Selenium Marsh R E, Pauling L, McCullough J D Acta Crystallographica 6 (1953) 71-75 The crystal structure of beta-selenium Locality: synthetic Note: structure known as beta phase Note: cell parameters taken from Acta Crystallographica 5 (1952) 236-246 _database_code_amcsd 0009152 CELL PARAMETERS: 12.8500 8.0700 9.3100 90.000 93.130 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 964.002 Density (g/cm3): 4.352 MAX. ABS. INTENSITY / VOLUME**2: 17.17821427 RIR: 1.285 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.96 14.21 6.8312 1 1 0 4 14.54 2.35 6.0941 0 1 1 4 15.87 7.84 5.5827 -1 1 1 4 16.32 6.26 5.4299 1 1 1 4 16.35 3.86 5.4203 -2 0 1 2 17.22 4.77 5.1503 2 0 1 2 17.66 3.47 5.0219 2 1 0 4 19.09 35.80 4.6481 0 0 2 2 19.73 1.59 4.4995 -2 1 1 4 20.46 9.40 4.3415 2 1 1 4 22.03 29.48 4.0350 0 2 0 2 22.07 43.69 4.0277 0 1 2 4 22.83 14.18 3.8959 -1 1 2 4 23.01 56.53 3.8656 -2 0 2 2 23.11 5.06 3.8492 1 2 0 4 23.46 65.52 3.7919 1 1 2 4 23.54 79.07 3.7790 3 1 0 4 24.04 8.44 3.7014 0 2 1 4 24.25 43.64 3.6700 2 0 2 2 24.89 24.78 3.5771 -1 2 1 4 25.00 9.73 3.5613 -3 1 1 4 25.19 35.60 3.5359 1 2 1 4 25.55 100.00 3.4863 -2 1 2 4 26.09 66.04 3.4156 2 2 0 4 26.68 1.39 3.3407 2 1 2 4 27.56 2.33 3.2366 -2 2 1 4 27.81 24.90 3.2077 4 0 0 2 28.09 2.89 3.1763 2 2 1 4 28.95 8.21 3.0846 -4 0 1 2 29.31 2.38 3.0470 0 2 2 4 29.74 3.45 3.0040 -3 1 2 4 29.90 6.79 2.9887 -1 2 2 4 29.98 11.57 2.9809 4 1 0 4 30.39 35.42 2.9410 1 2 2 4 30.46 9.11 2.9350 3 2 0 4 30.91 36.32 2.8928 0 1 3 4 31.04 82.29 2.8813 -4 1 1 4 31.22 1.32 2.8653 3 1 2 4 31.35 12.92 2.8533 -1 1 3 4 31.62 8.68 2.8294 -3 2 1 4 31.99 1.63 2.7975 4 1 1 4 32.06 5.85 2.7916 1 1 3 4 32.06 22.71 2.7914 -2 2 2 4 32.33 14.74 2.7692 3 2 1 4 32.78 54.56 2.7324 2 0 3 2 32.99 1.83 2.7150 2 2 2 4 33.32 2.07 2.6889 -2 1 3 4 34.05 10.93 2.6328 1 3 0 4 34.66 2.64 2.5881 2 1 3 4 34.72 1.81 2.5840 0 3 1 4 34.84 17.76 2.5751 4 0 2 2 34.92 2.68 2.5691 -4 1 2 4 35.33 29.06 2.5406 -1 3 1 4 35.54 3.03 2.5257 1 3 1 4 35.76 2.61 2.5109 4 2 0 4 36.21 5.13 2.4807 2 3 0 4 36.56 