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 425 degrees C
      _database_code_amcsd 0005162

      CELL PARAMETERS:    9.1910   5.4630   5.1570   90.000   90.000   90.000
      SPACE GROUP: Pbca      
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    258.935
      Density (g/cm3):      4.097
      MAX. ABS. INTENSITY / VOLUME**2:      20.78413208    
      RIR:      1.652
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                25.33        100.00        3.5167    2   1   0         4
                25.66         74.80        3.4722    1   1   1         8
                30.77         93.58        2.9055    2   1   1         8
                32.79          3.93        2.7315    0   2   0         2
                36.18         23.63        2.4827    1   0   2         4
                37.25         17.55        2.4138    0   2   1         4
                37.92          7.21        2.3726    3   1   1         8
                38.33          1.95        2.3480    2   2   0         4
                38.56          2.14        2.3346    1   2   1         8
                39.21          3.99        2.2977    4   0   0         2
                39.89          3.95        2.2602    1   1   2         8
                40.10         15.04        2.2487    2   0   2         4
                42.29         15.03        2.1370    2   2   1         8
                46.01         19.43        1.9728    3   0   2         4
                46.34          1.16        1.9592    4   1   1         8
                47.98         31.70        1.8960    3   2   1         8
                49.10         20.09        1.8555    3   1   2         8
                49.62          2.42        1.8372    1   2   2         8
                52.01          3.03        1.7584    4   2   0         4
                54.18         21.28        1.6929    2   3   0         4
                54.35          2.13        1.6879    1   3   1         8
                55.19         31.45        1.6643    4   2   1         8
                55.69          5.29        1.6506    5   1   1         8
                57.05         14.75        1.6142    1   1   3         8
                57.28          1.30        1.6085    2   3   1         8
                57.64          1.82        1.5993    3   2   2         8
                59.89          6.06        1.5444    2   1   3         8
                62.00         10.99        1.4968    5   0   2         4
                63.02          1.58        1.4749    6   1   0         4
                63.34          7.25        1.4684    1   3   2         8
                63.63         10.27        1.4624    5   2   1         8
                64.00          6.33        1.4549    0   2   3         4
                64.45          3.74        1.4457    3   1   3         8
                64.56          6.63        1.4436    5   1   2         8
                64.89         13.65        1.4370    1   2   3         8
                65.86          7.77        1.4181    6   1   1         8
                68.73          6.88        1.3657    0   4   0         2
                70.36          8.38        1.3381    3   3   2         8
                71.45          2.77        1.3202    0   4   1         4
                71.66          1.04        1.3170    6   0   2         4
                71.83          1.97        1.3142    3   2   3         8
                73.45          2.12        1.2893    0   0   4         2
                74.29          1.06        1.2768    1   0   4         4
                76.94          4.43        1.2392    7   1   1         8
                76.98          1.98        1.2386    1   3   3         8
                78.96          1.06        1.2124    3   4   1         8
                79.12          2.82        1.2105    2   1   4         8
                80.22          1.93        1.1966    1   4   2         8
                82.24          2.57        1.1722    6   3   0         4
                82.43          1.42        1.1700    7   0   2         4
                82.66          1.07        1.1673    2   4   2         8
                83.20          1.25        1.1612    3   1   4         8
                83.63          4.01        1.1563    5   3   2         8
                84.29          3.74        1.1489    8   0   0         2
                84.73          1.17        1.1441    7   1   2         8
                85.03          1.25        1.1408    5   2   3         8
                86.57          4.23        1.1244    4   0   4         4
                86.71          2.54        1.1229    3   4   2         8
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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.