Cubanite Azaroff L V, Buerger M J American Mineralogist 40 (1955) 213-225 Refinement of the structure of cubanite, CuFe2S3 _database_code_amcsd 0000068 CELL PARAMETERS: 6.4600 11.1200 6.2300 90.000 90.000 90.000 SPACE GROUP: Pcmn X-RAY WAVELENGTH: 1.541838 Cell Volume: 447.533 Density (g/cm3): 4.028 MAX. ABS. INTENSITY / VOLUME**2: 29.03993865 RIR: 2.348 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.94 1.91 5.5600 0 2 0 2 19.80 11.56 4.4844 1 0 1 4 25.52 69.61 3.4905 1 2 1 8 27.62 41.82 3.2300 2 0 0 2 27.75 100.00 3.2150 1 3 0 4 28.66 26.21 3.1150 0 0 2 2 29.79 49.95 2.9995 0 1 2 4 31.19 3.78 2.8675 2 0 1 4 31.31 7.41 2.8570 1 3 1 8 31.89 1.17 2.8058 1 0 2 4 32.24 43.58 2.7767 2 1 1 8 35.85 13.07 2.5049 1 2 2 8 37.72 2.12 2.3847 0 3 2 4 38.09 28.80 2.3628 1 4 1 8 39.74 3.77 2.2681 2 3 1 8 40.22 3.78 2.2422 2 0 2 4 40.31 9.59 2.2372 1 3 2 8 41.07 9.28 2.1980 2 1 2 8 45.90 3.08 1.9770 1 0 3 4 45.96 8.33 1.9748 1 4 2 8 48.89 16.23 1.8628 1 2 3 8 48.92 64.86 1.8619 3 3 0 4 49.16 31.71 1.8533 0 6 0 2 50.42 7.31 1.8100 0 5 2 4 52.04 7.37 1.7574 2 5 1 8 52.38 20.74 1.7468 2 0 3 4 52.46 38.72 1.7444 1 3 3 8 53.07 14.54 1.7256 2 1 3 8 53.50 1.06 1.7128 1 6 1 8 54.36 13.49 1.6877 3 2 2 8 57.02 6.01 1.6150 4 0 0 2 57.17 11.93 1.6111 1 4 3 8 57.32 8.13 1.6075 2 6 0 4 57.68 10.17 1.5982 3 3 2 8 57.90 5.03 1.5927 0 6 2 4 58.40 3.07 1.5801 2 3 3 8 58.45 2.08 1.5790 2 5 2 8 59.34 2.29 1.5575 0 0 4 2 59.38 1.25 1.5565 2 6 1 8 59.73 5.48 1.5481 4 1 1 8 62.14 11.25 1.4938 3 4 2 8 65.05 1.12 1.4338 4 0 2 4 65.32 1.39 1.4285 2 6 2 8 65.66 2.27 1.4220 4 1 2 8 66.02 5.11 1.4152 0 7 2 4 66.73 1.51 1.4017 1 3 4 8 67.39 4.81 1.3896 2 7 1 8 68.28 4.52 1.3737 2 5 3 8 69.52 1.34 1.3521 1 6 3 8 70.99 2.01 1.3277 1 8 1 8 72.99 1.63 1.2962 2 7 2 8 74.14 1.95 1.2790 4 5 1 8 74.42 5.27 1.2749 4 0 3 4 74.67 11.78 1.2712 2 6 3 8 74.99 3.85 1.2666 4 1 3 8 77.36 2.15 1.2336 5 2 1 8 78.38 2.20 1.2200 5 3 0 4 78.57 3.87 1.2176 4 6 0 4 78.88 3.18 1.2136 1 9 0 4 80.38 2.91 1.1946 3 3 4 8 80.56 1.41 1.1924 0 6 4 4 81.98 3.93 1.1753 2 7 3 8 83.08 5.47 1.1625 2 0 5 4 83.14 10.21 1.1618 1 3 5 8 84.06 2.12 1.1515 5 4 1 8 85.37 1.78 1.1371 1 8 3 8 87.56 1.83 1.1143 4 7 1 8 88.38 1.79 1.1060 4 5 3 8 89.66 1.64 1.0935 3 8 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.