Selenium Wyckoff R W G Crystal Structures 1 (1963) 7-83 Second edition. Interscience Publishers, New York, New York Sample is the beta form of the monoclinic phase _database_code_amcsd 0011260 CELL PARAMETERS: 12.8500 8.0700 9.3100 90.000 93.133 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 963.999 Density (g/cm3): 4.352 MAX. ABS. INTENSITY / VOLUME**2: 18.19763531 RIR: 1.362 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.96 13.61 6.8312 1 1 0 4 14.54 2.26 6.0941 0 1 1 4 15.87 7.57 5.5828 -1 1 1 4 16.32 6.05 5.4298 1 1 1 4 16.35 3.73 5.4204 -2 0 1 2 17.22 4.63 5.1501 2 0 1 2 17.66 3.37 5.0219 2 1 0 4 19.09 34.90 4.6480 0 0 2 2 19.73 1.55 4.4996 -2 1 1 4 20.46 9.20 4.3414 2 1 1 4 22.03 29.05 4.0350 0 2 0 2 22.07 43.06 4.0277 0 1 2 4 22.83 14.02 3.8959 -1 1 2 4 23.01 55.93 3.8657 -2 0 2 2 23.11 5.01 3.8492 1 2 0 4 23.46 64.93 3.7919 1 1 2 4 23.54 78.39 3.7790 3 1 0 4 24.04 8.38 3.7014 0 2 1 4 24.25 43.39 3.6699 2 0 2 2 24.89 24.70 3.5771 -1 2 1 4 25.00 9.70 3.5613 -3 1 1 4 25.19 35.54 3.5359 1 2 1 4 25.55 100.00 3.4863 -2 1 2 4 26.09 66.20 3.4156 2 2 0 4 26.68 1.39 3.3407 2 1 2 4 27.56 2.35 3.2367 -2 2 1 4 27.81 25.16 3.2077 4 0 0 2 28.09 2.92 3.1763 2 2 1 4 28.95 8.35 3.0847 -4 0 1 2 29.31 2.42 3.0470 0 2 2 4 29.74 3.52 3.0040 -3 1 2 4 29.90 6.93 2.9888 -1 2 2 4 29.98 11.82 2.9809 4 1 0 4 30.39 36.25 2.9410 1 2 2 4 30.46 9.33 2.9350 3 2 0 4 30.91 37.28 2.8928 0 1 3 4 31.04 84.52 2.8814 -4 1 1 4 31.22 1.36 2.8652 3 1 2 4 31.35 13.29 2.8533 -1 1 3 4 31.62 8.94 2.8294 -3 2 1 4 31.99 1.68 2.7975 4 1 1 4 32.06 6.04 2.7915 1 1 3 4 32.06 23.45 2.7914 -2 2 2 4 32.33 15.24 2.7691 3 2 1 4 32.78 56.56 2.7324 2 0 3 2 32.99 1.90 2.7149 2 2 2 4 33.32 2.16 2.6890 -2 1 3 4 34.05 11.41 2.6328 1 3 0 4 34.66 2.77 2.5881 2 1 3 4 34.72 1.89 2.5840 0 3 1 4 34.84 18.63 2.5751 4 0 2 2 34.92 2.81 2.5692 -4 1 2 4 35.33 30.58 2.5406 -1 3 1 4 35.54 3.19 2.5257 1 3 1 4 35.76 2.75 2.5109 4 2 0 4 36.21 5.42 2.4807 2 3 0 4 36.56 12.54 2.4576 0 2 3 4 36.60 7.42 2.4550 -3 1 3 4 36.63 5.70 2.4532 4 1 2 4 36.67 1.21 2.4506 -4 2 1 4 36.75 16.34 2.4455 5 1 0 4 36.83 5.42 2.4407 3 2 2 4 37.32 23.55 2.4096 -2 3 1 4 37.50 12.38 2.3984 4 2 1 4 37.54 12.76 2.3959 -5 1 1 4 37.56 6.28 2.3946 1 2 3 4 37.73 11.39 2.3843 2 3 1 4 38.45 3.36 2.3414 3 1 3 4 38.55 3.38 2.3353 5 1 1 4 38.66 10.27 2.3290 -2 2 3 4 38.67 10.97 2.3282 0 3 2 4 38.75 1.37 