Cubanite Fleet M E Zeitschrift fur Kristallographie 132 (1971) 276-287 Refinement of the crystal structure of cubanite and polymorphism of CuFe2S3 Sample: anisotropic refinement Note: x(S1) corrected _database_code_amcsd 0010719 CELL PARAMETERS: 6.4679 11.1201 6.2336 90.000 90.000 90.000 SPACE GROUP: Pcmn X-RAY WAVELENGTH: 1.541838 Cell Volume: 448.344 Density (g/cm3): 4.021 MAX. ABS. INTENSITY / VOLUME**2: 28.42959307 RIR: 2.302 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.94 2.18 5.5601 0 2 0 2 19.78 7.83 4.4884 1 0 1 4 25.50 71.48 3.4924 1 2 1 8 27.58 43.66 3.2339 2 0 0 2 27.74 100.00 3.2160 1 3 0 4 28.64 27.12 3.1168 0 0 2 2 29.77 53.54 3.0011 0 1 2 4 31.16 3.61 2.8706 2 0 1 4 31.30 7.97 2.8581 1 3 1 8 31.87 1.44 2.8078 1 0 2 4 32.02 1.67 2.7955 2 2 0 4 32.21 41.77 2.7795 2 1 1 8 35.83 14.09 2.5063 1 2 2 8 37.71 2.76 2.3855 0 3 2 4 38.08 28.31 2.3634 1 4 1 8 39.71 3.03 2.2696 2 3 1 8 40.18 3.64 2.2442 2 0 2 4 40.30 9.97 2.2382 1 3 2 8 41.03 10.95 2.1998 2 1 2 8 45.87 3.34 1.9783 1 0 3 4 45.94 8.13 1.9755 1 4 2 8 46.63 1.00 1.9477 1 1 3 8 48.87 14.15 1.8638 1 2 3 8 48.87 64.66 1.8637 3 3 0 4 49.16 32.27 1.8534 0 6 0 2 50.41 8.77 1.8104 0 5 2 4 51.54 1.02 1.7731 3 0 2 4 52.02 7.47 1.7581 2 5 1 8 52.34 21.23 1.7481 2 0 3 4 52.43 40.81 1.7453 1 3 3 8 53.03 12.21 1.7269 2 1 3 8 54.30 15.26 1.6893 3 2 2 8 56.95 5.52 1.6170 4 0 0 2 57.15 10.37 1.6118 1 4 3 8 57.30 8.53 1.6080 2 6 0 4 57.63 9.83 1.5995 3 3 2 8 57.89 5.10 1.5930 0 6 2 4 58.36 3.71 1.5811 2 3 3 8 58.42 2.74 1.5797 2 5 2 8 59.30 1.98 1.5584 0 0 4 2 59.36 1.29 1.5570 2 6 1 8 59.66 5.76 1.5499 4 1 1 8 62.09 11.59 1.4949 3 4 2 8 64.97 1.10 1.4353 4 0 2 4 65.30 1.33 1.4290 2 6 2 8 65.58 2.04 1.4235 4 1 2 8 66.01 5.06 1.4153 0 7 2 4 66.69 1.22 1.4024 1 3 4 8 67.37 4.46 1.3899 2 7 1 8 68.24 3.78 1.3744 2 5 3 8 69.50 1.46 1.3525 1 6 3 8 70.99 2.23 1.3278 1 8 1 8 72.96 1.79 1.2966 2 7 2 8 74.07 2.17 1.2800 4 5 1 8 74.33 5.41 1.2761 4 0 3 4 74.63 12.01 1.2717 2 6 3 8 74.90 3.40 1.2678 4 1 3 8 77.25 2.00 1.2350 5 2 1 8 78.28 2.34 1.2213 5 3 0 4 78.50 3.52 1.2184 4 6 0 4 78.87 3.16 1.2136 1 9 0 4 80.31 2.69 1.1955 3 3 4 8 80.53 1.25 1.1928 0 6 4 4 81.95 3.31 1.1757 2 7 3 8 83.01 5.66 1.1633 2 0 5 4 83.09 10.82 1.1624 1 3 5 8 83.96 1.89 1.1526 5 4 1 8 85.35 1.55 1.1373 1 8 3 8 87.49 1.84 1.1149 4 7 1 8 88.29 1.60 1.1068 4 5 3 8 89.61 2.15 1.0939 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.