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 280 degrees C
      _database_code_amcsd 0005161

      CELL PARAMETERS:    9.1750   5.4590   5.1490   90.000   90.000   90.000
      SPACE GROUP: Pbca      
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    257.895
      Density (g/cm3):      4.113
      MAX. ABS. INTENSITY / VOLUME**2:      20.64055143    
      RIR:      1.634
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                25.36        100.00        3.5121    2   1   0         4
                25.69         74.78        3.4678    1   1   1         8
                30.82         97.13        2.9014    2   1   1         8
                32.81          4.57        2.7295    0   2   0         2
                36.24         24.55        2.4788    1   0   2         4
                37.29         20.73        2.4116    0   2   1         4
                37.98          8.14        2.3690    3   1   1         8
                38.37          1.72        2.3457    2   2   0         4
                38.60          2.08        2.3324    1   2   1         8
                39.28          5.15        2.2938    4   0   0         2
                39.95          5.20        2.2570    1   1   2         8
                40.17         13.58        2.2451    2   0   2         4
                42.34         12.20        2.1346    2   2   1         8
                46.09         20.42        1.9696    3   0   2         4
                46.42          1.07        1.9561    4   1   1         8
                48.05         32.37        1.8937    3   2   1         8
                49.18         18.24        1.8527    3   1   2         8
                49.68          2.65        1.8350    1   2   2         8
                52.08          2.97        1.7560    4   2   0         4
                53.51          1.35        1.7126    4   0   2         4
                54.23         22.28        1.6915    2   3   0         4
                54.40          1.64        1.6864    1   3   1         8
                55.27         28.38        1.6620    4   2   1         8
                55.79          6.01        1.6479    5   1   1         8
                57.15         13.59        1.6119    1   1   3         8
                57.34          1.36        1.6070    2   3   1         8
                57.72          1.92        1.5972    3   2   2         8
                59.99          6.30        1.5420    2   1   3         8
                62.12         11.11        1.4943    5   0   2         4
                63.14          1.86        1.4725    6   1   0         4
                63.41          8.27        1.4669    1   3   2         8
                63.73         11.20        1.4603    5   2   1         8
                64.09          6.13        1.4530    0   2   3         4
                64.56          4.99        1.4435    3   1   3         8
                64.67          5.74        1.4413    5   1   2         8
                64.99         14.31        1.4351    1   2   3         8
                65.99          7.79        1.4157    6   1   1         8
                68.79          6.38        1.3648    0   4   0         2
                70.45          8.47        1.3366    3   3   2         8
                71.52          2.58        1.3192    0   4   1         4
                71.95          1.85        1.3124    3   2   3         8
                72.05          1.00        1.3107    5   2   2         8
                73.58          2.20        1.2873    0   0   4         2
                74.42          1.18        1.2748    1   0   4         4
                77.09          1.23        1.2372    1   3   3         8
                77.09          4.47        1.2372    7   1   1         8
                77.82          1.02        1.2274    4   2   3         8
                79.05          1.21        1.2113    3   4   1         8
                79.26          2.98        1.2086    2   1   4         8
                80.31          2.06        1.1955    1   4   2         8
                82.37          2.89        1.1707    6   3   0         4
                82.60          1.33        1.1680    7   0   2         4
                83.76          4.02        1.1548    5   3   2         8
                84.47          3.48        1.1469    8   0   0         2
                84.77          1.23        1.1436    4   4   1         8
                84.90          1.70        1.1422    7   1   2         8
                85.18          1.57        1.1391    5   2   3         8
                86.75          4.69        1.1226    4   0   4         4
                86.82          2.82        1.1218    3   4   2         8
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.