Sulfur Rettig S J, Trotter J Acta Crystallographica C43 (1987) 2260-2262 Refinement of the structure of orthorhombic sulfur, alpha-S8 Locality: synthetic Sample: at T = 298 K Note: alpha phase _database_code_amcsd 0010058 CELL PARAMETERS: 10.4646 12.8660 24.4860 90.000 90.000 90.000 SPACE GROUP: Fddd X-RAY WAVELENGTH: 1.541838 Cell Volume: 3296.735 Density (g/cm3): 2.067 MAX. ABS. INTENSITY / VOLUME**2: 11.70860134 RIR: 1.844 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.48 6.83 7.7058 1 1 1 8 15.39 15.28 5.7559 1 1 3 8 15.56 6.38 5.6947 0 2 2 4 18.44 1.67 4.8113 2 0 2 4 21.19 2.26 4.1933 1 1 5 8 21.90 12.06 4.0592 2 2 0 4 22.70 13.71 3.9172 1 3 1 8 23.08 100.00 3.8529 2 2 2 8 24.95 6.94 3.5689 1 3 3 8 25.85 37.93 3.4461 0 2 6 4 26.34 2.61 3.3830 2 2 4 8 26.73 22.32 3.3353 3 1 1 8 27.72 23.99 3.2179 2 0 6 4 27.73 11.03 3.2165 0 4 0 2 27.77 11.89 3.2125 1 1 7 8 28.68 20.33 3.1123 3 1 3 8 28.96 14.53 3.0832 1 3 5 8 29.18 1.02 3.0608 0 0 8 2 31.42 18.08 2.8474 0 4 4 4 33.31 1.98 2.6897 3 3 1 8 33.51 1.12 2.6740 2 4 2 8 34.17 10.78 2.6241 1 3 7 8 34.28 2.43 2.6161 4 0 0 2 34.93 3.59 2.5686 3 3 3 8 35.91 7.49 2.5010 2 4 4 8 36.13 4.07 2.4859 1 5 1 8 37.06 12.87 2.4257 3 1 7 8 37.38 2.11 2.4057 4 0 4 4 37.84 3.97 2.3773 4 2 2 8 37.99 4.40 2.3685 3 3 5 8 39.37 6.24 2.2884 0 2 10 4 40.69 1.47 2.2173 0 4 8 4 42.09 3.18 2.1468 1 1 11 8 42.73 5.96 2.1161 3 1 9 8 42.81 7.14 2.1122 0 6 2 4 43.15 1.78 2.0967 2 2 10 8 43.99 1.45 2.0585 5 1 1 8 44.37 1.15 2.0415 2 4 8 8 45.17 1.41 2.0071 3 5 3 8 45.62 3.39 1.9887 4 0 8 4 46.36 2.89 1.9586 2 6 2 8 47.18 1.21 1.9265 4 4 4 8 47.68 1.38 1.9072 3 5 5 8 47.79 6.21 1.9034 5 1 5 8 47.88 2.24 1.9000 4 2 8 8 49.95 1.60 1.8258 2 4 10 8 50.03 3.62 1.8231 2 2 12 8 51.27 11.48 1.7819 3 5 7 8 52.09 6.54 1.7558 5 3 5 8 53.04 5.29 1.7267 6 0 2 4 53.16 3.60 1.7230 0 4 12 4 53.18 1.71 1.7224 4 2 10 8 54.00 7.37 1.6980 1 7 5 8 55.17 1.65 1.6649 2 6 8 8 55.47 1.72 1.6566 5 3 7 8 55.79 4.96 1.6478 3 5 9 8 56.72 2.37 1.6231 6 2 4 8 56.74 4.19 1.6225 3 7 1 8 56.83 1.30 1.6201 5 5 1 8 57.26 1.16 1.6090 4 0 12 4 57.36 4.15 1.6062 2 2 14 8 57.59 1.77 1.6004 1 1 15 8 57.82 1.74 1.5947 3 7 3 8 59.12 1.55 1.5626 4 4 10 8 60.01 1.12 1.5416 2 6 10 8 60.23 1.15 1.5364 4 6 6 8 60.50 1.53 1.5304 0 0 16 2 61.67 1.70 1.5041 1 5 13 8 63.02 1.63 1.4750 6 2 8 8 64.79 2.10 1.4390 4 4 12 8 65.63 1.60 1.4225 2 6 12 8 65.86 1.41 1.4182 1 1 17 8 69.47 2.34 1.3531 6 6 0 4 72.37 1.43 1.3057 3 9 3 8 72.78 1.31 1.2995 6 4 10 8 73.76 1.14 1.2846 5 7 7 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.