Cubanite
      Fleet M E
      Zeitschrift fur Kristallographie 132 (1971) 276-287
      Refinement of the crystal structure of
      cubanite and polymorphism of CuFe2S3
      Sample: isotropic refinement
      _database_code_amcsd 0010720

      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:      28.29200845    
      RIR:      2.291
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                15.94          2.11        5.5601    0   2   0         2
                19.78          7.95        4.4884    1   0   1         4
                25.50         71.17        3.4924    1   2   1         8
                27.58         43.93        3.2339    2   0   0         2
                27.74        100.00        3.2160    1   3   0         4
                28.64         27.49        3.1168    0   0   2         2
                29.77         52.44        3.0011    0   1   2         4
                31.16          3.34        2.8706    2   0   1         4
                31.30          7.07        2.8581    1   3   1         8
                31.87          1.54        2.8078    1   0   2         4
                32.02          1.64        2.7955    2   2   0         4
                32.21         41.27        2.7795    2   1   1         8
                35.83         13.67        2.5063    1   2   2         8
                37.71          2.83        2.3855    0   3   2         4
                38.08         27.79        2.3634    1   4   1         8
                39.71          3.32        2.2696    2   3   1         8
                40.18          3.83        2.2442    2   0   2         4
                40.30         10.15        2.2382    1   3   2         8
                41.03         10.49        2.1998    2   1   2         8
                45.87          3.54        1.9783    1   0   3         4
                45.94          7.77        1.9755    1   4   2         8
                48.87         13.76        1.8638    1   2   3         8
                48.87         64.32        1.8637    3   3   0         4
                49.16         32.07        1.8534    0   6   0         2
                50.41          8.24        1.8104    0   5   2         4
                51.54          1.08        1.7731    3   0   2         4
                52.02          7.13        1.7581    2   5   1         8
                52.34         21.17        1.7481    2   0   3         4
                52.43         40.79        1.7453    1   3   3         8
                53.03         11.86        1.7269    2   1   3         8
                54.30         14.22        1.6893    3   2   2         8
                56.95          5.48        1.6170    4   0   0         2
                57.15         10.01        1.6118    1   4   3         8
                57.30          8.44        1.6080    2   6   0         4
                57.63         10.40        1.5995    3   3   2         8
                57.89          5.37        1.5930    0   6   2         4
                58.36          4.04        1.5811    2   3   3         8
                58.42          2.52        1.5797    2   5   2         8
                59.30          1.69        1.5584    0   0   4         2
                59.66          5.42        1.5499    4   1   1         8
                62.09         10.64        1.4949    3   4   2         8
                64.97          1.15        1.4353    4   0   2         4
                65.30          1.44        1.4290    2   6   2         8
                65.58          1.87        1.4235    4   1   2         8
                66.01          4.62        1.4153    0   7   2         4
                66.69          1.02        1.4024    1   3   4         8
                67.37          4.18        1.3899    2   7   1         8
                68.24          3.57        1.3744    2   5   3         8
                69.50          1.62        1.3525    1   6   3         8
                70.99          2.03        1.3278    1   8   1         8
                72.96          1.59        1.2966    2   7   2         8
                74.07          1.97        1.2800    4   5   1         8
                74.33          5.39        1.2761    4   0   3         4
                74.63         11.94        1.2717    2   6   3         8
                74.90          3.18        1.2678    4   1   3         8
                77.25          1.82        1.2350    5   2   1         8
                78.28          2.27        1.2213    5   3   0         4
                78.50          3.49        1.2184    4   6   0         4
                78.87          3.11        1.2136    1   9   0         4
                80.31          2.01        1.1955    3   3   4         8
                81.95          3.11        1.1757    2   7   3         8
                83.01          5.59        1.1633    2   0   5         4
                83.09         10.66        1.1624    1   3   5         8
                83.96          1.71        1.1526    5   4   1         8
                85.35          1.41        1.1373    1   8   3         8
                87.49          1.64        1.1149    4   7   1         8
                88.29          1.45        1.1068    4   5   3         8
                89.61          1.79        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.