CO2
      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, cristobalite structure
      _database_code_amcsd 0018756

      CELL PARAMETERS:    4.0330   4.0330   5.0970   90.000   90.000   90.000
      SPACE GROUP: P4_12_12  
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:     82.903
      Density (g/cm3):      3.526
      MAX. ABS. INTENSITY / VOLUME**2:      13.33648259    
      RIR:      1.232
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                28.22        100.00        3.1627    1   0   1         8
                31.37          6.66        2.8518    1   1   0         4
                36.09         18.31        2.4887    1   1   1         8
                41.93         37.57        2.1544    1   0   2         8
                44.95         48.23        2.0165    2   0   0         4
                47.87         27.29        1.9003    1   1   2         8
                50.61          9.11        1.8036    2   1   0         8
                53.92          2.67        1.7003    2   1   1         8
                63.15          7.89        1.4722    2   1   2         8
                63.76          6.77        1.4596    1   1   3         8
                65.46          3.46        1.4259    2   2   0         4
                68.31          1.72        1.3732    2   2   1         8
                72.75          2.42        1.2999    3   0   1         8
                72.79          1.57        1.2993    2   0   3         8
                74.38          2.15        1.2753    3   1   0         8
                74.46          3.67        1.2743    0   0   4         2
                77.09          2.87        1.2372    3   1   1         8
                77.12          1.60        1.2367    2   1   3         8
                80.83         11.17        1.1890    3   0   2         8
                85.05          1.51        1.1405    3   1   2         8
                87.14          1.04        1.1186    3   2   0         8
                89.76          1.47        1.0926    3   2   1         8
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.