Titanite
      Taylor M, Brown G E
      American Mineralogist 61 (1976) 435-447
      High-temperature structural study of the P2_1/a - A2/a phase transition in
      synthetic titanite, CaTiSiO5
      T = 165 deg C
      _database_code_amcsd 0000521

      CELL PARAMETERS:    7.0670   8.7260   6.5680   90.000  113.770   90.000
      SPACE GROUP: P2_1/a    
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    370.668
      Density (g/cm3):      3.512
      MAX. ABS. INTENSITY / VOLUME**2:      16.15316237    
      RIR:      1.498
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                17.92         23.24        4.9501    0   1   1         4
                20.35          1.35        4.3630    0   2   0         2
                27.49        100.00        3.2450   -2   1   1         4
                27.58          3.22        3.2338    2   0   0         2
                29.73         72.07        3.0054    0   0   2         2
                31.42          6.39        2.8468   -2   0   2         2
                34.22          1.33        2.6200   -1   2   2         4
                34.25         62.25        2.6182    0   3   1         4
                34.52         45.15        2.5980    2   2   0         4
                37.73          3.78        2.3842   -2   2   2         4
                37.95          4.25        2.3708    2   1   1         4
                39.33         17.36        2.2910    1   3   1         4
                39.67         10.64        2.2718   -3   1   1         4
                40.34          4.34        2.2359   -2   3   1         4
                41.39          2.35        2.1815    0   4   0         2
                42.79          9.52        2.1132   -1   1   3         4
                43.26          4.25        2.0914    1   2   2         4
                43.74         16.64        2.0697   -2   1   3         4
                43.80          9.81        2.0671    1   4   0         4
                45.73          2.23        1.9842   -3   2   2         4
                46.50          6.97        1.9528    0   1   3         4
                48.42          1.16        1.8799    2   3   1         4
                48.99          3.15        1.8592    2   0   2         2
                50.46          9.52        1.8085    2   4   0         4
                51.55          1.24        1.7728    3   1   1         4
                51.78          1.40        1.7654    0   4   2         4
                52.34         12.13        1.7479   -4   0   2         2
                52.87         12.58        1.7316   -2   4   2         4
                53.30          2.65        1.7188   -2   3   3         4
                53.46          3.53        1.7140   -4   1   1         4
                53.58         17.88        1.7104    2   2   2         4
                55.04          1.32        1.6686   -1   5   1         4
                55.71         23.62        1.6500    0   3   3         4
                56.95          4.08        1.6169    4   0   0         2
                59.17         13.04        1.5614   -2   5   1         4
                60.35          6.82        1.5337   -2   2   4         4
                61.73          4.96        1.5027    0   0   4         2
                61.93         16.74        1.4983   -4   3   1         4
                62.54          1.11        1.4851    1   3   3         4
                64.02          2.21        1.4543    0   6   0         2
                64.74          4.47        1.4400    2   1   3         4
                65.55          7.45        1.4241    2   5   1         4
                65.59         10.94        1.4234   -4   0   4         2
                66.02          2.19        1.4150    2   4   2         4
                66.14          6.78        1.4128   -4   3   3         4
                69.64          8.82        1.3501   -2   5   3         4
                72.10          2.79        1.3100   -2   4   4         4
                72.16          6.43        1.3091    0   6   2         4
                72.86          1.04        1.2982   -2   1   5         4
                74.14          7.51        1.2790    4   3   1         4
                77.49          3.95        1.2317    4   0   2         2
                78.55          1.06        1.2178   -3   6   2         4
                81.31          1.13        1.1832   -3   3   5         4
                84.24          1.80        1.1494    2   2   4         4
                85.68          2.91        1.1338   -4   3   5         4
                87.01          1.40        1.1198    2   5   3         4
                87.19          1.36        1.1179   -4  -6   2         4
                87.75          2.90        1.1123    2   7   1         4
                87.88          4.37        1.1110    0   3   5         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.