Struvite
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from the powder pattern for R050511
      Ferraris G, Fuess H, Joswig W
      Acta Crystallographica B42 (1986) 253-258
      Neutron diffraction study of MgNH4PO4*6H2O (struvite)
      and survey of water molecules donating short hydrogen bonds

      CELL PARAMETERS:   6.946400   6.139060   11.21424   90.00000   90.00000   90.00000
      SPACE GROUP: Pmn2_1
      X-RAY WAVELENGTH:     1.541838
               2-THETA      INTENSITY    D-SPACING   H   K   L
                14.45          4.96        6.1391    0   1   0
                15.03         35.80        5.9053    1   0   1
                15.83         56.84        5.6071    0   0   2
                16.49         24.10        5.3850    0   1   1
                19.32          4.30        4.6001    1   1   0
                20.89        100.00        4.2559    1   1   1
                21.48         34.33        4.1401    0   1   2
                25.06          3.58        3.5564    1   1   2
                25.67          9.99        3.4732    2   0   0
                27.10         25.91        3.2917    1   0   3
                27.96          1.51        3.1928    0   1   3
                29.10          2.18        3.0695    0   2   0
                29.56         10.67        3.0229    2   1   0
                30.20          8.17        2.9606    0   2   1
                30.28          9.46        2.9526    2   0   2
                30.64         50.18        2.9188    2   1   1
                31.93         31.42        2.8036    0   0   4
                32.90          8.22        2.7236    1   2   1
                33.29         44.32        2.6925    0   2   2
                33.69         38.76        2.6609    2   1   2
                35.20          2.14        2.5502    0   1   4
                35.77          6.56        2.5105    1   2   2
                37.58          3.82        2.3940    1   1   4
                38.30         10.98        2.3505    2   1   3
                39.17          1.43        2.3000    2   2   0
                40.02          2.99        2.2531    2   2   1
                41.39          3.39        2.1815    2   0   4
                41.69          2.40        2.1665    3   1   0
                42.35          2.59        2.1344    1   0   5
                42.48          3.49        2.1280    2   2   2
                42.50          1.80        2.1272    3   1   1
                43.73          2.57        2.0701    0   2   4
                44.05         10.43        2.0556    2   1   4
                44.26          1.44        2.0464    0   3   0
                44.85          2.39        2.0209    3   1   2
                44.96          8.29        2.0160    1   1   5
                45.73          3.51        1.9839    1   2   4
                46.11          2.76        1.9684    3   0   3
                46.25          3.67        1.9629    1   3   0
                46.35          9.56        1.9589    2   2   3
                47.28          3.09        1.9223    0   3   2
                48.57          4.50        1.8744    3   1   3
                48.72          1.05        1.8690    0   0   6
                49.17          1.24        1.8527    1   3   2
                49.29          2.33        1.8485    3   2   0
                50.00          2.37        1.8239    3   2   1
                50.38          3.38        1.8109    0   2   5
                50.67         10.63        1.8012    2   1   5
                50.86          6.78        1.7950    0   3   3
                51.85          9.79        1.7631    2   3   0
                52.19          1.12        1.7524    1   2   5
                52.53          5.03        1.7417    2   3   1
                52.66          2.83        1.7379    1   3   3
                52.70          9.23        1.7366    4   0   0
                53.44          5.74        1.7143    3   1   4
                54.55          3.85        1.6819    2   3   2
                55.37          1.69        1.6589    4   0   2
                55.44          1.66        1.6570    3   2   3
                55.59          1.75        1.6528    4   1   1
                55.85          1.25        1.6459    2   0   6
                57.17          1.20        1.6110    3   0   5
                57.37          1.92        1.6058    2   2   5
                57.54          1.19        1.6014    4   1   2
                57.74          4.53        1.5964    0   2   6
                58.00          6.01        1.5897    2   1   6
                59.39          1.76        1.5558    1   2   6
                61.25          2.77        1.5129    1   1   7
                62.51          2.74        1.4854    1   4   1
                62.81          1.03        1.4790    3   3   2
                63.75          3.41        1.4594    4   2   2
                65.40          1.22        1.4265    3   2   5
                65.81          1.07        1.4186    3   3   3
                66.70          1.14        1.4018    0   0   8
                68.93          3.16        1.3618    2   4   2
                69.84          1.27        1.3462    0   4   4
                69.90          3.98        1.3452    5   1   1
                71.19          1.23        1.3241    4   3   0
                71.80          3.02        1.3143    3   2   6
                73.86          1.37        1.2825    2   3   6
                74.37          1.06        1.2751    0   2   8
                74.60          1.23        1.2717    2   1   8
                74.64          5.32        1.2710    3   4   1
                76.76          1.03        1.2411    1   3   7
                79.06          1.55        1.2106    3   2   7
                80.15          1.05        1.1970    2   2   8
                81.94          1.42        1.1753    4   2   6
                83.45          1.01        1.1577    6   0   0
                83.47          1.12        1.1576    2   5   0
                89.22          1.05        1.0972    2   3   8
                89.22          1.05        1.0972    2   3   8
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.