Selenium Cherin P, Unger P Acta Crystallographica B28 (1972) 313-317 Refinement of the crystal structure of alpha-monoclinic Se Locality: synthetic Sample: at T = 26 C Note: structure known as alpha phase _database_code_amcsd 0009424 CELL PARAMETERS: 9.0540 9.0830 11.6010 90.000 90.810 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 953.942 Density (g/cm3): 4.398 MAX. ABS. INTENSITY / VOLUME**2: 20.05841156 RIR: 1.485 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.38 2.89 7.1515 0 1 1 4 12.49 5.74 7.0884 1 0 1 2 13.81 6.08 6.4121 1 1 0 4 15.72 10.12 5.6357 -1 1 1 4 15.86 2.90 5.5881 1 1 1 4 19.55 5.07 4.5415 0 2 0 2 20.75 19.51 4.2801 1 1 2 4 21.01 43.00 4.2289 0 2 1 4 21.90 5.06 4.0594 1 2 0 4 21.94 36.36 4.0513 2 1 0 4 23.16 16.42 3.8399 -2 1 1 4 23.17 79.99 3.8391 -1 2 1 4 23.35 16.53 3.8098 2 1 1 4 24.78 26.33 3.5931 -2 0 2 2 24.90 75.39 3.5757 0 2 2 4 24.91 37.03 3.5742 -1 0 3 2 25.03 18.46 3.5577 0 1 3 4 25.13 26.63 3.5442 2 0 2 2 25.17 6.39 3.5378 1 0 3 2 26.68 1.28 3.3412 -2 1 2 4 26.73 5.34 3.3357 -1 2 2 4 26.81 1.01 3.3259 -1 1 3 4 26.89 14.22 3.3159 1 2 2 4 27.05 37.24 3.2966 1 1 3 4 28.82 45.25 3.0981 -2 2 1 4 28.97 100.00 3.0823 2 2 1 4 30.36 2.08 2.9441 0 2 3 4 30.51 14.93 2.9295 0 3 1 4 30.83 4.18 2.9000 0 0 4 2 31.15 6.73 2.8713 1 3 0 4 31.23 6.75 2.8638 3 1 0 4 31.76 11.93 2.8179 -2 2 2 4 31.79 45.84 2.8150 -2 1 3 4 32.03 6.12 2.7941 2 2 2 4 32.08 5.75 2.7901 -1 3 1 4 32.09 15.57 2.7890 -3 1 1 4 32.20 24.80 2.7796 2 1 3 4 32.30 3.62 2.7717 3 1 1 4 32.41 45.37 2.7626 0 1 4 4 33.38 12.47 2.6840 0 3 2 4 34.75 1.46 2.5816 -3 1 2 4 34.93 1.41 2.5687 1 3 2 4 35.13 1.14 2.5543 3 1 2 4 35.68 6.64 2.5166 2 3 0 4 36.47 3.98 2.4634 -2 3 1 4 36.49 15.43 2.4624 -3 2 1 4 36.56 2.45 2.4577 -2 0 4 2 36.60 9.47 2.4554 2 3 1 4 36.77 5.79 2.4442 0 2 4 4 37.55 1.63 2.3954 -3 0 3 2 37.74 1.08 2.3838 0 3 3 4 38.09 12.87 2.3628 3 0 3 2 38.26 13.54 2.3526 1 2 4 4 38.40 2.36 2.3441 2 1 4 4 38.88 2.87 2.3162 -3 1 3 4 38.88 7.04 2.3162 -3 2 2 4 39.13 3.45 2.3021 2 3 2 4 39.23 2.09 2.2963 3 2 2 4 39.40 2.77 2.2867 3 1 3 4 39.83 22.44 2.2633 4 0 0 2 39.98 5.94 2.2550 -1 0 5 2 40.98 1.42 2.2025 1 4 0 4 41.25 3.00 2.1886 -1 1 5 4 41.72 7.03 2.1652 -1 4 1 4 41.76 2.19 2.1632 -4 1 1 4 41.79 2.52 2.1615 -2 2 4 4 42.23 5.12 2.1400 2 2 4 4 42.67 6.02 2.1188 -3 2 3 4 42.76 15.50 2.1145 0 4 2 4 43.20 2.53 2.0943 0 3 4 4 43.82 9.68 2.0660 0 2 5 4 43.92 1.44 2.0614 -1 4 2 4 44.03 4.11 2.0567 1 4 2 4 44.15 7.94 2.0515 -3 1 4 4 44.50 1.13 2.0358 1 3 4 4 44.74 1.30 2.0257 4 2 0 4 44.77 6.11 2.0241 3 1 4 4 44.88 2.35 2.0197 -1 2 5 4 45.06 2.84 2.0121 -3 3 2 4 45.14 1.36 2.0087 1 2 5 4 