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 = 515 deg C
      _database_code_amcsd 0000523

      CELL PARAMETERS:    7.0770   8.7430   6.5840   90.000  113.680   90.000
      SPACE GROUP: A2/a      
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    373.080
      Density (g/cm3):      3.489
      MAX. ABS. INTENSITY / VOLUME**2:      15.76195198    
      RIR:      1.471
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                17.87         23.39        4.9637    0   1   1         4
                20.31          1.26        4.3715    0   2   0         2
                25.97          1.04        3.4310    1   1   1         4
                27.45        100.00        3.2495   -2   1   1         4
                27.52          3.10        3.2406    2   0   0         2
                29.63         72.12        3.0148    0   0   2         2
                31.38          6.19        2.8510   -2   0   2         2
                34.15          1.41        2.6257   -1   2   2         4
                34.17         60.80        2.6239    0   3   1         4
                34.45         45.11        2.6033    2   2   0         4
                37.67          3.86        2.3880   -2   2   2         4
                37.84          4.26        2.3774    2   1   1         4
                39.23         17.00        2.2965    1   3   1         4
                39.61         10.22        2.2752   -3   1   1         4
                40.27          3.95        2.2396   -2   3   1         4
                41.31          2.37        2.1858    0   4   0         2
                42.68          8.90        2.1187   -1   1   3         4
                43.12          3.95        2.0976    1   2   2         4
                43.65         16.32        2.0738   -2   1   3         4
                43.71          9.05        2.0711    1   4   0         4
                45.66          2.34        1.9870   -3   2   2         4
                46.35          6.90        1.9588    0   1   3         4
                48.83          2.86        1.8651    2   0   2         2
                50.36          9.06        1.8121    2   4   0         4
                51.41          1.11        1.7775    3   1   1         4
                51.65          1.44        1.7696    0   4   2         4
                52.27         11.72        1.7501   -4   0   2         2
                52.77         12.06        1.7346   -2   4   2         4
                53.19          2.38        1.7221   -2   3   3         4
                53.36          3.60        1.7168   -4   1   1         4
                53.41         17.20        1.7155    2   2   2         4
                54.92          1.17        1.6718   -1   5   1         4
                55.54         21.81        1.6546    0   3   3         4
                56.82          3.94        1.6203    4   0   0         2
                59.05         12.28        1.5643   -2   5   1         4
                60.20          6.31        1.5372   -2   2   4         4
                61.52          4.50        1.5074    0   0   4         2
                61.81         15.74        1.5009   -4   3   1         4
                62.34          1.07        1.4895    1   3   3         4
                63.88          1.93        1.4572    0   6   0         2
                64.51          4.08        1.4446    2   1   3         4
                65.39          6.99        1.4273    2   5   1         4
                65.48         10.19        1.4255   -4   0   4         2
                65.83          1.96        1.4188    2   4   2         4
                66.03          6.42        1.4149   -4   3   3         4
                69.49          8.10        1.3527   -2   5   3         4
                71.92          2.50        1.3129   -2   4   4         4
                71.98          5.64        1.3120    0   6   2         4
                73.93          6.83        1.2821    4   3   1         4
                77.23          3.53        1.2353    4   0   2         2
                81.11          1.02        1.1857   -3   3   5         4
                83.91          1.59        1.1531    2   2   4         4
                85.49          2.54        1.1358   -4   3   5         4
                86.72          1.22        1.1228    2   5   3         4
                87.01          1.18        1.1198   -4  -6   2         4
                87.52          2.43        1.1146    2   7   1         4
                87.55          3.66        1.1143    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.