 4 23.71 8.61 3.7520 2 2 0 4 24.12 5.33 3.6898 0 3 1 4 24.54 8.43 3.6268 -2 2 1 4 27.60 1.95 3.2323 1 3 1 4 27.81 2.55 3.2080 -1 1 2 4 27.94 33.11 3.1934 2 3 0 4 28.05 29.39 3.1809 1 4 0 4 28.11 42.84 3.1745 0 0 2 2 28.14 1.92 3.1710 2 1 1 4 28.66 1.32 3.1152 -2 3 1 4 28.88 7.83 3.0914 0 1 2 4 29.11 36.04 3.0676 -3 0 1 2 29.81 19.46 2.9976 0 4 1 4 29.86 7.88 2.9925 -3 1 1 4 30.09 23.34 2.9698 -1 2 2 4 30.23 16.37 2.9564 -2 1 2 4 30.40 50.90 2.9404 2 2 1 4 30.52 1.78 2.9286 3 1 0 4 31.09 10.67 2.8766 0 2 2 4 32.01 14.04 2.7963 -3 2 1 4 32.36 1.78 2.7668 -2 2 2 4 32.63 13.22 2.7440 3 2 0 4 32.73 44.72 2.7364 1 4 1 4 33.02 11.36 2.7127 2 4 0 4 33.14 16.60 2.7036 1 1 2 4 33.64 6.83 2.6642 -2 4 1 4 34.44 16.94 2.6040 1 5 0 4 34.49 3.22 2.6005 0 3 2 4 35.10 1.13 2.5563 1 2 2 4 35.33 2.80 2.5408 -3 3 1 4 35.50 13.86 2.5289 -3 1 2 4 35.90 13.11 2.5013 3 3 0 4 36.20 16.20 2.4817 -1 5 1 4 36.58 9.39 2.4564 3 0 1 2 37.19 5.57 2.4173 3 1 1 4 37.36 9.31 2.4072 -3 2 2 4 37.99 7.25 2.3686 -1 4 2 4 38.24 1.64 2.3536 2 4 1 4 38.98 3.07 2.3103 3 2 1 4 39.09 1.41 2.3046 2 0 2 2 39.76 14.15 2.2670 0 6 0 2 40.09 5.04 2.2492 3 4 0 4 40.09 2.10 2.2492 4 0 0 2 40.29 10.09 2.2383 -3 3 2 4 40.66 2.32 2.2191 4 1 0 4 40.80 2.23 2.2116 -4 2 1 4 40.95 12.92 2.2038 -1 0 3 2 41.06 10.18 2.1983 1 6 0 4 41.37 3.42 2.1827 2 2 2 4 41.51 6.68 2.1755 -1 1 3 4 42.15 10.06 2.1437 -4 0 2 2 42.26 12.14 2.1387 -2 1 3 4 42.32 4.76 2.1355 4 2 0 4 42.58 4.33 2.1232 -1 6 1 4 42.70 3.98 2.1175 -4 1 2 4 43.27 2.74 2.0912 0 1 3 4 43.87 5.12 2.0635 -2 2 3 4 44.13 1.64 2.0522 -3 4 2 4 44.30 4.28 2.0445 -4 2 2 4 44.77 2.46 2.0245 2 6 0 4 44.89 2.41 2.0192 -3 0 3 2 44.99 2.00 2.0149 3 5 0 4 45.25 1.14 2.0041 -2 6 1 4 45.41 1.22 1.9973 -3 1 3 4 45.56 4.82 1.9912 3 4 1 4 45.78 2.13 1.9821 -1 3 3 4 46.91 3.58 1.9370 1 5 2 4 47.30 1.75 1.9218 1 1 3 4 48.49 2.04 1.8773 4 2 1 4 48.52 1.83 1.8761 -5 0 1 2 48.73 5.03 1.8688 -1 6 2 4 48.78 9.76 1.8667 1 2 3 4 48.93 13.12 1.8614 2 6 1 4 49.01 2.68 1.8585 -5 1 1 4 49.19 1.52 1.8522 3 2 2 4 49.40 8.00 1.8449 0 6 2 4 50.03 11.70 1.8232 -3 6 1 4 50.32 1.89 1.8134 -4 4 2 4 50.46 12.15 1.8085 -5 2 1 4 50.46 1.59 1.8085 3 6 0 4 50.61 1.12 1.8036 -4 1 3 4 50.82 3.12 1.7968 0 4 3 4 50.90 7.74 1.7939 4 3 1 4 51.19 2.56 1.7846 1 3 3 4 51.53 5.01 1.7734 -4 5 1 4 51.58 1.78 1.7719 3 3 2 4 51.64 1.32 1.7699 -2 7 1 4 52.01 1.75 1.7584 2 5 2 4 