Brookite
      Meagher E P, Lager G A
      The Canadian Mineralogist 17 (1979) 77-85
      Polyhedral thermal expansion in the TiO2 polymorphs: Refinement
      of the crystal structures of rutile and brookite at high temperature
      Sample at 25 degrees C
      _database_code_amcsd 0005160

      CELL PARAMETERS:    9.1740   5.4490   5.1380   90.000   90.000   90.000
      SPACE GROUP: Pbca      
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    256.844
      Density (g/cm3):      4.130
      MAX. ABS. INTENSITY / VOLUME**2:      20.72436701    
      RIR:      1.634
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                25.38        100.00        3.5092    2   1   0         4
                25.73         78.87        3.4619    1   1   1         8
                30.86         99.94        2.8978    2   1   1         8
                32.87          4.95        2.7245    0   2   0         2
                36.31         24.83        2.4738    1   0   2         4
                37.36         18.19        2.4070    0   2   1         4
                38.02          7.92        2.3669    3   1   1         8
                38.43          2.18        2.3425    2   2   0         4
                38.67          2.15        2.3282    1   2   1         8
                39.28          4.21        2.2935    4   0   0         2
                40.03          3.84        2.2526    1   1   2         8
                40.23         15.99        2.2414    2   0   2         4
                42.41         16.24        2.1314    2   2   1         8
                46.15         21.24        1.9670    3   0   2         4
                46.45          1.25        1.9549    4   1   1         8
                48.11         34.28        1.8914    3   2   1         8
                49.25         21.56        1.8502    3   1   2         8
                49.79          3.06        1.8315    1   2   2         8
                52.13          3.79        1.7546    4   2   0         4
                54.32         24.18        1.6888    2   3   0         4
                54.51          2.08        1.6834    1   3   1         8
                55.33         34.76        1.6604    4   2   1         8
                55.82          5.98        1.6471    5   1   1         8
                57.27         16.78        1.6086    1   1   3         8
                57.44          1.10        1.6043    2   3   1         8
                57.81          2.34        1.5948    3   2   2         8
                60.12          6.98        1.5391    2   1   3         8
                62.17         12.60        1.4931    5   0   2         4
                63.16          1.75        1.4721    6   1   0         4
                63.55          8.52        1.4641    1   3   2         8
                63.78         11.76        1.4592    5   2   1         8
                64.24          7.21        1.4500    0   2   3         4
                64.68          4.37        1.4411    3   1   3         8
                64.74          7.55        1.4400    5   1   2         8
                65.13         15.49        1.4322    1   2   3         8
                66.01          9.16        1.4152    6   1   1         8
                68.93          7.70        1.3622    0   4   0         2
                70.58         10.11        1.3344    3   3   2         8
                71.67          3.63        1.3168    0   4   1         4
                71.85          1.25        1.3139    6   0   2         4
                72.09          2.27        1.3102    3   2   3         8
                72.14          1.17        1.3094    5   2   2         8
                73.76          2.55        1.2845    0   0   4         2
                74.61          1.29        1.2721    1   0   4         4
                77.12          5.47        1.2368    7   1   1         8
                77.27          2.19        1.2347    1   3   3         8
                79.20          1.46        1.2094    3   4   1         8
                79.45          3.33        1.2062    2   1   4         8
                80.49          2.14        1.1933    1   4   2         8
                82.46          3.29        1.1697    6   3   0         4
                82.65          1.75        1.1674    7   0   2         4
                82.94          1.33        1.1641    2   4   2         8
                83.54          1.55        1.1573    3   1   4         8
                83.88          5.11        1.1534    5   3   2         8
                84.48          4.75        1.1467    8   0   0         2
                84.92          1.12        1.1419    4   4   1         8
                84.96          1.39        1.1415    7   1   2         8
                85.32          1.54        1.1376    5   2   3         8
                86.93          5.31        1.1207    4   0   4         4
                87.00          3.01        1.1199    3   4   2         8
                87.35          1.01        1.1164    6   1   3         8
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.