Pseudobrookite
Diffraction data computed using the structure from the paper listed below,  along with the cell parameters refined from single crystal data of R140974
      Yang H, Hazen R M
      American Mineralogist 84 (1999) 130-137
      Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with
      different ordering states
      Sample P1400, x(Ti) in M1 = .485, P = 2.16 GPa
      _database_code_amcsd 0002082

      CELL PARAMETERS:   9.7350  9.9170  3.7100   90.000   90.000   90.000
      SPACE GROUP: Bbmm      

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Mg     0.80810   0.25000   0.00000     0.515     0.550
            Ti     0.80810   0.25000   0.00000     0.485     0.550
            Ti     0.13570   0.43670   0.00000     0.757     0.550
            Mg     0.13570   0.43670   0.00000     0.243     0.550
            O      0.23390   0.25000   0.00000     1.000     1.030
            O      0.04720   0.88320   0.00000     1.000     0.820
            O      0.31120   0.93010   0.00000     1.000     0.810

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  8 +/-  9 +/-  3
            MAX. ABS. INTENSITY / VOLUME**2:      21.10034796    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                17.89         15.31        4.9585    0   2   0
                18.23         39.62        4.8675    2   0   0
                20.32          1.82        4.3695    2   1   0
                25.65          6.52        3.4736    2   2   0
                25.70        100.00        3.4668    1   0   1
                27.25          3.26        3.2726    1   1   1
                31.49          5.27        2.8412    1   2   1
                32.75         69.93        2.7346    2   3   0
                36.80         14.35        2.4425    3   0   1
                36.93          5.26        2.4337    4   0   0
                37.60         13.30        2.3924    1   3   1
                40.85         13.01        2.2092    2   4   0
                41.32         16.62        2.1848    4   2   0
                46.21          4.88        1.9644    3   3   1
                46.33         22.77        1.9599    4   3   0
                49.11         33.32        1.8550    0   0   2
                49.63         10.83        1.8368    2   5   0
                52.60          9.35        1.7400    3   4   1
                52.68          1.22        1.7374    0   2   2
                52.81          3.31        1.7334    2   0   2
                53.21          1.12        1.7216    1   5   1
                53.98          1.32        1.6985    5   1   1
                55.60         12.03        1.6528    0   6   0
                56.22          1.09        1.6363    2   2   2
                56.51         15.31        1.6284    5   2   1
                56.74          1.67        1.6225    6   0   0
                57.56          3.81        1.6012    6   1   0
                59.02          3.23        1.5651    2   6   0
                60.09          7.56        1.5397    3   5   1
                60.29         18.98        1.5351    2   3   2
                60.57         18.28        1.5286    5   3   1
                62.23          4.40        1.4919    1   6   1
                63.01          2.13        1.4753    4   0   2
                63.92          1.84        1.4565    6   3   0
                65.73          4.16        1.4206    2   4   2
                66.00          2.47        1.4154    5   4   1
                66.07          6.21        1.4141    4   2   2
                68.55          4.09        1.3689    3   6   1
                69.05          2.25        1.3603    2   7   0
                69.81          9.42        1.3472    4   3   2
                72.01          2.20        1.3114    1   7   1
                72.41          5.11        1.3052    2   5   2
                72.60          1.12        1.3022    7   0   1
                73.32          4.71        1.2911    7   1   1
                75.48          6.22        1.2595    7   2   1
                75.74          1.67        1.2558    6   5   0
                77.32          6.87        1.2340    0   6   2
                77.86          2.45        1.2268    1   0   3
                78.28          1.07        1.2213    6   0   2
                78.99          2.50        1.2121    6   1   2
                80.25          1.99        1.1962    2   6   2
                81.43          1.12        1.1818    8   2   0
                83.69          1.32        1.1556    3   0   3
                84.18          1.61        1.1502    1   3   3
                84.59          1.37        1.1456    6   3   2
                88.52          2.52        1.1046    4   8   0
                89.30          1.93        1.0969    2   7   2
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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.