Titanite
      Ghose S, Ito Y, Hatch D M
      Physics and Chemistry of Minerals 17 (1991) 591-603
      Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5
      I. A high temperature X-ray diffraction study of the order parameter
      and transition mechanism
      Sample: T = 400 K
      _database_code_amcsd 0007505

      CELL PARAMETERS:    7.0730   8.7374   6.5716   90.000  113.804   90.000
      SPACE GROUP: P2_1/a    
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    371.574
      Density (g/cm3):      3.504
      MAX. ABS. INTENSITY / VOLUME**2:      16.05343841    
      RIR:      1.492
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                17.91         23.05        4.9531    0   1   1         4
                20.33          1.31        4.3687    0   2   0         2
                27.46        100.00        3.2481   -2   1   1         4
                27.57          3.15        3.2357    2   0   0         2
                29.72         72.56        3.0063    0   0   2         2
                31.40          6.54        2.8493   -2   0   2         2
                34.19          1.36        2.6222   -1   2   2         4
                34.21         62.64        2.6211    0   3   1         4
                34.49         45.72        2.6002    2   2   0         4
                37.69          3.77        2.3865   -2   2   2         4
                37.94          4.34        2.3718    2   1   1         4
                39.29         17.57        2.2931    1   3   1         4
                39.64         10.76        2.2737   -3   1   1         4
                40.29          4.35        2.2384   -2   3   1         4
                41.33          2.46        2.1844    0   4   0         2
                42.77          9.56        2.1143   -1   1   3         4
                43.24          4.13        2.0924    1   2   2         4
                43.70         16.81        2.0713   -2   1   3         4
                43.74          9.77        2.0696    1   4   0         4
                45.68          2.17        1.9862   -3   2   2         4
                46.49          6.96        1.9535    0   1   3         4
                48.38          1.26        1.8812    2   3   1         4
                48.98          3.22        1.8597    2   0   2         2
                50.41          9.74        1.8104    2   4   0         4
                51.53          1.25        1.7736    3   1   1         4
                51.73          1.36        1.7671    0   4   2         4
                52.29         12.28        1.7494   -4   0   2         2
                52.81         12.72        1.7335   -2   4   2         4
                53.25          2.71        1.7203   -2   3   3         4
                53.41          3.51        1.7154   -4   1   1         4
                53.56         18.08        1.7111    2   2   2         4
                54.96          1.35        1.6707   -1   5   1         4
                55.67         23.90        1.6510    0   3   3         4
                56.92          4.21        1.6178    4   0   0         2
                59.09         13.43        1.5633   -2   5   1         4
                60.30          6.95        1.5348   -2   2   4         4
                61.71          5.06        1.5031    0   0   4         2
                61.87         16.97        1.4997   -4   3   1         4
                62.51          1.11        1.4858    1   3   3         4
                63.93          2.24        1.4562    0   6   0         2
                64.72          4.55        1.4403    2   1   3         4
                65.48          7.59        1.4255    2   5   1         4
                65.52         11.15        1.4246   -4   0   4         2
                65.97          2.21        1.4160    2   4   2         4
                66.06          6.89        1.4143   -4   3   3         4
                69.56          8.99        1.3515   -2   5   3         4
                72.03          2.87        1.3111   -2   4   4         4
                72.06          6.50        1.3106    0   6   2         4
                72.81          1.07        1.2989   -2   1   5         4
                74.08          7.61        1.2797    4   3   1         4
                77.46          3.99        1.2321    4   0   2         2
                78.44          1.05        1.2193   -3   6   2         4
                81.24          1.14        1.1842   -3   3   5         4
                84.21          1.87        1.1498    2   2   4         4
                85.59          3.00        1.1348   -4   3   5         4
                86.94          1.47        1.1205    2   5   3         4
                87.07          1.40        1.1192   -4  -6   2         4
                87.63          2.89        1.1135    2   7   1         4
                87.83          4.44        1.1115    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.