Selenium Wyckoff R W G Crystal Structures 1 (1963) 7-83 Second edition. Interscience Publishers, New York, New York Sample is the alpha form of the monoclinic phase _database_code_amcsd 0011259 CELL PARAMETERS: 9.0500 9.0700 11.6100 90.000 90.767 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 952.904 Density (g/cm3): 4.402 MAX. ABS. INTENSITY / VOLUME**2: 23.13240966 RIR: 1.711 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.38 3.07 7.1472 0 1 1 4 12.48 5.02 7.0912 1 0 1 2 13.82 6.01 6.4061 1 1 0 4 15.74 8.77 5.6314 -1 1 1 4 15.86 4.31 5.5864 1 1 1 4 19.57 3.82 4.5350 0 2 0 2 20.75 16.16 4.2813 1 1 2 4 21.03 41.39 4.2241 0 2 1 4 21.92 5.16 4.0544 1 2 0 4 21.95 33.41 4.0488 2 1 0 4 23.18 16.93 3.8373 -2 1 1 4 23.19 75.99 3.8348 -1 2 1 4 23.36 15.00 3.8088 2 1 1 4 24.79 28.81 3.5919 -2 0 2 2 24.90 35.02 3.5753 -1 0 3 2 24.92 70.20 3.5736 0 2 2 4 25.02 20.04 3.5593 0 1 3 4 25.12 25.71 3.5456 2 0 2 2 25.15 6.38 3.5409 1 0 3 2 26.69 1.57 3.3396 -2 1 2 4 26.75 5.39 3.3332 -1 2 2 4 26.90 14.16 3.3145 1 2 2 4 27.03 40.55 3.2984 1 1 3 4 28.84 47.80 3.0952 -2 2 1 4 28.99 100.00 3.0802 2 2 1 4 30.36 2.45 2.9437 0 2 3 4 30.56 16.50 2.9257 0 3 1 4 30.81 4.44 2.9022 0 0 4 2 31.19 7.08 2.8675 1 3 0 4 31.25 6.89 2.8623 3 1 0 4 31.78 12.67 2.8157 -2 2 2 4 31.80 50.24 2.8143 -2 1 3 4 32.04 6.81 2.7932 2 2 2 4 32.11 16.36 2.7873 -3 1 1 4 32.12 5.18 2.7866 -1 3 1 4 32.19 27.03 2.7809 2 1 3 4 32.31 4.06 2.7709 3 1 1 4 32.39 48.90 2.7642 0 1 4 4 33.42 14.13 2.6814 0 3 2 4 34.77 1.31 2.5802 -3 1 2 4 34.96 2.25 2.5666 1 3 2 4 35.13 1.79 2.5543 3 1 2 4 35.72 7.11 2.5138 2 3 0 4 36.52 4.09 2.4606 -2 3 1 4 36.52 16.52 2.4604 -3 2 1 4 36.56 2.86 2.4579 -2 0 4 2 36.63 12.09 2.4531 2 3 1 4 36.77 7.37 2.4445 0 2 4 4 37.56 1.33 2.3946 -3 0 3 2 38.07 16.18 2.3637 3 0 3 2 38.25 13.48 2.3533 1 2 4 4 38.38 2.71 2.3456 2 1 4 4 38.90 3.37 2.3153 -3 1 3 4 38.91 9.24 2.3145 -3 2 2 4 39.16 4.63 2.3005 2 3 2 4 39.24 2.66 2.2957 3 2 2 4 39.39 3.71 2.2873 3 1 3 4 39.85 25.41 2.2623 4 0 0 2 39.96 6.54 2.2562 -1 0 5 2 41.04 1.87 2.1995 1 4 0 4 41.12 1.20 2.1950 4 1 0 4 41.23 3.76 2.1895 -1 1 5 4 41.77 7.09 2.1623 -1 4 1 4 41.78 2.80 2.1620 -4 1 1 4 41.80 2.89 2.1609 -2 2 4 4 42.22 6.30 2.1406 2 2 4 4 42.70 8.86 2.1175 -3 2 3 4 42.82 22.22 2.1121 0 4 2 4 43.21 3.16 2.0937 0 3 4 4 43.80 12.09 2.0667 0 2 5 4 43.98 1.63 2.0590 -1 4 2 4 44.08 4.39 2.0546 1 4 2 4 44.16 10.08 2.0510 -3 1 4 4 44.31 1.19 2.0444 4 1 2 4 44.51 2.22 2.0355 1 3 4 4 44.75 8.52 2.0251 3 1 4 4 44.77 1.04 2.0244 4 2 0 4 44.87 2.91 2.0200 -1 2 5 4 45.10 3.54 2.0102 -3 3 2 4 45.12 1.49 2.0096 1 2 5 4 45.25 1.24 2.0038 2 1 5 4 45.37 11.00 1.9990 -2 4 1 4 45.38 2.45 1.9983 -4 2 1 4 45.39 26.38 1.9979 3 3 2 4 45.47 7.24 1.9949 2 4 1 4 45.58 3.96 1.9903 4 2 1 4 47.38 2.87 1.9186 -4 2 2 4 47.48 1.20 1.9149 -1 4 3 4 47.60 4.30 1.9103 2 4 2 4 47.62 22.77 1.9097 -3 2 4 4 47.62 1.95 1.9095 1 4 3 4 47.69 2.50 1.9072 -2 3 4 4 47.76 1.31 1.9044 4 2 2 4 47.91 3.78 1.8987 4 1 3 4 48.06 3.48 1.8932 2 3 4 4 48.08 7.36 1.8923 0 1 6 4 48.18 1.85 1.8888 3 2 4 4 48.91 1.60 1.8621 3 3 3 4 49.20 1.30 1.8519 -3 0 5 2 49.50 8.18 1.8414 0 3 5 4 49.89 5.42 1.8281 3 0 5 2 50.34 1.19 1.8125 3 4 0 4 50.47 6.75 1.8082 -1 3 5 4 50.94 1.57 1.7926 -4 3 1 4 50.96 6.94 1.7920 3 1 5 4 50.96 1.12 1.7919 -5 0 1 2 50.98 2.64 1.7913 2 4 3 4 51.06 17.44 1.7886 3 4 1 4 51.09 3.76 1.7877 -2 0 6 2 51.12 4.64 1.7868 0 4 4 4 51.17 3.57 1.7850 4 2 3 4 51.34 10.85 1.7796 0 2 6 4 51.49 7.67 1.7748 5 1 0 4 51.63 6.93 1.7704 2 0 6 2 51.90 4.40 1.7617 -4 1 4 4 52.04 15.11 1.7574 1 5 1 4 52.15 8.61 1.7539 -2 1 6 4 52.24 1.70 1.7510 5 1 1 4 52.27 6.17 1.7503 -1 2 6 4 52.60 3.15 1.7399 4 1 4 4 52.67 4.41 1.7377 2 1 6 4 52.78 11.82 1.7344 -4 3 2 4 52.79 15.97 1.7341 -3 4 2 4 53.00 1.53 1.7278 -3 3 4 4 53.52 3.34 1.7122 3 3 4 4 53.53 19.81 1.7120 -2 3 5 4 53.87 1.07 1.7018 -1 5 2 4 53.96 2.19 1.6993 1 5 2 4 53.96 18.09 1.6993 2 3 5 4 54.09 1.25 1.6955 3 2 5 4 54.24 5.46 1.6911 5 1 2 4 55.08 11.58 1.6675 -2 5 1 4 55.11 1.42 1.6666 -2 4 4 4 55.11 13.97 1.6665 -5 2 1 4 55.16 2.91 1.6651 2 5 1 4 55.23 1.18 1.6631 -2 2 6 4 55.32 2.80 1.6606 5 2 1 4 55.74 1.71 1.6492 2 2 6 4 55.79 15.26 1.6479 -5 0 3 2 55.81 1.33 1.6473 -4 3 3 4 55.99 1.09 1.6425 0 5 3 4 56.22 1.59 1.6363 3 4 3 4 56.26 1.25 1.6351 -1 0 7 2 56.40 2.80 1.6314 0 1 7 4 56.55 5.63 1.6274 1 0 7 2 56.78 3.68 1.6213 -5 1 3 4 57.03 4.20 1.6149 2 5 2 4 57.12 7.33 1.6125 -3 1 6 4 57.25 3.44 1.6092 5 2 2 4 57.25 2.18 1.6092 -1 1 7 4 57.40 16.58 1.6053 5 1 3 4 57.63 7.08 1.5994 -1 4 5 4 57.84 5.46 1.5942 1 4 5 4 59.05 2.56 1.5643 3 3 5 4 59.33 1.23 1.5575 0 2 7 4 59.46 1.57 1.5545 3 5 0 4 59.53 1.01 1.5529 5 3 0 4 59.95 1.42 1.5429 -3 4 4 4 59.98 1.30 1.5422 -3 5 1 4 60.03 1.33 1.5412 -2 1 7 4 60.03 3.82 1.5411 2 5 3 4 60.03 1.79 1.5411 -3 2 6 4 60.07 4.84 1.5401 4 4 2 4 60.13 2.18 1.5388 -2 3 6 4 60.15 1.28 1.5382 0 5 4 4 60.44 3.74 1.5316 -2 4 5 4 60.54 2.29 1.5293 4 3 4 4 60.59 3.91 1.5283 2 1 7 4 60.61 1.13 1.5278 2 3 6 4 60.75 4.64 1.5246 3 2 6 4 61.19 7.22 1.5147 1 5 4 4 61.32 3.25 1.5117 0 6 0 2 61.61 5.75 1.5054 5 1 4 4 61.65 8.87 1.5044 -5 3 2 4 61.66 3.24 1.5042 -3 5 2 4 61.90 1.06 1.4990 3 5 2 4 62.05 2.82 1.4958 5 3 2 4 62.27 7.17 1.4910 1 6 0 4 62.42 2.30 1.4878 6 1 0 4 62.86 1.38 1.4785 -2 2 7 4 63.10 1.50 1.4732 