Vuagnatite
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from the powder pattern for R050397
      McNear E, Vincent M G, Parthe E
      American Mineralogist 61 (1976) 831-838
      The crystal structure of vuagnatite, CaAl(OH)SiO4

      CELL PARAMETERS:   7.053432   8.539056   5.681695   90.00000   90.00000   90.00000
      SPACE GROUP: P2_12_12_1
      X-RAY WAVELENGTH:     1.541838
               2-THETA      INTENSITY    D-SPACING   H   K   L
                16.26         17.13        5.4381    1   1   0
                20.76          1.56        4.2695    0   2   0
                22.59         32.65        3.9286    1   1   1
                25.20         16.94        3.5267    2   0   0
                26.06          3.69        3.4132    0   2   1
                27.31          2.14        3.2596    2   1   0
                29.76        100.00        2.9964    2   0   1
                31.44         26.06        2.8408    0   0   2
                31.59          4.23        2.8274    2   1   1
                32.88          6.82        2.7191    2   2   0
                33.91         48.79        2.6395    1   3   0
                35.60         58.26        2.5180    1   1   2
                36.58         45.46        2.4527    2   2   1
                37.51         46.36        2.3938    1   3   1
                37.98          1.72        2.3651    0   2   2
                40.15         10.12        2.2424    1   2   2
                40.67         31.66        2.2150    2   3   0
                40.72          7.28        2.2124    2   0   2
                42.13         25.23        2.1416    2   1   2
                42.89          2.31        2.1054    3   1   1
                43.90          5.93        2.0595    3   2   0
                44.27          8.39        2.0432    1   4   0
                46.15          9.89        1.9643    2   2   2
                46.86          1.82        1.9362    3   2   1
                46.92         12.31        1.9337    1   3   2
                47.21          2.77        1.9227    1   4   1
                49.78          1.11        1.8291    1   0   3
                49.87          2.00        1.8263    2   4   0
                50.99          6.26        1.7885    1   1   3
                51.51          6.33        1.7719    3   1   2
                51.77          7.72        1.7634    4   0   0
                52.30          3.88        1.7468    2   3   2
                52.57          1.15        1.7386    2   4   1
                52.81          2.15        1.7312    0   2   3
                52.95         14.17        1.7269    3   3   1
                53.63          7.80        1.7066    0   4   2
                54.96          7.81        1.6685    2   0   3
                56.17          1.78        1.6355    0   5   1
                56.38         12.99        1.6298    4   2   0
                57.79          3.60        1.5933    1   5   1
                59.40          3.34        1.5541    2   2   3
                60.05          6.83        1.5388    1   3   3
                60.16          3.96        1.5362    2   4   2
                60.51         22.11        1.5281    3   3   2
                61.85          8.23        1.4982    4   0   2
                64.18          2.37        1.4494    4   3   1
                64.99         13.28        1.4332    1   5   2
                65.51          1.82        1.4232    0   6   0
                65.65          8.50        1.4204    0   0   4
                67.18          2.10        1.3918    5   1   0
                67.73          3.47        1.3818    3   5   0
                68.15          1.66        1.3743    1   1   4
                69.27          1.14        1.3548    1   6   1
                69.99          2.46        1.3426    3   5   1
                72.03          3.37        1.3095    3   3   3
                73.59          4.01        1.2855    2   6   1
                75.89          2.19        1.2522    1   6   2
                75.99          3.68        1.2508    1   3   4
                76.18          1.16        1.2483    1   5   3
                76.59          1.30        1.2426    3   5   2
                77.23          1.50        1.2338    5   3   1
                80.18          1.58        1.1957    2   3   4
                83.64          4.23        1.1548    5   3   2
                83.97          2.40        1.1512    6   0   1
                83.97          2.40        1.1512    6   0   1
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.