Anatase
      Wyckoff R W G
      Crystal Structures 1 (1963) 239-444
      Second edition. Interscience Publishers, New York, New York
      _database_code_amcsd 0011765

      CELL PARAMETERS:    3.7850   3.7850   9.5140   90.000   90.000   90.000
      SPACE GROUP: I4_1/amd  
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    136.300
      Density (g/cm3):      3.891
      MAX. ABS. INTENSITY / VOLUME**2:      59.42539459    
      RIR:      4.972
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                25.32        100.00        3.5169    1   0   1         8
                36.98          5.77        2.4309    1   0   3         8
                37.82         18.96        2.3785    0   0   4         2
                38.60          7.10        2.3326    1   1   2         8
                48.08         26.69        1.8925    2   0   0         4
                53.93         16.94        1.7001    1   0   5         8
                55.11         16.57        1.6665    2   1   1        16
                62.16          2.60        1.4933    2   1   3        16
                62.74         12.17        1.4809    2   0   4         8
                68.82          5.77        1.3642    1   1   6         8
                70.35          5.98        1.3382    2   2   0         4
                75.12          9.15        1.2647    2   1   5        16
                76.10          2.45        1.2507    3   0   1         8
                82.75          4.37        1.1663    2   2   4         8
                83.24          1.73        1.1607    3   1   2        16
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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.