11.83 2.4576 0 2 3 4 36.60 7.00 2.4549 -3 1 3 4 36.63 5.37 2.4533 4 1 2 4 36.67 1.14 2.4506 -4 2 1 4 36.75 15.40 2.4455 5 1 0 4 36.83 5.10 2.4407 3 2 2 4 37.32 22.11 2.4096 -2 3 1 4 37.50 11.62 2.3984 4 2 1 4 37.54 11.96 2.3959 -5 1 1 4 37.56 5.89 2.3947 1 2 3 4 37.73 10.67 2.3844 2 3 1 4 38.45 3.13 2.3414 3 1 3 4 38.55 3.15 2.3353 5 1 1 4 38.66 9.56 2.3289 -2 2 3 4 38.67 10.21 2.3282 0 3 2 4 38.75 1.27 2.3240 0 0 4 2 39.13 12.39 2.3019 -1 3 2 4 39.31 4.02 2.2921 -4 0 3 2 39.53 3.02 2.2799 1 3 2 4 39.84 8.87 2.2625 2 2 3 4 40.08 2.82 2.2498 -4 2 2 4 40.39 1.56 2.2333 0 1 4 4 40.51 3.28 2.2267 -3 3 1 4 40.64 3.20 2.2200 -1 1 4 4 40.79 5.08 2.2122 -5 1 2 4 41.08 5.80 2.1970 3 3 1 4 41.40 2.38 2.1809 1 1 4 4 41.58 11.50 2.1719 -3 2 3 4 41.63 9.28 2.1696 2 3 2 4 42.07 1.99 2.1478 2 0 4 2 42.66 6.59 2.1193 5 1 2 4 43.25 5.17 2.0921 3 2 3 4 43.34 9.97 2.0878 5 2 1 4 43.76 1.95 2.0688 -3 3 2 4 43.79 1.67 2.0671 6 1 0 4 43.93 1.15 2.0612 4 3 0 4 44.39 8.27 2.0408 -6 1 1 4 44.70 4.77 2.0274 -4 3 1 4 44.78 12.72 2.0237 -3 1 4 4 44.83 5.92 2.0218 3 3 2 4 44.93 5.06 2.0176 -1 3 3 4 45.01 1.18 2.0139 0 2 4 4 45.25 2.58 2.0041 -1 2 4 4 45.45 1.54 1.9956 6 1 1 4 45.72 2.24 1.9843 -6 0 2 2 45.94 16.37 1.9753 1 2 4 4 46.03 9.19 1.9716 0 4 1 4 46.52 5.68 1.9521 -1 4 1 4 47.11 12.73 1.9291 5 2 2 4 47.17 11.92 1.9269 -6 1 2 4 47.43 16.56 1.9169 2 3 3 4 47.58 1.27 1.9113 4 2 3 4 47.63 11.49 1.9092 -4 3 2 4 47.98 1.65 1.8960 2 2 4 4 48.12 7.34 1.8908 -2 4 1 4 48.43 1.85 1.8796 -4 1 4 4 48.46 1.33 1.8785 2 4 1 4 48.71 12.62 1.8693 -6 2 1 4 48.95 1.66 1.8609 -3 3 3 4 48.97 1.47 1.8602 4 3 2 4 49.08 1.13 1.8562 -3 2 4 4 49.17 21.36 1.8528 6 1 2 4 49.62 3.44 1.8374 -1 4 2 4 49.68 5.74 1.8350 4 0 4 2 49.69 12.71 1.8348 -5 3 1 4 49.98 1.89 1.8247 3 4 0 4 50.35 3.21 1.8124 -2 0 5 2 50.37 27.36 1.8118 0 1 5 4 50.50 4.94 1.8073 -1 1 5 4 50.50 4.84 1.8072 5 3 1 4 50.51 13.89 1.8068 -6 0 3 2 50.76 2.25 1.7984 -3 4 1 4 51.03 1.83 1.7896 3 2 4 4 51.07 4.25 1.7886 -2 4 2 4 51.25 3.47 1.7827 3 4 1 4 51.30 6.10 1.7809 1 1 5 4 51.55 2.74 