2.3240 0 0 4 2 39.13 13.35 2.3019 -1 3 2 4 39.31 4.34 2.2921 -4 0 3 2 39.53 3.26 2.2799 1 3 2 4 39.84 9.60 2.2625 2 2 3 4 40.08 3.06 2.2498 -4 2 2 4 40.39 1.70 2.2333 0 1 4 4 40.51 3.57 2.2267 -3 3 1 4 40.64 3.48 2.2200 -1 1 4 4 40.79 5.53 2.2122 -5 1 2 4 41.09 6.33 2.1970 3 3 1 4 41.40 2.60 2.1809 1 1 4 4 41.58 12.59 2.1719 -3 2 3 4 41.63 10.17 2.1696 2 3 2 4 42.07 2.18 2.1478 2 0 4 2 42.66 7.27 2.1192 5 1 2 4 43.25 5.73 2.0921 3 2 3 4 43.34 11.05 2.0877 5 2 1 4 43.76 2.17 2.0688 -3 3 2 4 43.79 1.86 2.0671 6 1 0 4 43.93 1.28 2.0612 4 3 0 4 44.39 9.24 2.0408 -6 1 1 4 44.70 5.34 2.0274 -4 3 1 4 44.78 14.24 2.0237 -3 1 4 4 44.83 6.63 2.0217 3 3 2 4 44.93 5.68 2.0176 -1 3 3 4 45.02 1.32 2.0139 0 2 4 4 45.25 2.90 2.0041 -1 2 4 4 45.45 1.73 1.9956 6 1 1 4 45.72 2.53 1.9843 -6 0 2 2 45.95 18.49 1.9752 1 2 4 4 46.03 10.38 1.9716 0 4 1 4 46.52 6.44 1.9521 -1 4 1 4 47.11 14.51 1.9290 5 2 2 4 47.17 13.59 1.9269 -6 1 2 4 47.43 18.91 1.9169 2 3 3 4 47.58 1.46 1.9113 4 2 3 4 47.63 13.14 1.9092 -4 3 2 4 47.98 1.89 1.8959 2 2 4 4 48.12 8.42 1.8908 -2 4 1 4 48.43 2.13 1.8797 -4 1 4 4 48.46 1.53 1.8785 2 4 1 4 48.71 14.56 1.8693 -6 2 1 4 48.95 1.92 1.8609 -3 3 3 4 48.97 1.70 1.8602 4 3 2 4 49.08 1.30 1.8562 -3 2 4 4 49.18 24.72 1.8528 6 1 2 4 49.62 4.00 1.8374 -1 4 2 4 49.69 6.66 1.8349 4 0 4 2 49.69 14.78 1.8348 -5 3 1 4 49.70 1.13 1.8344 6 2 1 4 49.98 2.20 1.8247 3 4 0 4 50.35 3.75 1.8124 -2 0 5 2 50.37 31.97 1.8118 0 1 5 4 50.50 5.77 1.8073 -1 1 5 4 50.50 5.66 1.8071 5 3 1 4 50.51 16.25 1.8068 -6 0 3 2 50.76 2.64 1.7985 -3 4 1 4 51.03 2.15 1.7896 3 2 4 4 51.07 4.99 1.7886 -2 4 2 4 51.25 4.08 1.7827 3 4 1 4 51.30 7.18 1.7809 1 1 5 4 51.55 3.24 1.7729 -7 1 1 4 51.69 4.33 1.7684 -2 1 5 4 51.86 11.35 1.7631 -6 1 3 4 51.95 5.84 1.7602 2 0 5 2 52.45 12.04 1.7447 -4 3 3 4 52.50 8.62 1.7432 -4 2 4 4 52.66 10.76 1.7382 7 1 1 4 52.67 7.12 1.7377 5 2 3 4 52.84 9.43 1.7327 1 3 4 4 53.20 5.02 1.7216 6 2 2 4 53.27 3.71 1.7198 2 1 5 4 53.37 2.48 1.7167 6 0 3 2 53.45 2.60 1.7142 -2 3 4 4 53.52 1.79 1.7121 -3 4 2 4 53.67 5.23 1.7078 4 4 0 4 53.90 1.25 1.7011 -3 1 5 4 54.25 8.69 1.6907 0 4 3 4 54.33 2.33 1.6886 0 2 5 4 54.33 3.71 1.6884 -4 4 1 4 54.45 1.01 1.6850 -1 2 5 4 54.53 16.51 1.6827 -1 4 3 4 54.66 6.25 1.6791 6 1 3 4 54.95 16.58 1.6711 4 4 1 4 54.97 7.78 1.6703 4 2 4 4 54.99 2.77 1.6698 1 4 3 4 55.22 3.83 1.6635 1 2 5 4 55.35 3.23 