Chrysoberyl
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from the powder pattern for R110114
      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:   9.4150  5.4840  4.4326   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:  +/-  8 +/-  5 +/-  4
            MAX. ABS. INTENSITY / VOLUME**2:      12.41007604    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                18.73         46.01        4.7387    1   1   0
                18.85          4.39        4.7075    2   0   0
                22.17          2.54        4.0104    1   0   1
                24.93          6.88        3.5720    2   1   0
                27.55         57.63        3.2371    1   1   1
                32.18          8.09        2.7813    2   1   1
                32.88          6.98        2.7238    3   1   0
                38.24        100.00        2.3537    4   0   0
                38.80         11.66        2.3207    3   1   1
                43.30          1.37        2.0896    2   2   1
                45.16         20.57        2.0076    1   1   2
                46.73          1.66        1.9439    4   1   1
                50.88         10.94        1.7945    1   3   0
                51.30          6.25        1.7809    5   1   0
                53.14          3.09        1.7237    0   2   2
                53.29         19.35        1.7191    3   1   2
                54.09         23.08        1.6955    1   2   2
                55.22          7.07        1.6634    1   3   1
                55.62         13.62        1.6525    5   1   1
                56.89         58.66        1.6186    2   2   2
                58.43          6.01        1.5796    3   3   0
                59.56          1.06        1.5522    5   2   0
                61.36         16.79        1.5108    3   2   2
                61.46          1.35        1.5086    6   1   0
                62.41          9.79        1.4879    3   3   1
                65.34          1.64        1.4282    6   1   1
                66.26          4.09        1.4106    1   1   3
                67.11          1.45        1.3947    1   3   2
                67.33          5.29        1.3906    4   2   2
                67.46          1.83        1.3883    5   1   2
                69.25          4.16        1.3567    1   4   0
                71.70         10.95        1.3163    2   4   0
                72.00          3.63        1.3116    5   3   0
                72.34          1.40        1.3063    7   1   0
                72.82          1.74        1.2988    3   1   3
                74.65          2.81        1.2714    5   2   2
                75.32          2.09        1.2618    2   4   1
                75.70          3.02        1.2563    3   4   0
                75.94          1.84        1.2530    7   1   1
                81.19          1.51        1.1847    4   4   0
                81.85          4.22        1.1769    8   0   0
                83.27         14.80        1.1603    6   2   2
                85.04          1.96        1.1406    1   3   3
                85.37          3.60        1.1371    5   1   3
                86.15          1.38        1.1288    5   3   2
                86.48          3.16        1.1254    7   1   2
                88.14          1.14        1.1083    5   4   0
                88.16          6.59        1.1082    0   0   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.