MgSi(OH)6
      Wunder B, Jahn S, Koch-Muller M, Speziale S
      American Mineralogist 97 (2012) 1043-1048
      The 3.65 A phase, MgSi(OH)6: structural insights from
      DFT-calculations and T-dependent IR spectroscopy
      Note: theoretical structure, LDA from P2_12_12_1
      _database_code_amcsd 0019161

      CELL PARAMETERS:    4.9760   5.0230   7.1150   90.000   89.890   90.000
      SPACE GROUP: P2_12_12_1
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    177.835
      Density (g/cm3):      5.767
      MAX. ABS. INTENSITY / VOLUME**2:      38.05479719    
      RIR:      2.148
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                25.03         60.76        3.5575    0   0   2         2
                25.19        100.00        3.5351    1   1   0         4
                28.17          2.04        3.1676    1   1   1         4
                28.20          2.03        3.1641   -1   1   1         4
                35.75         11.08        2.5115    0   2   0         2
                35.78          4.74        2.5093    1   1   2         4
                35.84          4.73        2.5059   -1   1   2         4
                36.10          2.75        2.4880    2   0   0         2
                40.22          8.61        2.2421    1   2   0         4
                40.46         24.88        2.2295    2   1   0         4
                44.39          4.76        2.0407    2   0   2         4
                44.48          4.73        2.0370   -2   0   2         4
                47.94          5.83        1.8976    1   2   2         4
                47.98          5.81        1.8961   -1   2   2         4
                48.13          1.76        1.8906    2   1   2         4
                48.21          1.75        1.8877   -2   1   2         4
                51.37         10.56        1.7787    0   0   4         2
                51.72         16.22        1.7675    2   2   0         4
                58.01         11.41        1.5898    1   1   4         4
                58.08         11.36        1.5881   -1   1   4         4
                58.13         19.62        1.5869    1   3   0         4
                58.26          8.67        1.5838    2   2   2         4
                58.33          8.63        1.5821   -2   2   2         4
                58.61          7.35        1.5750    3   1   0         4
                64.16          9.58        1.4516    0   2   4         4
                64.26          5.22        1.4496    1   3   2         4
                64.29          5.21        1.4489   -1   3   2         4
                64.32          2.60        1.4483    2   0   4         4
                64.45          2.59        1.4457   -2   0   4         4
                64.68         11.28        1.4412    3   1   2         4
                64.78         11.22        1.4392   -3   1   2         4
                75.75          1.30        1.2557    0   4   0         2
                75.82          2.83        1.2546    2   2   4         4
                75.95          2.81        1.2529   -2   2   4         4
                78.57          1.73        1.2176    1   4   0         4
                81.21          2.90        1.1845    1   3   4         4
                81.27          2.89        1.1838   -1   3   4         4
                81.56          1.09        1.1803    3   1   4         4
                81.74          1.09        1.1781   -3   1   4         4
                82.01          1.46        1.1750    4   0   2         4
                82.13          1.45        1.1736   -4   0   2         4
                86.54          1.62        1.1247    1   1   6         4
                86.63          1.61        1.1238   -1   1   6         4
                86.89          2.68        1.1211    2   4   0         4
                87.09          1.04        1.1190    3   3   2         4
                87.18          1.04        1.1181   -3   3   2         4
                87.51          1.55        1.1147    4   2   0         4
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.