Portlandite
      Xu H, Zhao Y, Zhang J, Hickmott D D, Daemen L L
      Physics and Chemistry of Minerals 34 (2007) 223-232
      In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high
      pressure and temperature
      Sample: P = 2.35 GPa
      _database_code_amcsd 0009074

      CELL PARAMETERS:    3.5341   3.5341   4.6861   90.000   90.000  120.000
      SPACE GROUP: P-3m1     
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:     50.687
      Density (g/cm3):      2.427
      MAX. ABS. INTENSITY / VOLUME**2:      25.03965257    
      RIR:      3.359
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                18.94         54.76        4.6861    0   0   1         2
                29.18         16.57        3.0606    1   0   0         6
                35.02          2.44        2.5625    1   0   1         6
                35.02         97.56        2.5625    0   1   1         6
                48.96         17.97        1.8605    1   0   2         6
                48.96         18.88        1.8605    0   1   2         6
                51.73         25.65        1.7671    1   1   0         6
                55.58         11.55        1.6534    1   1   1        12
                59.15          1.25        1.5620    0   0   3         2
                60.50          1.49        1.5303    2   0   0         6
                64.00          8.83        1.4547    2   0   1         6
                67.30          7.18        1.3913    1   0   3         6
                73.98          3.35        1.2812    2   0   2         6
                73.98          3.07        1.2812    0   2   2         6
                82.30          1.12        1.1715    0   0   4         2
                82.40          1.88        1.1703    1   1   3        12
                86.70          1.65        1.1231    1   2   1        12
                89.70          2.27        1.0931    0   2   3         6
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       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.