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 #035 at P = 4.34 GPa, T = 660 K
      _database_code_amcsd 0002558

      CELL PARAMETERS:    6.9534   8.6641   6.4730   90.000  113.361   90.000
      SPACE GROUP: A2/a      
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    357.998
      Density (g/cm3):      3.636
      MAX. ABS. INTENSITY / VOLUME**2:      14.89286891    
      RIR:      1.334
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                18.10         23.66        4.9005    0   1   1         4
                20.50          1.56        4.3320    0   2   0         2
                26.30          1.90        3.3886    1   1   1         4
                27.93        100.00        3.1945   -2   1   1         4
                27.95          1.84        3.1917    2   0   0         2
                30.08         83.48        2.9712    0   0   2         2
                32.00          7.44        2.7971   -2   0   2         2
                34.53         74.86        2.5975    0   3   1         4
                34.66          1.62        2.5881   -1   2   2         4
                34.92         48.40        2.5696    2   2   0         4
                38.30          4.02        2.3499   -2   2   2         4
                38.36          4.84        2.3465    2   1   1         4
                39.66         23.29        2.2724    1   3   1         4
                40.31         11.74        2.2372   -3   1   1         4
                40.81          6.60        2.2110   -2   3   1         4
                41.70          4.28        2.1660    0   4   0         2
                43.40          9.29        2.0851   -1   1   3         4
                43.69          6.58        2.0720    1   2   2         4
                44.15          9.54        2.0512    1   4   0         4
                44.47         22.23        2.0373   -2   1   3         4
                47.06          8.26        1.9310    0   1   3         4
                48.89          1.53        1.8628    2   3   1         4
                49.51          3.17        1.8409    2   0   2         2
                50.95          8.39        1.7923    2   4   0         4
                52.16          1.54        1.7535    3   1   1         4
                52.27          2.72        1.7503    0   4   2         4
                53.31         14.00        1.7183   -4   0   2         2
                53.51         11.87        1.7126   -2   4   2         4
                54.06          2.33        1.6964   -2   3   3         4
                54.13         20.81        1.6943    2   2   2         4
                54.33          4.70        1.6887   -4   1   1         4
                55.52          2.48        1.6552   -1   5   1         4
                56.32         27.91        1.6335    0   3   3         4
                57.77          5.63        1.5958    4   0   0         2
                59.77         14.59        1.5473   -2   5   1         4
                60.87          1.22        1.5218    3   3   1         4
                61.05          1.05        1.5179    3   4   0         4
                61.30          8.02        1.5122   -2   2   4         4
                62.52          4.48        1.4856    0   0   4         2
                62.84         18.20        1.4789   -4   3   1         4
                63.20          2.11        1.4712    1   3   3         4
                64.53          2.17        1.4440    0   6   0         2
                65.45          4.52        1.4260    2   1   3         4
                66.17          8.29        1.4123    2   5   1         4
                66.68          1.64        1.4027    2   4   2         4
                66.90         13.19        1.3986   -4   0   4         2
                67.29          7.87        1.3914   -4   3   3         4
                70.51          7.97        1.3356   -2   5   3         4
                71.59          2.50        1.3181   -1   6   2         4
                72.82          6.50        1.2988    0   6   2         4
                73.13          2.08        1.2941   -2   4   4         4
                75.07          9.02        1.2654    4   3   1         4
                77.36          1.08        1.2335   -5   3   1         4
                78.47          4.46        1.2188    4   0   2         2
                78.58          1.42        1.2174   -5   3   3         4
                79.52          1.71        1.2054   -3   6   2         4
                81.61          1.07        1.1797    2   0   4         2
                82.75          1.36        1.1663   -3   3   5         4
                85.26          2.03        1.1383    2   2   4         4
                87.35          3.54        1.1164   -4   3   5         4
                87.97          1.59        1.1101    2   5   3         4
                88.43          1.67        1.1055   -4  -6   2         4
                88.62          2.55        1.1036    2   7   1         4
                89.09          5.16        1.0991    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.