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 = 1.12 GPa
      Locality: San Benito, California, USA
      _database_code_amcsd 0019507

      CELL PARAMETERS:    6.6094   6.6094   9.7239   90.000   90.000  120.000
      SPACE GROUP: P-6c2     
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    367.871
      Density (g/cm3):      3.732
      MAX. ABS. INTENSITY / VOLUME**2:      52.29225995    
      RIR:      4.562
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                15.48         26.14        5.7239    1   0   0         3
                18.25          3.09        4.8619    0   0   2         2
                24.02        100.00        3.7056    1   0   2         6
                26.98         16.04        3.3047    1   1   0         6
                28.53         11.56        3.1289    1   1   1        12
                31.25         26.88        2.8620    2   0   0         3
                32.77         78.70        2.7331    1   1   2        12
                36.43          4.91        2.4664    2   0   2         6
                36.98          9.72        2.4310    0   0   4         2
                40.31          8.51        2.2375    1   0   4         6
                41.75         17.82        2.1634    2   1   0         6
                42.82          6.08        2.1118    2   1   1        12
                45.91         12.20        1.9766    2   1   2        12
                46.37         15.76        1.9582    1   1   4        12
                47.66         10.79        1.9080    3   0   0         3
                49.18         15.22        1.8528    2   0   4         6
                50.74          2.05        1.7994    2   1   3        12
                51.45         13.13        1.7761    3   0   2         6
                55.62          4.38        1.6523    2   2   0         6
                56.98         10.89        1.6161    2   1   4        12
                58.10          1.54        1.5875    3   1   0         6
                58.95          2.68        1.5668    3   1   1        12
                59.05          6.23        1.5645    2   2   2        12
                59.26          6.12        1.5594    1   0   6         6
                61.44         10.46        1.5091    3   1   2        12
                61.81          5.79        1.5009    3   0   4         6
                63.98          9.97        1.4551    1   1   6        12
                65.47          2.83        1.4257    3   1   3        12
                68.33          3.32        1.3728    4   0   2         6
                68.68          7.08        1.3666    2   2   4        12
                70.90          1.94        1.3292    3   1   4        12
                71.90          2.09        1.3132    3   2   0         6
                72.93          2.24        1.2971    2   1   6        12
                74.91          2.77        1.2677    3   2   2        12
                76.22          5.27        1.2491    4   1   0         6
                76.96          1.31        1.2389    4   1   1        12
                77.24          2.72        1.2352    3   0   6         6
                77.39          2.23        1.2332    4   0   4         6
                77.64          1.37        1.2298    3   1   5        12
                78.61          1.71        1.2171    3   2   3        12
                78.73          2.08        1.2155    0   0   8         2
                79.17          5.09        1.2098    4   1   2        12
                83.56          2.24        1.1570    2   2   6        12
                83.71          2.41        1.1554    3   2   4        12
                85.03          1.06        1.1408    1   1   8        12
                85.65          3.54        1.1341    3   1   6        12
                87.11          2.09        1.1188    2   0   8         6
                87.88          3.64        1.1110    4   1   4        12
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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.