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 = 25 deg C
      _database_code_amcsd 0000520

      CELL PARAMETERS:    7.0680   8.7140   6.5620   90.000  113.820   90.000
      SPACE GROUP: P2_1/a    
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    369.731
      Density (g/cm3):      3.521
      MAX. ABS. INTENSITY / VOLUME**2:      16.29158875    
      RIR:      1.507
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                17.94         22.83        4.9435    0   1   1         4
                20.38          1.31        4.3570    0   2   0         2
                27.49        100.00        3.2449   -2   1   1         4
                27.59          3.19        3.2330    2   0   0         2
                29.77         72.22        3.0015    0   0   2         2
                31.43          6.56        2.8463   -2   0   2         2
                34.26          1.39        2.6173   -1   2   2         4
                34.30         62.50        2.6147    0   3   1         4
                34.55         45.70        2.5963    2   2   0         4
                37.75          3.71        2.3829   -2   2   2         4
                37.99          4.30        2.3688    2   1   1         4
                39.38         17.89        2.2881    1   3   1         4
                39.67         10.98        2.2718   -3   1   1         4
                40.37          4.49        2.2342   -2   3   1         4
                41.45          2.32        2.1785    0   4   0         2
                42.84          9.91        2.1110   -1   1   3         4
                43.32          4.31        2.0887    1   2   2         4
                43.77         17.08        2.0684   -2   1   3         4
                43.85         10.12        2.0645    1   4   0         4
                45.73          2.12        1.9839   -3   2   2         4
                46.57          7.08        1.9503    0   1   3         4
                48.48          1.22        1.8779    2   3   1         4
                49.05          3.28        1.8572    2   0   2         2
                50.52          9.79        1.8066    2   4   0         4
                51.59          1.28        1.7716    3   1   1         4
                51.86          1.35        1.7631    0   4   2         4
                52.33         12.39        1.7482   -4   0   2         2
                52.93         13.03        1.7299   -2   4   2         4
                53.35          2.76        1.7173   -2   3   3         4
                53.46          3.58        1.7140   -4   1   1         4
                53.64         18.37        1.7085    2   2   2         4
                55.11          1.39        1.6665   -1   5   1         4
                55.79         24.33        1.6478    0   3   3         4
                56.97          4.24        1.6165    4   0   0         2
                59.24         13.41        1.5598   -2   5   1         4
                60.41          7.10        1.5324   -2   2   4         4
                61.82          5.13        1.5008    0   0   4         2
                61.95         17.35        1.4978   -4   3   1         4
                62.64          1.15        1.4831    1   3   3         4
                64.12          2.23        1.4523    0   6   0         2
                64.83          4.70        1.4382    2   1   3         4
                65.60         11.56        1.4232   -4   0   4         2
                65.64          7.68        1.4224    2   5   1         4
                66.11          2.27        1.4133    2   4   2         4
                66.16          7.03        1.4124   -4   3   3         4
                69.73          9.14        1.3486   -2   5   3         4
                72.18          2.95        1.3087   -2   4   4         4
                72.27          6.70        1.3073    0   6   2         4
                72.94          1.09        1.2970   -2   1   5         4
                74.20          7.88        1.2781    4   3   1         4
                77.57          4.20        1.2308    4   0   2         2
                78.63          1.06        1.2167   -3   6   2         4
                80.76          1.01        1.1900    2   0   4         2
                81.39          1.20        1.1823   -3   3   5         4
                84.37          1.92        1.1480    2   2   4         4
                85.74          3.10        1.1332   -4   3   5         4
                87.15          1.48        1.1184    2   5   3         4
                87.28          1.46        1.1171   -4  -6   2         4
                87.89          3.13        1.1109    2   7   1         4
                88.02          4.71        1.1096    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.