Sulfur Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050006 Wyckoff R W G Crystal Structures 1 (1963) 7-83 Second edition. Interscience Publishers, New York, New York CELL PARAMETERS: 10.4677 12.8640 24.4810 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: Fddd ATOM X Y Z OCCUPANCY ISO(B) S 0.85540 0.95260 0.95160 1.000 1.000 S 0.78440 0.03010 0.07630 1.000 1.000 S 0.70690 0.97950 0.00400 1.000 1.000 S 0.78620 0.90730 0.12900 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 11 +/- 22 MAX. ABS. INTENSITY / VOLUME**2: 12.80680320 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.48 6.61 7.7065 1 1 1 15.39 14.86 5.7557 1 1 3 15.56 6.15 5.6938 0 2 2 18.44 1.74 4.8124 2 0 2 21.19 2.06 4.1928 1 1 5 21.89 11.88 4.0596 2 2 0 22.70 13.80 3.9169 1 3 1 23.08 100.00 3.8532 2 2 2 24.95 6.62 3.5685 1 3 3 25.86 38.71 3.4454 0 2 6 26.34 2.72 3.3831 2 2 4 26.72 22.68 3.3361 3 1 1 27.72 24.86 3.2179 2 0 6 27.74 11.30 3.2160 0 4 0 27.77 12.89 3.2120 1 1 7 28.68 21.07 3.1129 3 1 3 28.96 15.15 3.0827 1 3 5 29.18 1.10 3.0601 0 0 8 31.42 19.33 2.8469 0 4 4 33.31 2.14 2.6900 3 3 1 33.51 1.21 2.6739 2 4 2 34.18 11.72 2.6237 1 3 7 34.27 2.59 2.6169 4 0 0 34.93 3.80 2.5688 3 3 3 35.91 8.30 2.5009 2 4 4 36.14 4.53 2.4855 1 5 1 37.06 14.57 2.4258 3 1 7 37.37 2.43 2.4062 4 0 4 37.84 4.44 2.3778 4 2 2 37.99 5.13 2.3686 3 3 5 39.38 7.24 2.2880 0 2 10 40.70 1.77 2.2169 0 4 8 42.10 3.72 2.1464 1 1 11 42.73 7.37 2.1160 3 1 9 42.82 8.82 2.1118 0 6 2 43.15 2.25 2.0964 2 2 10 43.98 1.71 2.0590 5 1 1 44.38 1.30 2.0413 2 4 8 45.17 1.87 2.0071 3 5 3 45.61 4.14 1.9889 4 0 8 46.36 3.58 1.9584 2 6 2 47.17 1.48 1.9266 4 4 4 47.68 1.72 1.9072 3 5 5 47.78 8.26 1.9038 5 1 5 47.87 3.07 1.9001 4 2 8 47.93 1.25 1.8979 0 6 6 49.54 1.25 1.8400 1 5 9 49.70 1.17 1.8345 1 1 13 49.96 2.20 1.8256 2 4 10 50.04 4.95 1.8229 2 2 12 51.27 15.55 1.7818 3 5 7 52.08 8.99 1.7561 5 3 5 53.02 7.36 1.7272 6 0 2 53.17 5.12 1.7227 0 4 12 53.18 2.38 1.7225 4 2 10 53.29 1.36 1.7190 3 3 11 54.01 10.53 1.6977 1 7 5 55.17 2.41 1.6647 2 6 8 55.28 1.17 1.6618 1 5 11 55.46 2.44 1.6568 5 3 7 55.80 7.16 1.6476 3 5 9 55.94 1.11 1.6436 3 1 13 56.70 3.48 1.6235 6 2 4 56.74 6.10 1.6224 3 7 1 56.82 1.91 1.6203 5 5 1 57.26 1.74 1.6089 4 0 12 57.37 6.07 1.6060 2 2 14 57.61 2.50 1.6001 1 1 15 57.82 2.59 1.5946 3 7 3 59.12 2.39 1.5626 4 4 10 60.02 1.64 1.5414 2 6 10 60.23 1.81 1.5364 4 6 6 60.51 2.39 1.5301 0 0 16 61.68 2.65 1.5038 1 5 13 62.28 1.31 1.4908 2 8 4 63.01 2.61 1.4752 6 2 8 63.68 1.17 1.4614 7 1 3 64.79 3.51 1.4389 4 4 12 64.90 1.17 1.4367 5 3 11 64.97 1.53 1.4355 6 4 6 65.64 2.79 1.4223 2 6 12 65.69 1.25 1.4214 7 1 5 65.86 1.60 1.4181 4 2 14 65.87 2.35 1.4179 1 1 17 67.30 1.29 1.3913 7 3 3 68.97 1.01 1.3615 4 8 2 69.04 1.22 1.3604 1 9 5 69.25 1.11 1.3567 7 3 5 69.43 1.48 1.3537 1 3 17 69.46 4.34 1.3532 6 6 0 72.38 2.76 1.3056 3 9 3 72.77 2.55 1.2996 6 4 10 72.83 1.17 1.2986 6 2 12 73.76 2.23 1.2846 5 7 7 74.28 1.35 1.2769 3 9 5 75.80 1.83 1.2550 8 2 4 77.25 1.04 1.2351 6 0 14 79.46 1.76 1.2061 8 4 2 82.58 1.16 1.1683 5 9 3 82.63 1.22 1.1677 7 5 9 88.89 1.28 1.1009 7 7 7 89.68 1.34 1.0933 5 1 19 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.