Titanite
      Troitzsch U, Ellis D J, Thompson J, Fitz-Gerald J
      European Journal of Mineralogy 11 (1999) 955-965
      Crystal structural changes in titanite along the join TiO-AlF
      Sample: AlF100
      _database_code_amcsd 0006806

      CELL PARAMETERS:    6.9157   8.5076   6.4391   90.000  114.683   90.000
      SPACE GROUP: A2/a      
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    344.236
      Density (g/cm3):      3.437
      MAX. ABS. INTENSITY / VOLUME**2:      10.95053743    
      RIR:      1.037
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                18.40          4.87        4.8208    0   1   1         4
                28.06        100.00        3.1799   -2   1   1         4
                28.41         19.50        3.1419    2   0   0         2
                30.56         86.87        2.9254    0   0   2         2
                31.93         26.11        2.8029   -2   0   2         2
                34.98          1.73        2.5649   -1   2   2         4
                35.17         55.62        2.5519    0   3   1         4
                35.52         31.59        2.5273    2   2   0         4
                37.31          5.93        2.4104    0   2   2         4
                40.50         30.60        2.2272    1   3   1         4
                40.63         16.99        2.2206   -3   1   1         4
                41.32         19.95        2.1852   -2   3   1         4
                43.78         15.72        2.0677   -1   1   3         4
                44.55         11.71        2.0339   -2   1   3         4
                44.66          8.22        2.0291    1   2   2         4
                45.00         17.82        2.0146    1   4   0         4
                46.65          4.50        1.9472   -3   2   2         4
                47.85          5.09        1.9009    0   1   3         4
                49.98          6.78        1.8249    2   3   1         4
                50.75          8.75        1.7989    2   0   2         2
                51.91          8.30        1.7613    2   4   0         4
                53.35          3.37        1.7172    3   1   1         4
                53.45         17.20        1.7142   -4   0   2         2
                53.80          3.65        1.7039   -1   3   3         4
                54.13         10.72        1.6943   -2   4   2         4
                54.46         10.87        1.6849   -2   3   3         4
                54.88          2.37        1.6728   -4   1   1         4
                55.46         15.55        1.6568    2   2   2         4
                56.52          2.55        1.6282   -1   5   1         4
                57.34         25.17        1.6069    0   3   3         4
                58.78          3.88        1.5710    4   0   0         2
                60.70          1.01        1.5258   -3   4   2         4
                60.77         13.50        1.5241   -2   5   1         4
                61.68          5.46        1.5037   -2   2   4         4
                62.20          1.38        1.4924    3   4   0         4
                62.25          2.11        1.4913    3   3   1         4
                63.61          5.92        1.4627    0   0   4         2
                63.65         19.43        1.4619   -4   3   1         4
                64.62          2.76        1.4423    1   3   3         4
                65.87          1.90        1.4179    0   6   0         2
                66.74         14.39        1.4015   -4   0   4         2
                67.13          3.04        1.3944    2   1   3         4
                67.54          6.58        1.3869   -4   3   3         4
                67.65          7.60        1.3850    2   5   1         4
                68.29          1.91        1.3735    2   4   2         4
                71.43         10.16        1.3207   -2   5   3         4
                72.91          1.96        1.2974   -1   6   2         4
                73.90          2.36        1.2824   -2   4   4         4
                73.92          1.62        1.2821    0   5   3         4
                74.34          6.31        1.2760    0   6   2         4
                76.83          9.20        1.2407    4   3   1         4
                78.47          1.99        1.2189   -5   3   1         4
                79.57          1.82        1.2048   -4   5   1         4
                80.59          4.27        1.1920    4   0   2         2
                80.74          2.60        1.1903   -3   6   2         4
                82.31          1.36        1.1714   -2   3   5         4
                83.21          2.37        1.1610   -3   3   5         4
                83.80          2.87        1.1544    2   0   4         2
                87.56          2.94        1.1142   -4   3   5         4
                87.57          1.45        1.1141    2   2   4         4
                89.75          1.09        1.0926   -4  -6   2         4
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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.