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 = 440 K
      _database_code_amcsd 0007507

      CELL PARAMETERS:    7.0701   8.7405   6.5747   90.000  113.773   90.000
      SPACE GROUP: P2_1/a    
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    371.818
      Density (g/cm3):      3.501
      MAX. ABS. INTENSITY / VOLUME**2:      16.09692873    
      RIR:      1.497
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                17.90         22.85        4.9561    0   1   1         4
                20.32          1.30        4.3703    0   2   0         2
                27.47        100.00        3.2471   -2   1   1         4
                27.57          3.09        3.2351    2   0   0         2
                29.70         72.39        3.0084    0   0   2         2
                31.40          6.35        2.8490   -2   0   2         2
                34.18          1.36        2.6233   -1   2   2         4
                34.19         62.65        2.6223    0   3   1         4
                34.49         45.38        2.6002    2   2   0         4
                37.69          3.87        2.3866   -2   2   2         4
                37.93          4.43        2.3724    2   1   1         4
                39.27         17.14        2.2940    1   3   1         4
                39.65         10.78        2.2729   -3   1   1         4
                40.29          4.40        2.2385   -2   3   1         4
                41.32          2.40        2.1851    0   4   0         2
                42.74          9.42        2.1155   -1   1   3         4
                43.21          4.22        2.0936    1   2   2         4
                43.69         16.99        2.0718   -2   1   3         4
                43.72          9.65        2.0703    1   4   0         4
                45.69          2.17        1.9858   -3   2   2         4
                46.45          6.86        1.9548    0   1   3         4
                48.37          1.20        1.8818    2   3   1         4
                48.96          3.14        1.8606    2   0   2         2
                50.40          9.61        1.8108    2   4   0         4
                51.52          1.28        1.7738    3   1   1         4
                51.70          1.40        1.7680    0   4   2         4
                52.32         12.42        1.7487   -4   0   2         2
                52.80         12.73        1.7339   -2   4   2         4
                53.23          2.66        1.7208   -2   3   3         4
                53.43          3.59        1.7148   -4   1   1         4
                53.53         17.99        1.7119    2   2   2         4
                54.94          1.30        1.6712   -1   5   1         4
                55.63         23.57        1.6520    0   3   3         4
                56.93          4.28        1.6176    4   0   0         2
                59.08         13.23        1.5637   -2   5   1         4
                60.28          6.82        1.5354   -2   2   4         4
                61.66          4.89        1.5042    0   0   4         2
                61.88         17.08        1.4994   -4   3   1         4
                62.47          1.10        1.4867    1   3   3         4
                63.90          2.23        1.4568    0   6   0         2
                64.68          4.46        1.4411    2   1   3         4
                65.46          7.52        1.4259    2   5   1         4
                65.53         11.17        1.4245   -4   0   4         2
                65.94          2.18        1.4166    2   4   2         4
                66.07          7.06        1.4141   -4   3   3         4
                69.53          8.84        1.3519   -2   5   3         4
                72.00          2.80        1.3116   -2   4   4         4
                72.03          6.45        1.3111    0   6   2         4
                72.77          1.06        1.2996   -2   1   5         4
                74.07          7.72        1.2799    4   3   1         4
                77.44          3.96        1.2324    4   0   2         2
                78.42          1.06        1.2195   -3   6   2         4
                81.21          1.11        1.1845   -3   3   5         4
                84.15          1.84        1.1505    2   2   4         4
                85.57          3.00        1.1349   -4   3   5         4
                86.89          1.42        1.1211    2   5   3         4
                87.07          1.43        1.1193   -4  -6   2         4
                87.59          2.85        1.1139    2   7   1         4
                87.76          4.37        1.1122    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.