Chrysoberyl
      Diffraction data computed using the structure from the paper listed below, 
      along with the cell parameters refined from single crystal data of R080110
      Hazen R M, Finger L W
      Physics and Chemistry of Minerals 14 (1987) 426-434
      High-temperature crystal chemistry of phenakite (Be2SiO4) and
      Chrysoberyl (BeAl2O4)
      Sample: T = 25 C

      CELL PARAMETERS:   4.4140  9.3960  5.4720   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     0.320
            Al     0.99490   0.27306   0.25000     1.000     0.200
            Be     0.43330   0.09290   0.25000     1.000     0.440
            O      0.78740   0.09010   0.25000     1.000     0.350
            O      0.24220   0.43300   0.25000     1.000     0.360
            O      0.25680   0.16310   0.01540     1.000     0.380

            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:      7.629853224    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                18.89          4.61        4.6980    0   2   0
                22.25         48.90        3.9951    1   1   0
                24.98          1.66        3.5645    0   2   1
                25.93          2.68        3.4356    1   0   1
                27.65         93.98        3.2266    1   1   1
                27.73          1.90        3.2169    1   2   0
                32.28          1.92        2.7732    1   2   1
                32.73          1.06        2.7360    0   0   2
                35.13         57.33        2.5543    1   3   0
                38.06          9.38        2.3643    0   2   2
                38.32          2.99        2.3490    0   4   0
                38.91         34.36        2.3146    1   3   1
                39.94         51.16        2.2574    1   1   2
                41.85          3.65        2.1585    0   4   1
                42.05          1.94        2.1485    2   1   0
                43.42         95.34        2.0841    1   2   2
                43.65         49.23        2.0736    1   4   0
                45.35          3.83        1.9999    2   1   1
                48.52          1.63        1.8764    2   2   1
                48.77          7.30        1.8671    1   3   2
                52.96          1.20        1.7290    1   5   0
                55.37         12.56        1.6592    1   1   3
                55.76          7.73        1.6487    1   5   1
                57.09        100.00        1.6133    2   2   2
                57.28         42.10        1.6084    2   4   0
                58.14          1.18        1.5867    1   2   3
                59.94          7.97        1.5432    2   4   1
                61.60          7.50        1.5056    0   6   1
                62.58          8.44        1.4844    1   3   3
                63.67         20.34        1.4616    1   5   2
                64.06          1.81        1.4536    3   1   0
                64.70          2.72        1.4407    0   4   3
                66.56          4.42        1.4049    3   1   1
                67.56          1.45        1.3866    2   4   2
                67.69          1.22        1.3843    2   5   1
                68.60         26.56        1.3680    0   0   4
                69.11         41.19        1.3591    0   6   2
                70.75          5.68        1.3317    3   3   0
                73.12          2.91        1.2942    1   1   4
                73.14          9.61        1.2939    3   3   1
                73.78          9.52        1.2842    1   7   0
                73.82         10.93        1.2837    3   1   2
                75.81          2.77        1.2548    1   5   3
                76.21         12.32        1.2492    3   2   2
                76.38          5.32        1.2469    3   4   0
                76.61          1.01        1.2437    2   6   1
                79.44          1.48        1.2064    2   4   3
                79.47          9.17        1.2059    1   3   4
                80.91          2.79        1.1882    0   6   3
                81.41          1.65        1.1821    0   4   4
                84.93          6.15        1.1419    1   4   4
                85.40          2.04        1.1368    3   1   3
                85.57          2.34        1.1350    1   8   0
                85.72          1.23        1.1334    3   5   1
                88.63          9.44        1.1035    4   0   0
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.