Sulfur Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040135 Wyckoff R W G Crystal Structures 1 (1963) 7-83 Second edition. Interscience Publishers, New York, New York CELL PARAMETERS: 10.4668 12.8711 24.4850 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: 12.79673856 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.48 6.61 7.7078 1 1 1 15.39 14.86 5.7566 1 1 3 15.56 6.16 5.6964 0 2 2 18.44 1.74 4.8122 2 0 2 21.19 2.06 4.1935 1 1 5 21.89 11.88 4.0603 2 2 0 22.69 13.81 3.9186 1 3 1 23.08 100.00 3.8539 2 2 2 24.94 6.62 3.5699 1 3 3 25.85 38.72 3.4464 0 2 6 26.34 2.72 3.3836 2 2 4 26.72 22.66 3.3360 3 1 1 27.72 24.86 3.2181 2 0 6 27.72 11.32 3.2178 0 4 0 27.77 12.89 3.2125 1 1 7 28.68 21.06 3.1129 3 1 3 28.95 15.15 3.0838 1 3 5 29.18 1.10 3.0606 0 0 8 31.41 19.35 2.8482 0 4 4 33.30 2.14 2.6905 3 3 1 33.50 1.21 2.6749 2 4 2 34.16 11.73 2.6244 1 3 7 34.27 2.58 2.6167 4 0 0 34.92 3.80 2.5693 3 3 3 35.90 8.30 2.5017 2 4 4 36.12 4.53 2.4868 1 5 1 37.06 14.57 2.4259 3 1 7 37.37 2.42 2.4061 4 0 4 37.84 4.44 2.3778 4 2 2 37.98 5.13 2.3690 3 3 5 39.37 7.24 2.2885 0 2 10 40.68 1.77 2.2177 0 4 8 42.09 3.72 2.1467 1 1 11 42.73 7.37 2.1162 3 1 9 42.80 8.83 2.1130 0 6 2 43.14 2.25 2.0968 2 2 10 43.98 1.71 2.0589 5 1 1 44.36 1.30 2.0419 2 4 8 45.16 1.87 2.0078 3 5 3 45.61 4.14 1.9889 4 0 8 46.34 3.58 1.9593 2 6 2 47.17 1.48 1.9269 4 4 4 47.67 1.72 1.9078 3 5 5 47.78 8.25 1.9037 5 1 5 47.87 3.07 1.9002 4 2 8 47.91 1.25 1.8988 0 6 6 49.52 1.25 1.8407 1 5 9 49.69 1.17 1.8348 1 1 13 49.94 2.20 1.8261 2 4 10 50.03 4.96 1.8232 2 2 12 51.26 15.56 1.7823 3 5 7 52.08 8.99 1.7562 5 3 5 53.02 7.35 1.7270 6 0 2 53.15 5.12 1.7232 0 4 12 53.17 2.38 1.7226 4 2 10 53.28 1.36 1.7193 3 3 11 53.98 10.55 1.6986 1 7 5 55.15 2.42 1.6653 2 6 8 55.26 1.17 1.6624 1 5 11 55.46 2.44 1.6569 5 3 7 55.78 7.17 1.6481 3 5 9 55.94 1.11 1.6438 3 1 13 56.70 3.48 1.6234 6 2 4 56.72 6.10 1.6231 3 7 1 56.81 1.91 1.6206 5 5 1 57.25 1.74 1.6091 4 0 12 57.36 6.07 1.6063 2 2 14 57.60 2.50 1.6003 1 1 15 57.80 2.59 1.5953 3 7 3 59.11 2.39 1.5628 4 4 10 60.00 1.64 1.5419 2 6 10 60.22 1.81 1.5368 4 6 6 60.50 2.39 1.5303 0 0 16 61.66 2.65 1.5043 1 5 13 62.25 1.31 1.4915 2 8 4 63.01 2.61 1.4752 6 2 8 63.68 1.16 1.4613 7 1 3 64.78 3.51 1.4392 4 4 12 64.89 1.17 1.4369 5 3 11 64.96 1.53 1.4356 6 4 6 65.62 2.79 1.4228 2 6 12 65.69 1.25 1.4213 7 1 5 65.85 1.60 1.4183 4 2 14 65.86 2.35 1.4182 1 1 17 67.30 1.29 1.3913 7 3 3 68.94 1.01 1.3620 4 8 2 69.00 1.23 1.3611 1 9 5 69.25 1.11 1.3567 7 3 5 69.42 1.48 1.3539 1 3 17 69.44 4.34 1.3534 6 6 0 72.34 2.76 1.3062 3 9 3 72.76 2.55 1.2997 6 4 10 72.83 1.17 1.2987 6 2 12 73.74 2.23 1.2849 5 7 7 74.24 1.35 1.2775 3 9 5 75.81 1.83 1.2549 8 2 4 77.24 1.04 1.2351 6 0 14 79.46 1.76 1.2061 8 4 2 82.55 1.16 1.1687 5 9 3 82.62 1.22 1.1678 7 5 9 88.87 1.28 1.1011 7 7 7 89.67 1.34 1.0934 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.