Brookite
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from the powder pattern of R050363
      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

      CELL PARAMETERS:   9.189630   5.458004   5.148670   90.00000   90.00000   90.00000
      SPACE GROUP: Pbca
      X-RAY WAVELENGTH:     1.541838
               2-THETA      INTENSITY    D-SPACING   H   K   L
                25.38        100.00        3.5151    2   1   0
                25.73         74.78        3.4683    1   1   1
                30.84         97.13        2.9030    2   1   1
                32.85          4.57        2.7290    0   2   0
                36.27         24.55        2.4789    1   0   2
                37.32         20.73        2.4112    0   2   1
                37.98          8.14        2.3711    3   1   1
                38.39          1.72        2.3464    2   2   0
                38.63          2.08        2.3323    1   2   1
                39.24          5.15        2.2974    4   0   0
                39.97          5.20        2.2570    1   1   2
                40.18         13.58        2.2459    2   0   2
                42.36         12.20        2.1351    2   2   1
                46.08         20.42        1.9708    3   0   2
                46.39          1.07        1.9583    4   1   1
                48.04         32.37        1.8947    3   2   1
                49.17         18.24        1.8536    3   1   2
                49.71          2.65        1.8349    1   2   2
                52.05          2.97        1.7575    4   2   0
                53.47          1.35        1.7141    4   0   2
                54.24         22.28        1.6916    2   3   0
                54.43          1.64        1.6863    1   3   1
                55.24         28.38        1.6633    4   2   1
                55.72          6.01        1.6500    5   1   1
                57.16         13.59        1.6118    1   1   3
                57.35          1.36        1.6070    2   3   1
                57.71          1.92        1.5977    3   2   2
                59.99          6.30        1.5422    2   1   3
                62.05         11.11        1.4958    5   0   2
                63.04          1.86        1.4746    6   1   0
                63.42          8.27        1.4667    1   3   2
                63.67         11.20        1.4617    5   2   1
                64.10          6.13        1.4528    0   2   3
                64.55          4.99        1.4439    3   1   3
                64.61          5.74        1.4426    5   1   2
                64.99         14.31        1.4350    1   2   3
                65.89          7.79        1.4176    6   1   1
                68.80          6.38        1.3645    0   4   0
                70.43          8.47        1.3368    3   3   2
                71.53          2.58        1.3190    0   4   1
                71.93          1.85        1.3127    3   2   3
                71.99          1.00        1.3117    5   2   2
                73.58          2.20        1.2872    0   0   4
                74.42          1.18        1.2747    1   0   4
                77.09          1.23        1.2371    1   3   3
                76.95          4.47        1.2389    7   1   1
                77.77          1.02        1.2279    4   2   3
                79.03          1.21        1.2114    3   4   1
                79.24          2.98        1.2087    2   1   4
                80.30          2.06        1.1954    1   4   2
                82.27          2.89        1.1717    6   3   0
                82.46          1.33        1.1695    7   0   2
                83.68          4.02        1.1554    5   3   2
                84.29          3.48        1.1487    8   0   0
                84.73          1.23        1.1439    4   4   1
                84.75          1.70        1.1436    7   1   2
                85.10          1.57        1.1397    5   2   3
                86.69          4.69        1.1229    4   0   4
                86.79          2.82        1.1219    3   4   2
                86.79          2.82        1.1219    3   4   2
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.