Quartz
      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 0018749

      CELL PARAMETERS:    4.9290   4.9290   5.3190   90.000   90.000  120.000
      SPACE GROUP: P3_221    
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    111.912
      Density (g/cm3):      2.674
      MAX. ABS. INTENSITY / VOLUME**2:      33.61081309    
      RIR:      4.092
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                20.81         21.65        4.2686    1   0   0         6
                26.78         74.45        3.3291    0   1   1         6
                26.78         25.55        3.3291    1   0   1         6
                36.46          8.34        2.4645    1   1   0         3
                39.94          1.75        2.2572    0   1   2         6
                39.94          7.62        2.2572    1   0   2         6
                40.33          4.41        2.2361    1   1   1         6
                42.35          6.30        2.1343    2   0   0         6
                45.81          1.13        1.9808    0   2   1         6
                45.81          1.88        1.9808    2   0   1         6
                50.49         10.91        1.8077    1   1   2         6
                55.18          3.28        1.6646    0   2   2         6
                55.18          1.39        1.6646    2   0   2         6
                56.18          1.91        1.6374    0   1   3         6
                59.91          5.21        1.5439    1   2   1         6
                59.91          4.75        1.5439    2   1   1         6
                64.77          1.96        1.4392    1   1   3         6
                67.96          5.09        1.3794    1   2   2         6
                67.96          1.24        1.3794    2   1   2         6
                68.23          5.47        1.3745    0   3   1         6
                68.84          1.11        1.3638    0   2   3         6
                68.84          5.27        1.3638    2   0   3         6
                74.78          2.23        1.2696    1   0   4         6
                75.83          2.47        1.2546    3   0   2         6
                80.49          2.73        1.1933    2   1   3         6
                81.26          1.14        1.1839    3   1   0         6
                82.41          2.11        1.1703    1   1   4         6
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.