SiO2
      Boisen M B, Gibbs G V, Bukowinski M S T
      Physics and Chemistry of Minerals 21 (1994) 269-284
      Framework silica structures generated using simulated annealing
      with a potential energy function based on an H6Si2O7 molecule
      Sample: 3
      _database_code_amcsd 0007868

      CELL PARAMETERS:    5.0482   6.6568   4.9371   90.000   90.000   90.000
      SPACE GROUP: Pna2_1    
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    165.911
      Density (g/cm3):      2.405
      MAX. ABS. INTENSITY / VOLUME**2:      17.68450615    
      RIR:      2.394
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                22.10        100.00        4.0224    1   1   0         4
                22.42         98.08        3.9655    0   1   1         2
                28.63          9.52        3.1184    1   1   1         4
                32.21         15.40        2.7788    1   2   0         4
                35.57         15.54        2.5241    2   0   0         2
                36.40         17.37        2.4685    0   0   2         1
                37.13         22.68        2.4216    1   2   1         4
                40.12          3.24        2.2474    2   0   1         2
                42.45          5.14        2.1293    2   1   1         4
                42.99          3.91        2.1039    1   1   2         4
                44.78          4.68        2.0239    0   3   1         2
                45.08          1.90        2.0112    2   2   0         4
                45.76          1.71        1.9827    0   2   2         2
                48.46          5.98        1.8786    1   3   1         4
                48.90          1.21        1.8626    2   2   1         4
                49.38          4.05        1.8455    1   2   2         4
                51.80          1.70        1.7648    2   0   2         2
                53.73          1.76        1.7059    2   1   2         4
                55.11          3.53        1.6665    2   3   0         4
                55.19          3.07        1.6642    0   4   0         2
                56.40          4.44        1.6314    3   1   0         4
                57.70          4.83        1.5976    0   1   3         2
                58.45          2.90        1.5790    2   3   1         4
                58.88          4.61        1.5686    1   3   2         4
                59.69          2.94        1.5490    3   1   1         4
                61.78          4.96        1.5017    3   2   0         4
                64.90          3.11        1.4367    3   2   1         4
                65.97         10.22        1.4160    1   2   3         4
                67.40          2.20        1.3894    2   4   0         4
                67.85          1.42        1.3812    2   3   2         4
                67.93          2.62        1.3799    0   4   2         2
                68.00          2.11        1.3786    2   0   3         2
                69.00          1.09        1.3610    3   1   2         4
                69.65          2.81        1.3499    2   1   3         4
                70.20          1.06        1.3408    3   3   0         4
                70.40          2.01        1.3374    2   4   1         4
                71.35          2.97        1.3218    0   3   3         2
                73.14          2.54        1.2939    3   3   1         4
                73.57          2.81        1.2873    1   5   0         4
                73.70          2.33        1.2854    0   5   1         2
                73.87          2.93        1.2830    3   2   2         4
                76.88          1.86        1.2400    4   1   0         4
                78.17          2.02        1.2227    4   0   1         2
                79.09          2.14        1.2108    2   4   2         4
                81.59          2.03        1.1800    1   1   4         4
                81.73          1.32        1.1782    3   3   2         4
                82.35          2.58        1.1710    2   3   3         4
                83.42          1.81        1.1586    3   1   3         4
                84.13          1.17        1.1507    3   4   1         4
                84.60          1.49        1.1455    2   5   1         4
                84.97          1.58        1.1415    1   5   2         4
                88.05          1.85        1.1093    3   2   3         4
                88.10          1.10        1.1088    2   0   4         2
                88.17          1.48        1.1080    4   1   2         4
                89.63          1.22        1.0937    2   1   4         4
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.