Pertoldite
      Gibbs G V, Boisen M B, Downs R T, Lasaga A C
      Materials Research Society Symposia Proceedings 121 (1988) 155-165
      Mathematical Modeling of the structures and bulk moduli of TX2 quartz
      and cristobalite structure types, T = C, Si, Ge and X = O, S
      Locality: theoretical
      _database_code_amcsd 0018750

      CELL PARAMETERS:    5.1140   5.1140   5.4260   90.000   90.000  120.000
      SPACE GROUP: P3_221    
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    122.894
      Density (g/cm3):      4.241
      MAX. ABS. INTENSITY / VOLUME**2:      114.3214517    
      RIR:      8.777
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                20.05         20.95        4.4289    1   0   0         6
                25.97         79.93        3.4310    0   1   1         6
                25.97         20.07        3.4310    1   0   1         6
                35.09         10.18        2.5570    1   1   0         3
                38.93         18.89        2.3134    1   0   2         6
                38.94         12.75        2.3130    1   1   1         6
                40.75         17.69        2.2144    2   0   0         6
                44.17          1.77        2.0503    0   2   1         6
                48.95         10.34        1.8608    1   1   2         6
                50.46          4.11        1.8087    0   0   3         2
                53.41          2.82        1.7155    0   2   2         6
                53.41          2.54        1.7155    2   0   2         6
                54.83          1.72        1.6744    0   1   3         6
                54.84          1.98        1.6739    2   1   0         6
                57.63         11.53        1.5996    2   1   1         6
                57.63          3.62        1.5996    1   2   1         6
                62.94          3.70        1.4766    1   1   3         6
                65.52          9.48        1.4246    1   2   2         6
                65.53          8.23        1.4245    0   3   1         6
                66.78          5.21        1.4008    2   0   3         6
                66.78          2.74        1.4008    0   2   3         6
                72.94          2.60        1.2970    0   1   4         6
                72.94          2.08        1.2970    1   0   4         6
                72.96          4.72        1.2967    3   0   2         6
                74.17          1.25        1.2785    2   2   0         3
                76.56          2.02        1.2444    2   2   1         6
                77.73          2.44        1.2285    2   1   3         6
                77.75          5.05        1.2283    3   1   0         6
                80.08          2.04        1.1983    1   1   4         6
                87.09          1.77        1.1190    1   3   2         6
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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.