1.6599 -6 3 1 4 55.45 4.55 1.6570 -7 2 1 4 55.68 4.84 1.6507 -3 3 4 4 55.74 4.53 1.6490 -6 2 3 4 55.78 3.20 1.6481 -4 0 5 2 55.99 3.11 1.6425 5 1 4 4 56.51 1.63 1.6286 7 2 1 4 56.72 1.02 1.6230 2 4 3 4 56.76 1.53 1.6220 -5 2 4 4 56.78 7.85 1.6213 -5 3 3 4 56.90 9.19 1.6183 -6 0 4 2 57.03 5.99 1.6148 -4 1 5 4 57.09 1.35 1.6134 2 2 5 4 57.46 1.05 1.6038 8 0 0 2 57.55 2.34 1.6014 1 5 0 4 57.76 2.15 1.5961 -7 2 2 4 58.00 2.65 1.5902 0 5 1 4 58.08 4.76 1.5881 4 4 2 4 58.17 1.16 1.5860 5 4 0 4 58.42 2.50 1.5797 6 2 3 4 58.56 14.88 1.5763 1 5 1 4 58.69 8.38 1.5731 8 1 0 4 58.72 11.57 1.5723 -5 4 1 4 58.75 7.82 1.5717 4 0 5 2 58.83 1.95 1.5697 -4 3 4 4 58.97 5.12 1.5662 8 0 1 2 59.00 4.87 1.5657 5 3 3 4 59.03 3.31 1.5649 -8 1 1 4 59.45 5.08 1.5548 5 4 1 4 59.49 7.14 1.5539 6 3 2 4 59.69 5.19 1.5490 5 2 4 4 60.07 6.89 1.5401 2 5 1 4 60.19 3.81 1.5375 8 1 1 4 60.54 5.55 1.5295 0 3 5 4 60.65 2.18 1.5268 -1 3 5 4 60.72 2.74 1.5252 -2 0 6 2 60.75 4.35 1.5247 0 5 2 4 60.93 3.55 1.5205 -1 1 6 4 60.99 2.31 1.5193 -1 4 4 4 61.08 1.22 1.5172 -1 5 2 4 61.10 3.17 1.5168 -5 4 2 4 61.14 8.52 1.5159 4 3 4 4 61.18 1.08 1.5149 -8 1 2 4 61.19 1.38 1.5147 7 3 0 4 61.23 1.89 1.5138 7 1 3 4 61.36 2.59 1.5109 1 5 2 4 61.60 3.89 1.5056 6 1 4 4 61.76 1.28 1.5020 -6 2 4 4 61.82 4.24 1.5008 -7 2 3 4 62.08 1.61 1.4951 -3 5 1 4 62.11 9.11 1.4944 -2 4 4 4 62.58 1.81 1.4844 7 3 1 4 62.81 3.60 1.4795 -5 3 4 4 62.91 1.76 1.4774 2 5 2 4 63.24 2.43 1.4705 2 4 4 4 63.38 1.65 1.4675 6 4 0 4 63.43 2.47 1.4664 8 1 2 4 64.46 3.20 1.4455 -1 2 6 4 64.52 2.89 1.4443 5 1 5 4 64.70 3.34 1.4407 -8 2 2 4 64.75 1.21 1.4397 7 2 3 4 65.17 1.92 1.4315 0 5 3 4 65.29 1.13 1.4292 1 2 6 4 65.69 2.67 1.4214 7 3 2 4 66.86 1.87 1.3993 -9 1 1 4 67.27 1.97 1.3919 -3 2 6 4 67.55 2.79 1.3867 -4 5 2 4 67.55 1.34 1.3867 -6 3 4 4 67.95 1.33 1.3795 5 2 5 4 68.06 3.08 1.3776 8 3 0 4 68.37 1.54 1.3721 -8 3 1 4 68.45 1.22 1.3706 -8 2 3 4 68.63 1.66 1.3676 4 5 2 4 69.21 1.71 1.3575 4 4 4 4 69.97 7.86 1.3445 -4 2 6 4 70.13 2.54 1.3419 -1 3 6 4 70.20 4.06 1.3407 -5 1 6 4 70.23 1.44 1.3402 -9 2 1 4 70.38 1.76 1.3377 1 6 0 4 70.92 1.47 1.3288 1 3 6 4 71.28 1.20 1.3230 1 6 1 4 71.80 1.46 1.3148 -2 0 7 2 72.07 1.18 1.3104 0 1 7 4 72.39 1.01 1.3054 -2 6 1 4 72.89 2.61 1.2977 -2 1 7 4 72.97 2.38 1.2966 1 1 7 4 73.40 1.71 1.2899 5 4 4 4 73.49 1.04 1.2886 -6 0 6 2 73.50 3.33 1.2885 -5 2 6 4 73.51 2.25 