Pyrite
      Schmid-Beurmann P, Lottermoser W
      Physics and Chemistry of Minerals 19 (1993) 571-577
      57Fe-Moessbauer spectra, electronic and crystal structure of members of the CuS2-FeS2
      solid solution series
      _database_code_amcsd 0007752

      CELL PARAMETERS:    5.7249   5.7249   5.7249   90.000   90.000   90.000
      SPACE GROUP: Pa3       
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    187.631
      Density (g/cm3):      4.315
      MAX. ABS. INTENSITY / VOLUME**2:      50.37980925    
      RIR:      3.802
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                26.98         23.29        3.3053    1   1   1         8
                31.25        100.00        2.8624    2   0   0         6
                35.05         33.31        2.5603    2   1   0        12
                38.52         30.95        2.3372    2   1   1        24
                44.78         46.14        2.0241    2   2   0        12
                47.65          1.69        1.9083    2   2   1        24
                53.05         68.66        1.7261    3   1   1        24
                55.61         13.02        1.6526    2   2   2         8
                58.09         13.83        1.5878    3   0   2        12
                60.51         15.20        1.5300    3   2   1        24
                60.51          1.39        1.5300    3   1   2        24
                67.45          1.18        1.3885    3   2   2        24
                67.45          1.00        1.3885    4   1   0        12
                69.68          1.14        1.3494    4   1   1        24
                71.88         11.22        1.3134    3   3   1        24
                74.06          3.64        1.2801    4   0   2        12
                74.06          3.64        1.2801    4   2   0        12
                76.21          3.44        1.2493    4   2   1        24
                78.34          1.39        1.2206    3   3   2        24
                82.55          7.64        1.1686    4   2   2        24
                84.65          1.18        1.1450    4   3   0        12
                86.73          1.40        1.1227    4   1   3        24
                88.81          2.62        1.1018    3   3   3         8
                88.81         20.69        1.1018    5   1   1        24
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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.