52.23 2.05 1.7515 1 6 2 4 52.61 1.80 1.7395 5 2 0 4 52.72 5.58 1.7362 -3 4 3 4 52.81 2.30 1.7336 -5 3 1 4 53.22 1.50 1.7212 2 1 3 4 53.51 12.08 1.7124 -1 5 3 4 53.89 6.36 1.7012 -3 6 2 4 53.93 4.73 1.7003 0 8 0 2 54.32 5.03 1.6887 -4 3 3 4 54.42 12.82 1.6859 1 4 3 4 54.50 3.37 1.6837 -4 5 2 4 54.58 9.49 1.6813 2 2 3 4 54.91 2.89 1.6722 -5 3 2 4 54.96 1.70 1.6707 1 8 0 4 54.97 3.19 1.6704 0 5 3 4 55.13 3.12 1.6660 3 6 1 4 55.69 2.82 1.6506 -2 0 4 2 55.98 6.17 1.6427 -5 4 1 4 56.02 1.90 1.6415 -3 7 1 4 56.25 1.84 1.6355 -2 7 2 4 56.42 1.82 1.6308 3 7 0 4 56.54 3.73 1.6278 -4 6 1 4 56.98 1.19 1.6161 2 6 2 4 57.44 1.67 1.6044 -4 4 3 4 57.45 4.26 1.6041 5 1 1 4 57.47 1.24 1.6036 -5 1 3 4 58.14 1.75 1.5866 4 5 1 4 58.19 5.31 1.5855 4 2 2 4 58.40 2.95 1.5802 -1 6 3 4 58.75 1.66 1.5717 5 2 1 4 58.98 1.59 1.5659 -2 6 3 4 59.33 2.24 1.5576 -4 6 2 4 59.62 2.62 1.5508 -3 7 2 4 60.77 2.31 1.5242 -6 1 2 4 60.78 1.57 1.5240 3 7 1 4 60.87 4.82 1.5220 -6 2 1 4 61.20 4.40 1.5144 -4 0 4 2 61.50 2.05 1.5078 -3 6 3 4 61.51 4.38 1.5076 2 8 1 4 61.62 2.56 1.5051 -4 1 4 4 61.91 1.93 1.4988 0 8 2 4 62.52 1.43 1.4856 2 7 2 4 62.55 1.53 1.4849 -2 4 4 4 62.61 3.18 1.4836 1 1 4 4 62.87 1.01 1.4782 -4 2 4 4 62.95 3.94 1.4764 -6 3 1 4 63.25 6.64 1.4702 4 4 2 4 63.79 4.59 1.4591 5 4 1 4 63.81 1.67 1.4587 -5 4 3 4 63.85 1.04 1.4578 1 2 4 4 64.09 1.46 1.4529 -6 3 2 4 64.24 2.04 1.4499 -3 4 4 4 64.42 1.39 1.4463 -2 7 3 4 65.11 3.95 1.4326 2 9 0 4 65.18 1.88 1.4313 0 7 3 4 65.88 1.19 1.4177 1 3 4 4 66.23 1.56 1.4111 -2 5 4 4 66.33 1.13 1.4092 -5 6 2 4 66.93 1.11 1.3980 3 8 1 4 67.00 1.06 1.3967 5 1 2 4 68.20 2.66 1.3752 5 2 2 4 68.25 2.65 1.3742 -1 9 2 4 69.51 1.15 1.3523 -2 9 2 4 70.48 1.34 1.3361 -6 5 2 4 70.72 2.88 1.3321 -4 8 2 4 70.85 1.23 1.3300 0 10 1 4 71.27 1.10 1.3232 -4 5 4 4 71.61 1.02 1.3177 -2 1 5 4 71.74 1.91 1.3157 6 3 1 4 73.99 1.31 1.2812 -6 1 4 4 75.11 1.03 1.2648 -4 1 5 4 76.76 1.50 1.2416 3 2 4 4 78.13 1.08 1.2232 -4 3 5 4 78.20 1.62 1.2224 -3 4 5 4 80.59 1.45 1.1921 1 2 5 4 81.28 1.64 1.1837 1 7 4 4 81.84 1.27 1.1770 -5 9 1 4 81.94 1.13 1.1758 -4 10 1 4 84.71 1.27 1.1443 0 10 3 4 85.37 1.97 1.1371 -7 3 4 4 86.15 1.35 1.1288 -8 3 1 4 86.55 1.31 1.1246 1 12 0 4 88.30 1.64 1.1067 -5 5 5 4 88.37 1.31 1.1061 2 3 5 4 88.62 1.03 1.1036 5 9 1 4 88.87 1.22 1.1011 -8 3 3 4 89.89 2.53 1.0913 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.