Gudmundite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060741 Buerger M J American Mineralogist 24 (1939) 183-184 The crystal structure of gudmundite CELL PARAMETERS: 6.0487 5.9343 6.0511 90.000 67.821 90.000 SPACE GROUP: P2_1/c ATOM X Y Z OCCUPANCY ISO(B) Fe -0.30000 0.01500 0.30000 1.000 0.700 Sb 0.14900 0.13100 0.13200 1.000 1.000 S -0.35600 0.14500 0.66700 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 5 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 71.54032457 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.82 16.04 5.6012 1 0 0 21.81 11.07 4.0742 0 1 1 21.82 31.44 4.0733 1 1 0 23.21 18.32 3.8330 1 1 1 29.79 28.30 2.9993 1 0 2 30.12 6.08 2.9671 0 2 0 30.47 19.77 2.9339 -1 1 1 31.94 17.34 2.8017 0 0 2 31.96 25.56 2.8006 2 0 0 33.48 12.02 2.6769 1 1 2 33.49 28.18 2.6761 2 1 1 34.19 25.49 2.6222 0 2 1 34.20 1.69 2.6220 1 2 0 35.13 100.00 2.5544 1 2 1 35.43 51.52 2.5335 0 1 2 35.44 57.14 2.5327 2 1 0 35.77 12.41 2.5104 2 0 2 38.95 8.91 2.3121 2 1 2 41.11 23.18 2.1959 -1 0 2 42.88 2.60 2.1090 2 2 1 43.97 2.40 2.0594 -1 1 2 43.97 13.17 2.0591 -2 1 1 44.47 4.05 2.0371 0 2 2 44.48 4.08 2.0366 2 2 0 47.22 2.39 1.9247 3 0 2 47.44 9.53 1.9165 2 2 2 47.67 34.46 1.9078 1 1 3 47.69 33.02 1.9071 3 1 1 48.78 1.21 1.8671 3 0 0 48.82 7.51 1.8653 0 3 1 48.83 2.06 1.8652 1 3 0 49.53 11.67 1.8404 1 3 1 49.79 4.08 1.8312 2 1 3 49.80 6.96 1.8308 3 1 2 51.79 2.51 1.7651 -1 2 2 51.80 11.08 1.7649 -2 2 1 53.71 34.13 1.7066 -1 3 1 54.36 16.01 1.6876 -2 0 2 55.10 4.51 1.6668 1 2 3 55.12 5.19 1.6663 3 2 1 55.66 3.02 1.6513 1 3 2 55.67 1.81 1.6511 2 3 1 56.99 5.72 1.6159 0 3 2 57.00 8.64 1.6157 2 3 0 57.02 5.40 1.6150 2 2 3 57.19 14.29 1.6108 3 1 3 58.38 4.10 1.5807 0 2 3 58.40 2.11 1.5802 3 2 0 59.49 1.17 1.5537 2 3 2 61.89 1.17 1.4992 4 0 2 62.62 3.06 1.4836 0 4 0 63.86 8.49 1.4577 3 2 3 64.04 5.19 1.4540 2 1 4 64.06 4.03 1.4535 4 1 2 64.09 2.40 1.4530 1 1 4 65.03 3.15 1.4341 1 4 0 66.21 2.36 1.4115 1 3 3 66.22 2.20 1.4112 3 3 1 66.38 13.87 1.4082 -1 2 3 66.40 9.86 1.4079 -3 2 1 66.65 1.70 1.4033 3 0 4 66.78 3.87 1.4008 0 0 4 66.81 3.39 1.4003 4 0 0 67.95 3.13 1.3795 3 3 2 68.75 1.18 1.3654 4 1 3 68.90 2.28 1.3629 4 1 0 69.18 4.26 1.3581 0 3 3 70.34 1.57 1.3384 2 2 4 70.36 1.61 1.3381 4 2 2 70.38 1.32 1.3377 1 2 4 70.41 3.31 1.3373 4 2 1 70.86 1.62 1.3298 1 4 2 72.41 1.94 1.3052 -3 1 2 74.26 13.38 1.2772 2 4 2 75.78 3.88 1.2552 4 0 4 75.99 2.41 1.2523 -1 0 4 76.61 1.18 1.2437 -3 3 1 77.77 2.58 1.2280 4 1 4 77.98 1.43 1.2253 -1 1 4 78.01 4.96 1.2249 -4 1 1 79.20 3.06 1.2094 5 0 2 80.35 1.96 1.1951 2 3 4 80.39 1.32 1.1945 1 3 4 81.13 3.73 1.1855 2 1 5 82.83 1.23 1.1655 1 1 5 82.87 2.32 1.1650 5 1 1 83.17 4.77 1.1615 3 4 0 83.21 1.82 1.1611 1 5 0 83.74 1.17 1.1550 1 5 1 84.70 1.95 1.1444 4 3 3 84.83 1.06 1.1429 4 3 0 87.03 3.14 1.1197 -1 5 1 87.56 3.89 1.1142 -2 4 2 88.14 3.70 1.1083 -2 3 3 88.44 3.00 1.1054 -3 1 3 88.65 2.65 1.1034 1 2 5 88.69 1.52 1.1030 5 -2 1 88.86 2.81 1.1012 0 1 5 89.63 2.24 1.0938 3 2 5 89.66 1.91 1.0935 5 -2 3 89.73 4.54 1.0928 0 5 2 89.73 2.78 1.0928 2 5 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.