Benitoite
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from the powder pattern for R050320
      Fisher V K
      Zeitschrift fur Kristallographie 129 (1969) 222-243
      Verfeinerung der kristallstruktur von benitoit BaTi[Si3O9]
      Sample: Dallas Gem Mine, San Benito, Ca

      CELL PARAMETERS:   6.641000   6.641000   9.759000   90.00000   90.00000   120.0000
      SPACE GROUP: P-6c2
      X-RAY WAVELENGTH:     1.541838
               2-THETA      INTENSITY    D-SPACING   H   K   L
                15.41         25.83        5.7504    1   0   0
                18.19          2.91        4.8778    0   0   2
                23.92        100.00        3.7198    1   0   2
                26.85         15.82        3.3200    1   1   0
                28.39         11.66        3.1430    1   1   1
                31.10         28.00        2.8752    2   0   0
                32.62         79.49        2.7446    1   1   2
                36.25          4.48        2.4769    2   0   2
                36.84          9.73        2.4389    0   0   4
                40.15          8.35        2.2453    1   0   4
                41.53         17.37        2.1735    2   1   0
                42.60          6.55        2.1214    2   1   1
                45.68         11.99        1.9853    2   1   2
                46.16         15.42        1.9656    1   1   4
                47.41         10.89        1.9168    3   0   0
                48.95         15.22        1.8599    2   0   4
                50.48          2.09        1.8070    2   1   3
                51.18         12.76        1.7840    3   0   2
                55.31          4.25        1.6600    2   2   0
                56.70         10.95        1.6226    2   1   4
                57.78          1.39        1.5949    3   1   0
                58.62          3.01        1.5740    3   1   1
                58.72          6.13        1.5715    2   2   2
                59.00          6.09        1.5646    1   0   6
                61.10         10.50        1.5159    3   1   2
                61.49          5.79        1.5071    3   0   4
                63.69         10.01        1.4602    1   1   6
                65.10          3.09        1.4319    3   1   3
                67.94          3.39        1.3790    4   0   2
                68.31          7.09        1.3723    2   2   4
                70.51          1.70        1.3348    3   1   4
                71.47          2.11        1.3192    3   2   0
                72.56          2.11        1.3019    2   1   6
                74.46          2.53        1.2735    3   2   2
                75.75          5.32        1.2548    4   1   0
                76.49          1.43        1.2446    4   1   1
                76.83          2.58        1.2399    3   0   6
                76.94          2.28        1.2385    4   0   4
                77.21          1.58        1.2348    3   1   5
                78.13          1.89        1.2225    3   2   3
                78.36          2.20        1.2195    0   0   8
                78.68          4.90        1.2153    4   1   2
                83.10          2.14        1.1616    2   2   6
                83.20          2.31        1.1604    3   2   4
                85.16          3.51        1.1386    3   1   6
                86.67          2.16        1.1227    2   0   8
                87.33          3.42        1.1158    4   1   4
                87.33          3.42        1.1158    4   1   4
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.