45.31 9.68 2.0015 -2 4 1 4 45.35 1.61 1.9998 -4 2 1 4 45.37 18.75 1.9990 3 3 2 4 45.41 5.47 1.9972 2 4 1 4 45.56 3.42 1.9912 4 2 1 4 47.35 2.52 1.9200 -4 2 2 4 47.56 3.26 1.9120 2 4 2 4 47.58 1.30 1.9110 1 4 3 4 47.60 16.90 1.9105 -3 2 4 4 47.66 1.57 1.9081 -2 3 4 4 47.75 1.06 1.9049 4 2 2 4 47.92 2.60 1.8985 4 1 3 4 48.05 2.43 1.8933 2 3 4 4 48.12 5.75 1.8909 0 1 6 4 48.19 1.39 1.8884 3 2 4 4 48.90 1.30 1.8627 3 3 3 4 49.50 5.23 1.8415 0 3 5 4 49.92 4.64 1.8268 3 0 5 2 50.46 5.23 1.8085 -1 3 5 4 50.95 2.22 1.7925 2 4 3 4 50.99 4.60 1.7910 3 1 5 4 51.01 12.67 1.7903 3 4 1 4 51.09 3.67 1.7879 0 4 4 4 51.11 2.80 1.7871 -2 0 6 2 51.17 2.39 1.7851 4 2 3 4 51.37 7.83 1.7788 0 2 6 4 51.46 5.17 1.7757 5 1 0 4 51.67 4.78 1.7689 2 0 6 2 51.88 2.77 1.7624 -4 1 4 4 51.96 10.23 1.7597 1 5 1 4 52.16 5.01 1.7535 -2 1 6 4 52.22 1.04 1.7516 5 1 1 4 52.28 3.76 1.7498 -1 2 6 4 52.62 2.57 1.7393 4 1 4 4 52.72 2.93 1.7363 2 1 6 4 52.73 10.64 1.7359 -3 4 2 4 52.73 8.33 1.7358 -4 3 2 4 52.96 1.07 1.7288 -3 3 4 4 53.51 12.68 1.7125 -2 3 5 4 53.51 2.01 1.7124 3 3 4 4 53.89 1.34 1.7013 1 5 2 4 53.97 11.80 1.6991 2 3 5 4 54.23 3.46 1.6913 5 1 2 4 55.00 6.95 1.6696 -2 5 1 4 55.06 1.11 1.6678 -2 4 4 4 55.07 9.40 1.6676 -5 2 1 4 55.09 1.87 1.6671 2 5 1 4 55.29 1.58 1.6614 5 2 1 4 55.76 10.13 1.6487 -5 0 3 2 56.18 1.07 1.6372 3 4 3 4 56.30 1.01 1.6341 -1 0 7 2 56.44 1.55 1.6302 0 1 7 4 56.61 3.13 1.6260 1 0 7 2 56.75 2.01 1.6222 -5 1 3 4 56.96 2.52 1.6166 2 5 2 4 57.12 4.70 1.6124 -3 1 6 4 57.23 2.05 1.6097 5 2 2 4 57.28 1.72 1.6083 -1 1 7 4 57.40 9.73 1.6052 5 1 3 4 57.61 4.54 1.6001 -1 4 5 4 57.82 3.45 1.5946 1 4 5 4 59.06 1.86 1.5642 3 3 5 4 59.98 2.13 1.5424 2 5 3 4 60.03 1.07 1.5412 -3 2 6 4 60.03 2.68 1.5411 4 4 2 4 60.12 1.30 1.5390 -2 3 6 4 60.41 2.29 1.5324 -2 4 5 4 60.54 1.29 1.5294 4 3 4 4 60.64 2.27 1.5270 2 1 7 4 60.79 2.69 1.5238 3 2 6 4 61.14 4.17 1.5158 1 5 4 4 61.23 1.59 1.5138 0 6 0 2 61.58 1.82 1.5059 -3 5 2 4 61.60 4.91 1.5056 -5 3 2 4 61.62 3.09 1.5051 5 1 4 4 62.02 1.60 1.4965 5 3 2 4 62.17 4.71 1.4931 1 6 0 4 64.36 1.06 1.4474 -3 5 3 4 66.42 1.04 1.4075 -4 2 6 4 67.15 2.16 1.3940 -1 6 3 4 67.56 1.08 1.3866 -2 0 8 2 67.85 1.18 1.3813 0 2 8 4 69.46 1.01 1.3531 3 6 0 4 70.12 1.60 1.3420 0 6 4 4 71.23 1.02 1.3239 0 5 6 4 74.24 1.14 1.2774 -4 5 4 4 78.06 1.94 1.2243 0 5 7 4 78.38 1.71 1.2200 -5 1 7 4 78.41 2.52 1.2197 -1 7 3 4 78.81 1.81 1.2144 -5 4 5 4 79.51 2.59 1.2055 -3 3 8 4 79.62 1.13 1.2041 5 3 6 4 82.56 1.66 1.1685 5 5 4 4 84.97 1.05 1.1414 3 2 9 4 85.35 1.23 1.1374 3 7 3 4 86.45 1.08 1.1257 4 7 0 4 87.47 1.19 1.1151 -5 6 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.