Cubanite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R061068 Buerger M J American Mineralogist 32 (1947) 415-425 The crystal structure of cubanite CELL PARAMETERS: 6.4670 11.1140 6.2320 90.000 90.000 90.000 SPACE GROUP: Pcmn ATOM X Y Z OCCUPANCY ISO(B) Fe 0.08330 0.08300 0.13500 1.000 0.700 Cu 0.58330 0.25000 0.12200 1.000 0.700 S 0.91670 0.25000 0.27000 1.000 1.000 S 0.41670 0.08300 0.26500 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 10 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 27.30266508 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 19.78 8.57 4.4875 1 0 1 25.51 83.96 3.4913 1 2 1 27.59 50.95 3.2335 2 0 0 27.75 100.00 3.2146 1 3 0 28.65 27.05 3.1160 0 0 2 29.78 50.65 3.0003 0 1 2 31.16 3.76 2.8702 2 0 1 31.31 7.46 2.8569 1 3 1 31.88 1.59 2.8071 1 0 2 32.21 44.07 2.7790 2 1 1 35.84 15.27 2.5056 1 2 2 37.72 3.85 2.3846 0 3 2 38.09 26.73 2.3623 1 4 1 39.73 2.32 2.2689 2 3 1 40.19 4.61 2.2437 2 0 2 40.31 9.12 2.2374 1 3 2 41.04 10.12 2.1994 2 1 2 45.88 2.66 1.9778 1 0 3 45.96 7.00 1.9747 1 4 2 48.88 17.72 1.8633 1 2 3 48.88 69.55 1.8632 3 3 0 49.19 34.04 1.8523 0 6 0 50.43 10.61 1.8096 0 5 2 51.55 1.37 1.7728 3 0 2 52.04 10.01 1.7574 2 5 1 52.35 22.32 1.7477 2 0 3 52.44 44.38 1.7447 1 3 3 53.04 13.23 1.7265 2 1 3 54.32 16.27 1.6889 3 2 2 56.96 5.08 1.6168 4 0 0 57.17 10.06 1.6113 1 4 3 57.32 9.98 1.6073 2 6 0 57.64 10.51 1.5991 3 3 2 57.92 5.17 1.5922 0 6 2 58.38 2.28 1.5807 2 3 3 58.44 3.17 1.5791 2 5 2 59.31 2.20 1.5580 0 0 4 59.38 1.32 1.5564 2 6 1 59.67 6.07 1.5497 4 1 1 62.11 9.87 1.4945 3 4 2 65.33 1.70 1.4284 2 6 2 65.59 2.04 1.4233 4 1 2 66.04 3.90 1.4147 0 7 2 66.72 1.41 1.4020 1 3 4 67.41 3.83 1.3893 2 7 1 68.27 5.49 1.3739 2 5 3 69.53 1.21 1.3520 1 6 3 71.03 3.33 1.3271 1 8 1 73.00 1.36 1.2960 2 7 2 74.09 2.84 1.2796 4 5 1 74.35 6.49 1.2759 4 0 3 74.67 12.78 1.2712 2 6 3 74.92 3.88 1.2675 4 1 3 76.51 1.21 1.2451 1 8 2 77.27 2.44 1.2348 5 2 1 78.30 3.36 1.2211 5 3 0 78.53 3.30 1.2180 4 6 0 78.92 3.26 1.2130 1 9 0 79.50 1.05 1.2056 4 5 2 80.33 2.82 1.1952 3 3 4 80.57 1.39 1.1923 0 6 4 81.99 2.82 1.1752 2 7 3 83.04 5.61 1.1630 2 0 5 83.12 11.19 1.1621 1 3 5 83.98 1.83 1.1524 5 4 1 85.40 2.64 1.1368 1 8 3 87.53 1.61 1.1145 4 7 1 88.32 2.38 1.1065 4 5 3 89.66 2.96 1.0935 3 8 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.