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 = 740 deg C
      _database_code_amcsd 0000524

      CELL PARAMETERS:    7.0830   8.7530   6.5960   90.000  113.550   90.000
      SPACE GROUP: A2/a      
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    374.876
      Density (g/cm3):      3.473
      MAX. ABS. INTENSITY / VOLUME**2:      15.47300656    
      RIR:      1.451
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                17.83         23.79        4.9750    0   1   1         4
                20.29          1.26        4.3765    0   2   0         2
                25.90          1.11        3.4406    1   1   1         4
                27.43        100.00        3.2517   -2   1   1         4
                27.47          3.12        3.2465    2   0   0         2
                29.55         72.62        3.0233    0   0   2         2
                31.36          6.01        2.8529   -2   0   2         2
                34.10          1.50        2.6295   -1   2   2         4
                34.12         60.18        2.6277    0   3   1         4
                34.39         44.60        2.6074    2   2   0         4
                37.64          3.89        2.3899   -2   2   2         4
                37.74          4.24        2.3837    2   1   1         4
                39.15         16.43        2.3009    1   3   1         4
                39.57          9.79        2.2773   -3   1   1         4
                40.23          3.79        2.2417   -2   3   1         4
                41.26          2.39        2.1883    0   4   0         2
                42.58          8.52        2.1230   -1   1   3         4
                43.00          3.77        2.1033    1   2   2         4
                43.59         15.99        2.0763   -2   1   3         4
                43.65          8.76        2.0737    1   4   0         4
                45.63          2.43        1.9882   -3   2   2         4
                46.22          6.91        1.9641    0   1   3         4
                48.67          2.69        1.8709    2   0   2         2
                50.28          8.74        1.8145    2   4   0         4
                51.27          1.04        1.7819    3   1   1         4
                51.56          1.49        1.7726    0   4   2         4
                52.24         11.35        1.7512   -4   0   2         2
                52.72         11.56        1.7363   -2   4   2         4
                53.12          2.24        1.7242   -2   3   3         4
                53.25         16.85        1.7203    2   2   2         4
                53.30          3.51        1.7188   -4   1   1         4
                54.86          1.02        1.6736   -1   5   1         4
                55.40         20.98        1.6583    0   3   3         4
                56.71          3.74        1.6233    4   0   0         2
                58.99         11.80        1.5659   -2   5   1         4
                60.10          6.01        1.5396   -2   2   4         4
                61.33          4.29        1.5117    0   0   4         2
                61.74         14.94        1.5026   -4   3   1         4
                62.16          1.04        1.4934    1   3   3         4
                63.80          1.84        1.4588    0   6   0         2
                64.28          3.85        1.4491    2   1   3         4
                65.26          6.68        1.4297    2   5   1         4
                65.43          9.54        1.4264   -4   0   4         2
                65.66          1.85        1.4220    2   4   2         4
                65.98          6.05        1.4158   -4   3   3         4
                69.39          7.68        1.3543   -2   5   3         4
                71.80          2.33        1.3148   -2   4   4         4
                71.85          5.25        1.3139    0   6   2         4
                73.74          6.41        1.2849    4   3   1         4
                76.98          3.26        1.2387    4   0   2         2
                83.60          1.49        1.1566    2   2   4         4
                85.39          2.29        1.1369   -4   3   5         4
                86.47          1.13        1.1255    2   5   3         4
                86.91          1.06        1.1209   -4  -6   2         4
                87.27          3.34        1.1172    0   3   5         4
                87.36          2.16        1.1163    2   7   1         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.