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 = 350 K
      _database_code_amcsd 0007504

      CELL PARAMETERS:    7.0746   8.7373   6.5723   90.000  113.811   90.000
      SPACE GROUP: P2_1/a    
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    371.674
      Density (g/cm3):      3.503
      MAX. ABS. INTENSITY / VOLUME**2:      16.12084174    
      RIR:      1.499
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                17.91         22.90        4.9533    0   1   1         4
                20.33          1.34        4.3686    0   2   0         2
                27.45        100.00        3.2488   -2   1   1         4
                27.56          3.18        3.2362    2   0   0         2
                29.72         72.73        3.0064    0   0   2         2
                31.39          6.55        2.8498   -2   0   2         2
                34.19          1.35        2.6224   -1   2   2         4
                34.21         63.04        2.6211    0   3   1         4
                34.49         45.88        2.6004    2   2   0         4
                37.69          3.78        2.3869   -2   2   2         4
                37.93          4.38        2.3720    2   1   1         4
                39.29         17.66        2.2931    1   3   1         4
                39.63         10.85        2.2742   -3   1   1         4
                40.29          4.35        2.2386   -2   3   1         4
                41.33          2.48        2.1843    0   4   0         2
                42.76          9.72        2.1145   -1   1   3         4
                43.24          4.21        2.0924    1   2   2         4
                43.70         17.04        2.0716   -2   1   3         4
                43.74          9.95        2.0696    1   4   0         4
                45.67          2.13        1.9866   -3   2   2         4
                46.49          7.08        1.9536    0   1   3         4
                48.38          1.25        1.8813    2   3   1         4
                48.98          3.22        1.8598    2   0   2         2
                50.40          9.93        1.8105    2   4   0         4
                51.52          1.28        1.7738    3   1   1         4
                51.73          1.38        1.7672    0   4   2         4
                52.28         12.36        1.7498   -4   0   2         2
                52.81         12.96        1.7337   -2   4   2         4
                53.24          2.70        1.7205   -2   3   3         4
                53.40          3.54        1.7157   -4   1   1         4
                53.55         18.40        1.7112    2   2   2         4
                54.96          1.40        1.6707   -1   5   1         4
                55.67         24.43        1.6511    0   3   3         4
                56.91          4.25        1.6181    4   0   0         2
                59.09         13.66        1.5634   -2   5   1         4
                60.30          7.12        1.5349   -2   2   4         4
                61.71          5.18        1.5032    0   0   4         2
                61.86         17.25        1.4999   -4   3   1         4
                62.51          1.13        1.4859    1   3   3         4
                63.93          2.32        1.4562    0   6   0         2
                64.72          4.69        1.4404    2   1   3         4
                65.48          7.75        1.4255    2   5   1         4
                65.51         11.37        1.4249   -4   0   4         2
                65.97          2.31        1.4161    2   4   2         4
                66.05          7.01        1.4145   -4   3   3         4
                69.55          9.20        1.3516   -2   5   3         4
                72.02          2.98        1.3112   -2   4   4         4
                72.06          6.74        1.3106    0   6   2         4
                72.80          1.11        1.2991   -2   1   5         4
                74.08          7.81        1.2799    4   3   1         4
                77.45          4.13        1.2323    4   0   2         2
                78.43          1.06        1.2194   -3   6   2         4
                81.23          1.16        1.1843   -3   3   5         4
                84.21          1.95        1.1498    2   2   4         4
                85.57          3.11        1.1349   -4   3   5         4
                86.94          1.55        1.1206    2   5   3         4
                87.06          1.46        1.1193   -4  -6   2         4
                87.63          3.06        1.1135    2   7   1         4
                87.82          4.66        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.