1.7729 -7 1 1 4 51.69 3.67 1.7683 -2 1 5 4 51.86 9.60 1.7631 -6 1 3 4 51.95 4.94 1.7602 2 0 5 2 52.45 10.13 1.7446 -4 3 3 4 52.50 7.26 1.7431 -4 2 4 4 52.66 9.04 1.7382 7 1 1 4 52.67 5.98 1.7377 5 2 3 4 52.84 7.91 1.7327 1 3 4 4 53.20 4.20 1.7217 6 2 2 4 53.26 3.10 1.7198 2 1 5 4 53.37 2.07 1.7168 6 0 3 2 53.45 2.17 1.7142 -2 3 4 4 53.52 1.49 1.7121 -3 4 2 4 53.67 4.36 1.7078 4 4 0 4 53.90 1.04 1.7011 -3 1 5 4 54.25 7.21 1.6907 0 4 3 4 54.33 1.93 1.6886 0 2 5 4 54.33 3.08 1.6884 -4 4 1 4 54.53 13.66 1.6827 -1 4 3 4 54.66 5.16 1.6792 6 1 3 4 54.95 13.67 1.6711 4 4 1 4 54.97 6.41 1.6704 4 2 4 4 54.99 2.28 1.6698 1 4 3 4 55.22 3.15 1.6635 1 2 5 4 55.35 2.66 1.6599 -6 3 1 4 55.45 3.73 1.6570 -7 2 1 4 55.68 3.96 1.6506 -3 3 4 4 55.75 3.71 1.6490 -6 2 3 4 55.78 2.62 1.6481 -4 0 5 2 55.98 2.54 1.6425 5 1 4 4 56.51 1.33 1.6286 7 2 1 4 56.76 1.24 1.6220 -5 2 4 4 56.79 6.37 1.6212 -5 3 3 4 56.90 7.45 1.6183 -6 0 4 2 57.03 4.85 1.6147 -4 1 5 4 57.09 1.09 1.6134 2 2 5 4 57.55 1.88 1.6014 1 5 0 4 57.76 1.73 1.5961 -7 2 2 4 58.00 2.13 1.5902 0 5 1 4 58.08 3.82 1.5881 4 4 2 4 58.42 2.00 1.5797 6 2 3 4 58.56 11.89 1.5763 1 5 1 4 58.69 6.69 1.5731 8 1 0 4 58.72 9.23 1.5723 -5 4 1 4 58.74 6.24 1.5718 4 0 5 2 58.83 1.55 1.5696 -4 3 4 4 58.97 4.07 1.5662 8 0 1 2 58.99 3.88 1.5657 5 3 3 4 59.03 2.63 1.5649 -8 1 1 4 59.45 4.03 1.5548 5 4 1 4 59.49 5.66 1.5539 6 3 2 4 59.69 4.11 1.5491 5 2 4 4 60.07 5.43 1.5401 2 5 1 4 60.18 3.00 1.5375 8 1 1 4 60.54 4.36 1.5295 0 3 5 4 60.65 1.71 1.5268 -1 3 5 4 60.72 2.15 1.5252 -2 0 6 2 60.75 3.41 1.5247 0 5 2 4 60.93 2.78 1.5205 -1 1 6 4 60.99 1.81 1.5193 -1 4 4 4 61.10 2.48 1.5168 -5 4 2 4 61.14 6.66 1.5159 4 3 4 4 61.19 1.08 1.5147 7 3 0 4 61.23 1.47 1.5138 7 1 3 4 61.36 2.02 1.5109 1 5 2 4 61.60 3.03 1.5056 6 1 4 4 61.82 3.29 1.5008 -7 2 3 4 62.08 1.25 1.4951 -3 5 1 4 62.11 7.05 1.4944 -2 4 4 4 62.58 1.40 1.4844 7 3 1 4 62.81 2.77 1.4794 -5 3 4 4 62.91 1.35 1.4774 2 5 2 4 63.24 1.87 1.4705 2 4 4 4 63.38 1.26 1.4675 6 4 0 4 63.43 1.89 1.4664 8 1 2 4 64.46 2.42 1.4455 -1 2 6 4 64.52 2.19 