Titanite
      Kunz M, Arlt T, Stolz J
      American Mineralogist 85 (2000) 1465-1473
      In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure
      and high temperature
      Sample #013 at P = 3.25 GPa, T = 538 K
      _database_code_amcsd 0002536

      CELL PARAMETERS:    6.9754   8.6723   6.4885   90.000  113.443   90.000
      SPACE GROUP: A2/a      
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    360.108
      Density (g/cm3):      3.615
      MAX. ABS. INTENSITY / VOLUME**2:      14.21798357    
      RIR:      1.281
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                18.07         22.06        4.9079    0   1   1         4
                26.26          1.35        3.3939    1   1   1         4
                27.85        100.00        3.2040   -2   1   1         4
                30.02         88.54        2.9765    0   0   2         2
                31.89          7.83        2.8061   -2   0   2         2
                34.49         84.37        2.6004    0   3   1         4
                34.85         44.32        2.5747    2   2   0         4
                38.20          4.22        2.3558   -2   2   2         4
                38.29          6.06        2.3508    2   1   1         4
                39.61         29.92        2.2751    1   3   1         4
                40.19         11.85        2.2439   -3   1   1         4
                40.73          5.10        2.2152   -2   3   1         4
                41.66          5.07        2.1681    0   4   0         2
                43.30         10.44        2.0896   -1   1   3         4
                43.62          5.95        2.0750    1   2   2         4
                44.10          7.52        2.0534    1   4   0         4
                44.34         21.03        2.0429   -2   1   3         4
                46.97          8.97        1.9343    0   1   3         4
                47.50          1.25        1.9141    3   2   0         4
                48.82          1.79        1.8656    2   3   1         4
                49.43          3.12        1.8440    2   0   2         2
                50.40          1.05        1.8108   -3   3   1         4
                50.87         10.33        1.7949    2   4   0         4
                52.05          2.59        1.7570    3   1   1         4
                52.20          3.41        1.7525    0   4   2         4
                53.03          1.08        1.7267   -1   3   3         4
                53.12         16.50        1.7240   -4   0   2         2
                53.40         16.13        1.7156   -2   4   2         4
                53.93          1.72        1.7001   -2   3   3         4
                54.04         20.58        1.6969    2   2   2         4
                54.16          5.33        1.6936   -4   1   1         4
                55.45          2.59        1.6571   -1   5   1         4
                56.23         25.47        1.6360    0   3   3         4
                57.61          6.77        1.5999    4   0   0         2
                59.67         14.25        1.5495   -2   5   1         4
                61.14          8.62        1.5157   -2   2   4         4
                62.40          5.21        1.4882    0   0   4         2
                62.67         16.27        1.4825   -4   3   1         4
                63.10          2.81        1.4733    1   3   3         4
                64.47          1.16        1.4454    0   6   0         2
                65.34          5.25        1.4282    2   1   3         4
                66.07         10.62        1.4141    2   5   1         4
                66.30          1.00        1.4099    1   6   0         4
                66.57          1.50        1.4047    2   4   2         4
                66.66         13.72        1.4030   -4   0   4         2
                67.08          8.59        1.3953   -4   3   3         4
                69.68          1.39        1.3494   -4   4   2         4
                70.37          7.77        1.3378   -2   5   3         4
                71.49          2.25        1.3197   -1   6   2         4
                72.73          6.05        1.3002    0   6   2         4
                72.96          2.19        1.2966   -2   4   4         4
                74.90          8.55        1.2679    4   3   1         4
                77.13          1.68        1.2367   -5   3   1         4
                78.30          4.15        1.2211    4   0   2         2
                78.31          1.64        1.2210   -5   3   3         4
                79.36          1.44        1.2074   -3   6   2         4
                80.22          1.12        1.1966    3   6   0         4
                81.45          1.29        1.1816    2   0   4         2
                82.51          1.86        1.1691   -3   3   5         4
                85.10          2.63        1.1400    2   2   4         4
                87.06          4.00        1.1194   -4   3   5         4
                87.82          1.79        1.1115    2   5   3         4
                88.22          1.43        1.1076   -4  -6   2         4
                88.49          2.39        1.1049    2   7   1         4
                88.90          4.91        1.1009    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.