Topaz
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from the powder pattern for R050404
      Northrup P A, Leinenweber K, Parise J B
      American Mineralogist 79 (1994) 401-404
      The location of H in the high-pressure synthetic Al2SiO4(OH)2 topaz analogue
      Sample fluor-topaz from a Mexican rhyolite

      CELL PARAMETERS:   4.650948   8.799644   8.390219   90.00000   90.00000   90.00000
      SPACE GROUP: Pbnm
      X-RAY WAVELENGTH:     1.541838
               2-THETA      INTENSITY    D-SPACING   H   K   L
                20.18          3.97        4.3998    0   2   0
                21.18          1.95        4.1951    0   0   2
                21.61          8.83        4.1119    1   1   0
                22.82          4.70        3.8966    0   2   1
                24.10         74.81        3.6924    1   1   1
                27.91         86.00        3.1962    1   2   0
                29.41         39.61        3.0362    0   2   2
                29.91         20.63        2.9868    1   2   1
                30.43        100.00        2.9365    1   1   2
                36.19         23.22        2.4810    1   3   0
                37.51          8.23        2.3968    1   0   3
                37.80         17.27        2.3792    1   3   1
                38.11         49.10        2.3603    0   2   3
                38.93          8.01        2.3125    1   1   3
                40.09          3.41        2.2483    2   1   0
                41.01          9.67        2.1999    0   4   0
                41.56         13.25        2.1717    2   1   1
                42.46          4.53        2.1280    0   4   1
                42.95         55.18        2.1048    1   2   3
                43.10          1.38        2.0976    0   0   4
                44.02         29.23        2.0560    2   2   0
                45.59          7.30        1.9887    1   4   0
                45.76          2.11        1.9816    2   1   2
                46.59          1.54        1.9483    0   4   2
                46.93          4.58        1.9351    1   4   1
                48.71         24.63        1.8685    1   1   4
                49.06         26.62        1.8560    1   3   3
                50.03         11.69        1.8223    2   3   0
                50.78          6.43        1.7970    1   4   2
                51.28          5.51        1.7807    2   3   1
                54.90         32.96        1.6714    2   3   2
                55.44          8.28        1.6565    2   2   3
                56.77         13.77        1.6207    1   4   3
                57.65          2.40        1.5981    2   4   0
                58.43          1.46        1.5784    1   0   5
                60.31         10.64        1.5337    2   1   4
                60.61         20.14        1.5268    2   3   3
                61.00          4.24        1.5181    0   4   4
                62.11          1.11        1.4934    2   4   2
                62.47          2.85        1.4857    1   2   5
                63.59         10.44        1.4622    3   2   0
                64.46          5.12        1.4447    0   6   1
                64.53          2.66        1.4432    1   4   4
                64.67          1.94        1.4405    3   2   1
                64.96          4.46        1.4347    3   1   2
                65.79         38.22        1.4186    1   5   3
                66.60         24.37        1.4033    2   5   0
                66.86         23.76        1.3984    0   0   6
                67.32          8.65        1.3900    1   3   5
                67.46          1.29        1.3876    2   4   3
                67.65          3.85        1.3841    2   5   1
                68.12          4.98        1.3756    2   3   4
                69.25         37.57        1.3559    3   0   3
                69.44          1.21        1.3527    3   3   1
                69.91          4.49        1.3448    2   1   5
                70.63          1.01        1.3327    0   2   6
                70.99          5.14        1.3269    1   6   2
                72.76          4.26        1.2989    0   6   3
                73.93          7.92        1.2811    1   2   6
                74.61          2.45        1.2712    2   4   4
                75.79          2.07        1.2543    2   5   3
                75.88          1.46        1.2530    3   4   1
                76.03          6.31        1.2510    1   6   3
                76.78          2.59        1.2405    2   6   0
                77.23          3.15        1.2344    3   1   4
                77.77          1.37        1.2272    2   6   1
                78.46          4.48        1.2182    1   3   6
                78.82          5.21        1.2135    1   7   0
                78.85          1.59        1.2131    3   4   2
                79.73          3.20        1.2019    0   6   4
                82.68          1.33        1.1664    2   5   4
                82.91          2.46        1.1637    1   6   4
                82.99          2.38        1.1627    4   0   0
                83.56          3.15        1.1563    2   2   6
                84.06          5.08        1.1507    1   1   7
                84.67          1.51        1.1439    1   4   6
                84.85          4.77        1.1420    4   1   1
                87.96          1.08        1.1094    2   3   6
                88.48          2.06        1.1043    0   6   5
                88.67          3.43        1.1024    3   2   5
                88.91          2.93        1.1000    0   8   0
                88.91          2.93        1.1000    0   8   0
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.