6 1 1 4 63.17 1.16 1.4718 0 4 6 4 63.40 1.70 1.4671 2 2 7 4 63.53 1.42 1.4645 -6 0 2 2 64.44 2.28 1.4460 -3 5 3 4 64.45 1.52 1.4458 -6 1 2 4 64.48 2.06 1.4451 3 0 7 2 64.59 1.56 1.4429 -3 1 7 4 66.05 1.73 1.4145 5 4 0 4 66.44 2.04 1.4072 -4 2 6 4 67.24 4.89 1.3923 -1 6 3 4 67.52 1.81 1.3872 -2 0 8 2 67.81 2.71 1.3821 0 2 8 4 68.51 1.29 1.3697 -5 2 5 4 68.85 1.24 1.3637 1 2 8 4 69.07 1.39 1.3598 2 5 5 4 69.56 1.51 1.3515 3 6 0 4 70.20 3.63 1.3407 0 6 4 4 71.08 1.18 1.3263 -1 4 7 4 71.26 2.69 1.3233 0 5 6 4 71.34 1.12 1.3221 1 4 7 4 71.65 1.48 1.3171 2 2 8 4 73.84 1.86 1.2833 2 6 4 4 73.89 1.09 1.2826 1 7 0 4 74.11 1.45 1.2794 -1 0 9 2 74.27 1.17 1.2770 0 1 9 4 74.28 1.06 1.2768 -5 4 4 4 74.32 2.44 1.2763 -4 5 4 4 74.43 1.40 1.2746 1 7 1 4 74.48 1.78 1.2739 -7 1 1 4 74.60 1.68 1.2722 5 5 1 4 74.90 1.04 1.2679 4 5 4 4 75.00 1.14 1.2663 5 4 4 4 75.39 1.15 1.2608 -2 3 8 4 76.12 2.02 1.2505 3 2 8 4 77.03 1.02 1.2381 2 7 1 4 77.04 2.33 1.2378 -7 2 1 4 77.55 2.27 1.2309 -5 0 7 2 77.88 1.70 1.2265 4 6 2 4 78.03 1.09 1.2246 6 4 2 4 78.08 4.89 1.2240 0 5 7 4 78.29 2.35 1.2212 7 0 3 2 78.40 4.07 1.2198 -5 1 7 4 78.47 1.88 1.2189 -7 2 2 4 78.52 6.56 1.2182 -1 7 3 4 78.69 1.51 1.2160 -3 5 6 4 78.79 2.07 1.2146 5 0 7 2 78.87 4.89 1.2136 -5 4 5 4 79.20 1.22 1.2095 1 4 8 4 79.51 6.67 1.2055 -3 3 8 4 79.60 2.97 1.2043 5 3 6 4 79.68 1.06 1.2033 4 1 8 4 79.91 1.14 1.2005 -2 2 9 4 80.10 1.02 1.1980 -4 6 3 4 80.53 1.50 1.1928 4 6 3 4 80.71 1.98 1.1905 3 7 0 4 80.91 2.79 1.1881 -7 2 3 4 81.00 1.38 1.1870 -2 7 3 4 81.05 1.09 1.1864 0 3 9 4 81.45 1.04 1.1816 -3 1 9 4 81.56 1.63 1.1803 3 0 9 2 81.70 1.36 1.1786 2 5 7 4 81.86 1.21 1.1768 -7 1 4 4 81.87 1.19 1.1766 2 4 8 4 82.05 1.18 1.1745 1 3 9 4 82.09 1.19 1.1740 -1 7 4 4 82.15 1.10 1.1733 5 2 7 4 82.20 1.50 1.1728 4 2 8 4 82.34 1.38 1.1711 -3 6 5 4 82.60 4.37 1.1680 5 5 4 4 82.67 1.17 1.1673 -7 3 2 4 82.84 1.61 1.1653 7 1 4 4 83.15 2.55 1.1617 7 3 2 4 83.22 2.09 1.1609 0 0 10 2 83.33 1.04 1.1597 6 5 0 4 83.61 2.36 1.1565 -4 6 4 4 84.06 1.50 1.1515 0 1 10 4 84.22 1.01 1.1496 2 6 6 4 84.38 1.13 1.1479 6 4 4 4 84.72 1.10 1.1442 2 3 9 4 84.90 3.30 1.1422 3 2 9 4 85.15 1.65 1.1395 -6 5 2 4 85.31 2.06 1.1377 4 5 6 4 85.45 3.78 1.1362 3 7 3 4 86.31 1.27 1.1271 -7 1 5 4 86.57 3.53 1.1244 4 7 0 4 86.91 1.50 1.1209 2 0 10 2 87.12 1.81 1.1187 -8 1 1 4 87.21 1.41 1.1178 -1 2 10 4 87.52 1.77 1.1146 7 1 5 4 87.59 4.31 1.1140 -5 6 3 4 87.71 1.55 1.1127 0 8 2 4 88.00 1.18 1.1098 -6 4 5 4 88.48 2.65 1.1050 -7 4 2 4 89.06 1.47 1.0993 8 1 2 4 89.35 1.35 1.0965 2 5 8 4 89.48 2.02 1.0952 7 3 4 4 89.84 2.13 1.0917 5 2 8 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.