Bornite
      Ding Y, Veblen D R, Prewitt C T
      American Mineralogist 90 (2005) 1265-1269
      Possible Fe/Cu ordering schemes in the 2a superstructure of bornite (Cu5FeS4)
      Sample: 2a CuFe(anti) superstructure model, alternative 1
      Note: Energetically preferred model
      _database_code_amcsd 0003824

      CELL PARAMETERS:   10.7100  10.7100  10.7100   90.000   90.000   90.000
      SPACE GROUP: F-43m     
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:   1228.481
      Density (g/cm3):      5.343
      MAX. ABS. INTENSITY / VOLUME**2:      110.5224164    
      RIR:      6.736
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                14.32         22.70        6.1834    1   1   1         4
                27.62         13.45        3.2292    3   1   1        12
                28.88         48.57        3.0917    2   2   2         4
                33.47         39.35        2.6775    4   0   0         6
                36.57          6.07        2.4570    3   3   1        12
                43.93          3.44        2.0611    5   1   1        12
                43.93          1.15        2.0611    3   3   3         4
                48.06        100.00        1.8933    4   4   0        12
                50.41          4.35        1.8103    5   3   1        24
                56.33          1.47        1.6333    5   3   3        12
                57.04         16.89        1.6146    6   2   2        12
                59.83          8.55        1.5459    4   4   4         4
                61.87          1.05        1.4997    5   5   1        12
                61.87          1.05        1.4997    7   1   1        12
                67.13          1.56        1.3943    7   3   1        24
                70.32         13.08        1.3388    8   0   0         6
                77.73          5.76        1.2285    6   6   2        12
                80.15          8.83        1.1974    8   4   0        24
                89.70         24.34        1.0931    8   4   4        12
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.