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 = 294 K
      _database_code_amcsd 0007503

      CELL PARAMETERS:    7.0722   8.7302   6.5672   90.000  113.840   90.000
      SPACE GROUP: P2_1/a    
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    370.875
      Density (g/cm3):      3.510
      MAX. ABS. INTENSITY / VOLUME**2:      16.14655049    
      RIR:      1.498
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                17.92         22.46        4.9486    0   1   1         4
                20.34          1.30        4.3651    0   2   0         2
                27.46        100.00        3.2475   -2   1   1         4
                27.58          3.33        3.2344    2   0   0         2
                29.45          1.12        3.0329    2   1   0         4
                29.75         72.85        3.0034    0   0   2         2
                31.40          6.72        2.8486   -2   0   2         2
                34.22          1.41        2.6204   -1   2   2         4
                34.24         62.93        2.6189    0   3   1         4
                34.51         45.83        2.5987    2   2   0         4
                37.71          3.72        2.3856   -2   2   2         4
                37.97          4.30        2.3700    2   1   1         4
                39.32         17.77        2.2911    1   3   1         4
                39.65         10.94        2.2733   -3   1   1         4
                40.31          4.49        2.2373   -2   3   1         4
                41.37          2.39        2.1825    0   4   0         2
                42.80          9.86        2.1127   -1   1   3         4
                43.28          4.24        2.0904    1   2   2         4
                43.72         17.11        2.0703   -2   1   3         4
                43.77         10.09        2.0680    1   4   0         4
                45.69          2.12        1.9858   -3   2   2         4
                46.53          7.01        1.9516    0   1   3         4
                48.42          1.30        1.8798    2   3   1         4
                49.03          3.31        1.8580    2   0   2         2
                50.44          9.96        1.8092    2   4   0         4
                51.56          1.29        1.7724    3   1   1         4
                51.78          1.29        1.7656    0   4   2         4
                52.30         12.37        1.7493   -4   0   2         2
                52.84         13.03        1.7325   -2   4   2         4
                53.28          2.80        1.7193   -2   3   3         4
                53.42          3.44        1.7150   -4   1   1         4
                53.61         18.50        1.7096    2   2   2         4
                55.01          1.43        1.6694   -1   5   1         4
                55.73         24.59        1.6495    0   3   3         4
                56.94          4.21        1.6172    4   0   0         2
                59.14         13.71        1.5623   -2   5   1         4
                60.35          7.14        1.5338   -2   2   4         4
                61.78          5.15        1.5017    0   0   4         2
                61.89         17.23        1.4992   -4   3   1         4
                62.58          1.17        1.4844    1   3   3         4
                63.99          2.31        1.4550    0   6   0         2
                64.79          4.64        1.4389    2   1   3         4
                65.54          7.77        1.4243    2   5   1         4
                65.54         11.47        1.4243   -4   0   4         2
                66.04          2.30        1.4148    2   4   2         4
                66.08          6.97        1.4139   -4   3   3         4
                69.61          9.22        1.3506   -2   5   3         4
                72.09          2.98        1.3102   -2   4   4         4
                72.13          6.75        1.3095    0   6   2         4
                72.87          1.07        1.2980   -2   1   5         4
                74.14          7.82        1.2789    4   3   1         4
                77.53          4.17        1.2312    4   0   2         2
                78.49          1.06        1.2186   -3   6   2         4
                80.71          1.04        1.1906    2   0   4         2
                81.29          1.19        1.1835   -3   3   5         4
                84.31          1.92        1.1486    2   2   4         4
                85.63          3.11        1.1343   -4   3   5         4
                87.04          1.56        1.1195    2   5   3         4
                87.13          1.46        1.1186   -4  -6   2         4
                87.72          3.09        1.1126    2   7   1         4
                87.93          4.72        1.1105    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.