1.4443 5 1 5 4 64.70 2.53 1.4407 -8 2 2 4 65.17 1.44 1.4315 0 5 3 4 65.69 2.00 1.4214 7 3 2 4 66.86 1.39 1.3993 -9 1 1 4 67.27 1.45 1.3919 -3 2 6 4 67.55 2.06 1.3867 -4 5 2 4 68.06 2.26 1.3776 8 3 0 4 68.37 1.12 1.3721 -8 3 1 4 68.63 1.21 1.3676 4 5 2 4 69.21 1.24 1.3575 4 4 4 4 69.98 5.65 1.3445 -4 2 6 4 70.13 1.82 1.3419 -1 3 6 4 70.20 2.91 1.3407 -5 1 6 4 70.23 1.03 1.3402 -9 2 1 4 70.38 1.26 1.3377 1 6 0 4 70.92 1.05 1.3288 1 3 6 4 71.80 1.03 1.3148 -2 0 7 2 72.89 1.82 1.2977 -2 1 7 4 72.97 1.66 1.2966 1 1 7 4 73.40 1.19 1.2899 5 4 4 4 73.50 2.32 1.2884 -5 2 6 4 73.50 1.56 1.2884 7 4 2 4 73.76 2.11 1.2846 -8 2 4 4 74.58 1.89 1.2724 -6 1 6 4 74.72 2.18 1.2704 6 5 1 4 75.78 1.35 1.2552 3 5 4 4 75.89 1.58 1.2537 9 1 3 4 76.26 1.98 1.2486 -8 0 5 2 76.62 1.54 1.2436 7 3 4 4 76.91 1.44 1.2396 -10 1 2 4 76.97 1.79 1.2389 -4 5 4 4 77.34 1.98 1.2338 0 6 3 4 77.96 1.43 1.2256 1 6 3 4 78.13 1.02 1.2233 6 0 6 2 78.35 1.89 1.2204 6 4 4 4 78.52 1.49 1.2182 1 4 6 4 79.05 1.61 1.2113 7 5 0 4 79.11 1.04 1.2106 9 2 3 4 79.23 1.61 1.2090 -10 0 3 2 79.41 1.07 1.2068 -7 5 1 4 79.46 1.50 1.2062 10 1 2 4 79.61 3.89 1.2042 10 2 1 4 79.65 1.19 1.2037 -6 5 3 4 80.11 1.26 1.1980 -10 2 2 4 80.16 4.70 1.1973 2 4 6 4 80.49 1.35 1.1932 3 2 7 4 80.51 2.22 1.1930 -5 5 4 4 80.53 1.90 1.1928 -8 2 5 4 81.30 1.08 1.1834 -3 5 5 4 81.34 1.16 1.1829 8 0 5 2 81.48 2.18 1.1812 -2 3 7 4 82.40 1.38 1.1704 8 1 5 4 82.94 1.59 1.1641 0 6 4 4 83.30 3.28 1.1600 -4 6 3 4 84.05 3.11 1.1516 7 4 4 4 84.49 1.11 1.1467 8 4 3 4 84.84 1.48 1.1429 -2 1 8 4 84.89 2.30 1.1423 -7 5 3 4 84.97 1.65 1.1415 -9 4 2 4 85.24 6.43 1.1385 6 6 0 4 85.27 1.69 1.1381 11 1 1 4 85.38 1.54 1.1370 -10 3 2 4 85.60 1.73 1.1347 2 7 0 4 86.51 1.83 1.1250 2 7 1 4 86.84 2.96 1.1216 2 1 8 4 87.04 1.53 1.1195 -11 2 1 4 87.10 2.75 1.1190 0 7 2 4 87.22 1.02 1.1177 10 2 3 4 87.78 1.03 1.1120 -6 2 7 4 88.14 1.22 1.1084 -7 3 6 4 88.72 2.14 1.1026 -11 2 2 4 88.83 4.45 1.1015 6 0 7 2 88.90 1.28 1.1008 1 4 7 4 89.10 1.18 1.0989 4 3 7 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.