Rutile
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from the powder pattern for R060745
      Meagher E P, Lager G A
      The Canadian Mineralogist 17 (1979) 77-85
      Polyhedral thermal expansion in the TiO2 polymorphs: Refinement
      of the crystal structure of rutile and brookite at high temperature
      Sample at 300 degrees C

      CELL PARAMETERS:   4.603000   4.603000   2.966000   90.00000   90.00000   90.00000
      SPACE GROUP: P4_2/mnm
      X-RAY WAVELENGTH:     1.541838
               2-THETA      INTENSITY    D-SPACING   H   K   L
                27.39        100.00        3.2622    1   1   0
                35.97         45.00        2.5001    1   0   1
                39.09          6.47        2.3067    2   0   0
                41.11         18.38        2.1981    1   1   1
                43.92          6.43        2.0632    2   1   0
                54.12         52.79        1.6953    2   1   1
                56.44         15.73        1.6311    2   2   0
                62.46          7.29        1.4874    0   0   2
                63.82          7.29        1.4589    3   1   0
                68.73         17.89        1.3661    3   0   1
                69.46          8.72        1.3533    1   1   2
                72.12          1.03        1.3099    3   1   1
                76.16          1.78        1.2500    2   0   2
                79.43          1.03        1.2065    2   1   2
                81.97          3.52        1.1754    3   2   1
                83.88          2.47        1.1534    4   0   0
                89.07          5.89        1.0990    2   2   2
                89.07          5.89        1.0990    2   2   2
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.