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 Cu(anti) superstructure model, alternative 1
      _database_code_amcsd 0003822

      CELL PARAMETERS:   10.7000  10.7000  10.7000   90.000   90.000   90.000
      SPACE GROUP: F-43m     
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:   1225.043
      Density (g/cm3):      5.358
      MAX. ABS. INTENSITY / VOLUME**2:      110.7723554    
      RIR:      6.732
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                14.34         29.76        6.1776    1   1   1         4
                27.65         18.59        3.2262    3   1   1        12
                28.91         36.33        3.0888    2   2   2         4
                33.50         39.38        2.6750    4   0   0         6
                36.61          8.56        2.4547    3   3   1        12
                43.97          4.90        2.0592    5   1   1        12
                43.97          1.63        2.0592    3   3   3         4
                48.10        100.00        1.8915    4   4   0        12
                50.46          6.25        1.8086    5   3   1        24
                56.39          2.13        1.6317    5   3   3        12
                57.10         11.86        1.6131    6   2   2        12
                59.89          8.55        1.5444    4   4   4         4
                61.93          1.52        1.4983    5   5   1        12
                61.93          1.52        1.4983    7   1   1        12
                67.20          2.27        1.3930    7   3   1        24
                67.20          1.13        1.3930    5   5   3        12
                70.39         13.07        1.3375    8   0   0         6
                77.21          1.39        1.2355    7   5   1        24
                77.82          4.05        1.2274    6   6   2        12
                80.24          8.83        1.1963    8   4   0        24
                82.05          1.14        1.1745    7   5   3        24
                89.81         24.35        1.0921    8   4   4        12
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       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.