1.2884 7 4 2 4 73.63 1.34 1.2866 2 0 7 2 73.76 3.05 1.2846 -8 2 4 4 73.83 1.21 1.2836 1 6 2 4 74.58 2.75 1.2724 -6 1 6 4 74.72 3.17 1.2704 6 5 1 4 74.73 1.09 1.2703 -2 6 2 4 75.17 1.33 1.2640 3 3 6 4 75.28 1.32 1.2624 -6 4 4 4 75.47 1.43 1.2597 9 3 0 4 75.76 1.10 1.2555 7 1 5 4 75.78 1.98 1.2552 3 5 4 4 75.89 2.33 1.2537 9 1 3 4 76.25 2.93 1.2486 -8 0 5 2 76.62 2.29 1.2436 7 3 4 4 76.91 2.14 1.2396 -10 1 2 4 76.97 2.67 1.2389 -4 5 4 4 77.30 1.47 1.2344 3 1 7 4 77.34 2.96 1.2338 0 6 3 4 77.52 1.48 1.2314 -9 1 4 4 77.96 2.15 1.2256 1 6 3 4 78.13 1.54 1.2233 6 0 6 2 78.36 2.85 1.2203 6 4 4 4 78.47 1.27 1.2188 0 5 5 4 78.52 2.26 1.2182 1 4 6 4 78.53 1.30 1.2181 4 3 6 4 79.05 2.46 1.2113 7 5 0 4 79.11 1.58 1.2106 9 2 3 4 79.23 2.45 1.2091 -10 0 3 2 79.41 1.63 1.2068 -7 5 1 4 79.46 2.29 1.2061 10 1 2 4 79.61 5.94 1.2042 10 2 1 4 79.65 1.82 1.2037 -6 5 3 4 80.11 1.93 1.1980 -10 2 2 4 80.16 7.23 1.1973 2 4 6 4 80.49 2.09 1.1932 3 2 7 4 80.51 3.43 1.1931 -5 5 4 4 80.52 1.40 1.1928 -7 4 4 4 80.52 2.93 1.1928 -8 2 5 4 80.58 1.34 1.1922 4 6 2 4 81.30 1.67 1.1834 -3 5 5 4 81.35 1.81 1.1829 8 0 5 2 81.48 3.40 1.1812 -2 3 7 4 82.40 2.18 1.1704 8 1 5 4 82.94 2.52 1.1641 0 6 4 4 83.30 5.21 1.1600 -4 6 3 4 83.47 1.37 1.1581 10 3 0 4 83.86 1.41 1.1537 4 2 7 4 84.05 4.98 1.1515 7 4 4 4 84.07 1.09 1.1513 10 1 3 4 84.09 1.18 1.1511 -1 1 8 4 84.18 1.41 1.1501 0 1 8 4 84.49 1.79 1.1466 8 4 3 4 84.84 2.40 1.1429 -2 1 8 4 84.89 3.71 1.1423 -7 5 3 4 84.97 2.66 1.1415 -9 4 2 4 85.20 1.02 1.1389 1 7 1 4 85.23 1.46 1.1387 -10 1 4 4 85.24 10.41 1.1385 6 6 0 4 85.27 2.73 1.1381 11 1 1 4 85.38 2.50 1.1370 -10 3 2 4 85.56 1.48 1.1351 8 2 5 4 85.60 2.81 1.1347 2 7 0 4 85.60 1.23 1.1346 -4 3 7 4 85.98 1.54 1.1306 -9 3 4 4 86.27 1.50 1.1275 -5 4 6 4 86.51 3.00 1.1250 2 7 1 4 86.84 4.87 1.1216 2 1 8 4 87.04 2.53 1.1195 -11 2 1 4 87.10 4.55 1.1190 0 7 2 4 87.22 1.46 1.1177 0 5 6 4 87.22 1.68 1.1177 10 2 3 4 87.24 1.44 1.1175 -1 2 8 4 87.32 1.37 1.1166 0 2 8 4 87.33 1.27 1.1166 -5 5 5 4 87.48 1.43 1.1151 -8 5 2 4 87.77 1.70 1.1121 -6 2 7 4 88.05 1.15 1.1093 0 4 7 4 88.14 2.03 1.1084 -7 3 6 4 88.42 1.46 1.1056 11 2 1 4 88.64 1.52 1.1034 3 7 1 4 88.72 3.60 1.1026 -11 2 2 4 88.74 1.09 1.1025 -8 2 6 4 88.83 7.49 1.1015 6 0 7 2 88.90 2.15 1.1008 1 4 7 4 89.10 1.99 1.0989 4 3 7 4 89.14 1.04 1.0985 6 6 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.