Benitoite
      Hejny C, Miletich R, Jasser A, Schouwink P, Crichton W, Kahlenberg V
      American Mineralogist 97 (2012) 1749-1763
      Second-order P6c2-P31c transition and structural crystallography of
      the cyclosilicate benitoite, BaTiSi3O9, at high pressure
      Note: P = 4.75 GPa
      Locality: San Benito, California, USA
      _database_code_amcsd 0019512

      CELL PARAMETERS:   11.3382  11.3382   9.6584   90.000   90.000  120.000
      SPACE GROUP: P31c      
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:   1075.286
      Density (g/cm3):      3.830
      MAX. ABS. INTENSITY / VOLUME**2:      53.60869783    
      RIR:      4.557
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                15.63         27.17        5.6691    1   1   0         3
                18.37          2.96        4.8292    0   0   2         1
                20.49          1.12        4.3335    1   0   2         6
                24.21         50.01        3.6762    1   1   2         3
                24.21         49.99        3.6762    2  -1   2         3
                27.25         16.19        3.2731    3   0   0         6
                28.80         12.01        3.0999    3   0   1         6
                31.56         27.28        2.8345    2   2   0         3
                33.06         80.64        2.7094    3   0   2         6
                36.77          2.44        2.4446    4  -2   2         3
                36.77          2.49        2.4446    2   2   2         3
                37.24          9.62        2.4146    0   0   4         1
                40.61          3.88        2.2215    1   1   4         3
                40.61          3.97        2.2215    2  -1   4         3
                42.17         18.80        2.1427    4   1   0         6
                43.25          3.16        2.0919    5  -1   1         6
                43.25          3.11        2.0919    4   1   1         6
                46.36          6.29        1.9586    4   1   2         6
                46.36          6.35        1.9586    5  -1   2         6
                46.75         15.54        1.9431    3   0   4         6
                48.15         12.00        1.8897    3   3   0         3
                49.59          7.75        1.8381    4  -2   4         3
                49.59          7.71        1.8381    2   2   4         3
                51.21          1.07        1.7838    4   1   3         6
                51.21          1.07        1.7838    5  -1   3         6
                51.96          6.79        1.7598    6  -3   2         3
                51.96          6.76        1.7598    3   3   2         3
                56.21          4.67        1.6365    6   0   0         6
                57.50          5.43        1.6027    4   1   4         6
                57.50          5.57        1.6027    5  -1   4         6
                58.72          1.70        1.5723    5   2   0         6
                59.57          1.45        1.5519    5   2   1         6
                59.57          1.43        1.5519    7  -2   1         6
                59.65          7.01        1.5499    6   0   2         6
                59.71          2.84        1.5485    1   1   6         3
                59.71          2.79        1.5485    2  -1   6         3
                62.08          5.72        1.4951    7  -2   2         6
                62.08          5.79        1.4951    5   2   2         6
                62.40          3.09        1.4881    6  -3   4         3
                62.40          3.13        1.4881    3   3   4         3
                64.51          9.90        1.4445    3   0   6         6
                66.14          1.56        1.4128    5   2   3         6
                66.14          1.55        1.4128    7  -2   3         6
                69.07          1.96        1.3599    8  -4   2         3
                69.07          1.93        1.3599    4   4   2         3
                69.37          7.37        1.3547    6   0   4         6
                72.70          2.49        1.3006    7   1   0         6
                73.60          1.00        1.2870    5  -1   6         6
                75.74          1.47        1.2558    7   1   2         6
                75.74          1.49        1.2558    8  -1   2         6
                77.10          6.08        1.2371    6   3   0         6
                77.97          1.26        1.2254    3   3   6         3
                77.97          1.29        1.2254    6  -3   6         3
                78.21          1.17        1.2223    4   4   4         3
                78.21          1.17        1.2223    8  -4   4         3
                79.37          2.07        1.2073    0   0   8         1
                80.08          2.95        1.1984    6   3   2         6
                80.08          2.94        1.1984    9  -3   2         6
                84.41          2.35        1.1476    6   0   6         6
                84.64          1.43        1.1450    8  -1   4         6
                84.64          1.42        1.1450    7   1   4         6
                86.53          1.80        1.1248    5   2   6         6
                86.53          1.82        1.1248    7  -2   6         6
                88.89          2.13        1.1010    9  -3   4         6
                88.89          2.11        1.1010    6   3   4         6
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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.