Struvite
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from the powder pattern for R050540
      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:   6.940258   6.130706   11.20546   90.00000   90.00000   90.00000
      SPACE GROUP: Pmn2_1
      X-RAY WAVELENGTH:     1.541838
               2-THETA      INTENSITY    D-SPACING   H   K   L
                14.43          4.96        6.1307    0   1   0
                15.00         35.80        5.9002    1   0   1
                15.80         56.84        5.6027    0   0   2
                16.46         24.10        5.3784    0   1   1
                19.30          4.30        4.5948    1   1   0
                20.87        100.00        4.2512    1   1   1
                21.46         34.33        4.1358    0   1   2
                25.04          3.58        3.5528    1   1   2
                25.65          9.99        3.4701    2   0   0
                27.08         25.91        3.2891    1   0   3
                27.94          1.51        3.1898    0   1   3
                29.10          2.18        3.0654    0   2   0
                29.55         10.67        3.0199    2   1   0
                30.20          8.17        2.9567    0   2   1
                30.27          9.46        2.9501    2   0   2
                30.63         50.18        2.9159    2   1   1
                31.92         31.42        2.8014    0   0   4
                32.90          8.22        2.7202    1   2   1
                33.29         44.32        2.6892    0   2   2
                33.68         38.76        2.6583    2   1   2
                35.19          2.14        2.5480    0   1   4
                35.78          6.56        2.5075    1   2   2
                37.57          3.82        2.3919    1   1   4
                38.29         10.98        2.3484    2   1   3
                39.18          1.43        2.2974    2   2   0
                40.03          2.99        2.2506    2   2   1
                41.39          3.39        2.1797    2   0   4
                41.69          2.40        2.1644    3   1   0
                42.34          2.59        2.1327    1   0   5
                42.49          3.49        2.1256    2   2   2
                42.50          1.80        2.1252    3   1   1
                43.74          2.57        2.0679    0   2   4
                44.05         10.43        2.0538    2   1   4
                44.28          1.44        2.0436    0   3   0
                44.85          2.39        2.0190    3   1   2
                44.96          8.29        2.0143    1   1   5
                45.74          3.51        1.9818    1   2   4
                46.11          2.76        1.9667    3   0   3
                46.27          3.67        1.9604    1   3   0
                46.36          9.56        1.9569    2   2   3
                47.31          3.09        1.9198    0   3   2
                48.57          4.50        1.8727    3   1   3
                48.71          1.05        1.8676    0   0   6
                49.20          1.24        1.8504    1   3   2
                49.31          2.33        1.8466    3   2   0
                50.02          2.37        1.8220    3   2   1
                50.40          3.38        1.8091    0   2   5
                50.68         10.63        1.7997    2   1   5
                50.89          6.78        1.7928    0   3   3
                51.88          9.79        1.7609    2   3   0
                52.20          1.12        1.7506    1   2   5
                52.56          5.03        1.7396    2   3   1
                52.68          2.83        1.7358    1   3   3
                52.71          9.23        1.7351    4   0   0
                53.45          5.74        1.7128    3   1   4
                54.58          3.85        1.6799    2   3   2
                55.38          1.69        1.6574    4   0   2
                55.46          1.66        1.6553    3   2   3
                55.61          1.75        1.6513    4   1   1
                55.86          1.25        1.6445    2   0   6
                57.18          1.20        1.6097    3   0   5
                57.39          1.92        1.6042    2   2   5
                57.55          1.19        1.6000    4   1   2
                57.76          4.53        1.5949    0   2   6
                58.01          6.01        1.5884    2   1   6
                59.41          1.76        1.5544    1   2   6
                61.27          2.77        1.5117    1   1   7
                62.56          2.74        1.4834    1   4   1
                62.85          1.03        1.4774    3   3   2
                63.78          3.41        1.4579    4   2   2
                65.43          1.22        1.4251    3   2   5
                65.85          1.07        1.4171    3   3   3
                66.72          1.14        1.4007    0   0   8
                68.99          3.16        1.3601    2   4   2
                69.90          1.27        1.3446    0   4   4
                69.93          3.98        1.3440    5   1   1
                71.23          1.23        1.3226    4   3   0
                71.83          3.02        1.3131    3   2   6
                73.91          1.37        1.2812    2   3   6
                74.40          1.06        1.2740    0   2   8
                74.63          1.23        1.2707    2   1   8
                74.71          5.32        1.2695    3   4   1
                76.81          1.03        1.2399    1   3   7
                79.11          1.55        1.2096    3   2   7
                80.19          1.05        1.1959    2   2   8
                81.99          1.42        1.1742    4   2   6
                83.50          1.01        1.1567    6   0   0
                83.56          1.12        1.1561    2   5   0
                89.28          1.05        1.0962    2   3   8
                89.28          1.05        1.0962    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.