Chrysoberyl
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from the powder pattern for R110103
      Hazen R M
      Physics and Chemistry of Minerals 14 (1987) 13-20
      High-pressure crystal chemistry of chrysoberyl, Al2BeO4:
      insights on the origin of olivine elastic anisotropy
      Sample: P = 1 bar
      _database_code_amcsd 0007428

      CELL PARAMETERS:   4.4284  9.4090  5.4800   90.000   90.000   90.000
      SPACE GROUP: Pbnm      

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Al     0.00000   0.00000   0.00000     1.000     0.550
            Al     0.99420   0.27290   0.25000     1.000     0.370
            Be     0.43280   0.09300   0.25000     1.000     0.800
            O      0.78990   0.09050   0.25000     1.000     0.580
            O      0.24190   0.43300   0.25000     1.000     0.640
            O      0.25690   0.16280   0.01540     1.000     0.490

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  4 +/-  8 +/-  5
            MAX. ABS. INTENSITY / VOLUME**2:      7.289194467    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                18.86          4.71        4.7045    0   2   0
                22.19         51.71        4.0068    1   1   0
                24.94          1.79        3.5696    0   2   1
                25.87          2.71        3.4443    1   0   1
                27.58         98.34        3.2344    1   1   1
                27.66          2.14        3.2245    1   2   0
                32.21          2.15        2.7791    1   2   1
                32.68          1.04        2.7400    0   0   2
                35.06         58.33        2.5594    1   3   0
                38.00          9.78        2.3677    0   2   2
                38.26          2.92        2.3523    0   4   0
                38.83         34.41        2.3190    1   3   1
                39.86         51.25        2.2617    1   1   2
                41.79          3.62        2.1615    0   4   1
                41.92          2.20        2.1553    2   1   0
                43.33         97.31        2.0880    1   2   2
                43.57         49.77        2.0774    1   4   0
                45.21          4.15        2.0058    2   1   1
                48.37          1.62        1.8816    2   2   1
                48.68          7.45        1.8704    1   3   2
                52.86          1.14        1.7319    1   5   0
                55.27         12.84        1.6621    1   1   3
                55.66          7.91        1.6514    1   5   1
                56.94        100.00        1.6172    2   2   2
                57.13         42.65        1.6123    2   4   0
                58.03          1.22        1.5894    1   2   3
                59.79          7.98        1.5467    2   4   1
                61.51          7.50        1.5077    0   6   1
                62.46          8.26        1.4868    1   3   3
                63.55         20.33        1.4640    1   5   2
                63.83          1.75        1.4583    3   1   0
                64.60          2.67        1.4427    0   4   3
                66.33          4.34        1.4093    3   1   1
                67.39          1.45        1.3896    2   4   2
                67.52          1.31        1.3872    2   5   1
                68.49         26.18        1.3700    0   0   4
                69.00         40.60        1.3610    0   6   2
                70.51          5.58        1.3356    3   3   0
                72.90          9.70        1.2976    3   3   1
                72.98          2.89        1.2963    1   1   4
                73.58         10.81        1.2873    3   1   2
                73.65          9.20        1.2862    1   7   0
                75.67          2.77        1.2568    1   5   3
                75.97         12.01        1.2526    3   2   2
                76.00          1.01        1.2522    1   7   1
                76.13          5.06        1.2503    3   4   0
                79.25          1.42        1.2088    2   4   3
                79.32          8.82        1.2078    1   3   4
                80.77          2.69        1.1899    0   6   3
                81.26          1.57        1.1838    0   4   4
                84.76          5.92        1.1437    1   4   4
                85.13          1.96        1.1397    3   1   3
                85.41          2.30        1.1367    1   8   0
                85.45          1.21        1.1362    3   5   1
                88.27          8.99        1.1071    4   0   0
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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.