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 = 3.40 GPa
      _database_code_amcsd 0009076

      CELL PARAMETERS:    3.5175   3.5175   4.6186   90.000   90.000  120.000
      SPACE GROUP: P-3m1     
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:     49.489
      Density (g/cm3):      2.486
      MAX. ABS. INTENSITY / VOLUME**2:      24.65283845    
      RIR:      3.229
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                19.22         57.25        4.6186    0   0   1         2
                29.32         16.87        3.0462    1   0   0         6
                35.30          2.09        2.5429    1   0   1         6
                35.30         97.91        2.5429    0   1   1         6
                49.53         16.94        1.8403    1   0   2         6
                49.53         18.91        1.8403    0   1   2         6
                52.00         25.27        1.7587    1   1   0         6
                55.94         11.47        1.6436    1   1   1        12
                60.10          1.06        1.5395    0   0   3         2
                60.81          1.35        1.5231    2   0   0         6
                64.41          8.39        1.4465    2   0   1         6
                68.26          6.79        1.3740    1   0   3         6
                74.65          2.75        1.2715    0   2   2         6
                74.65          3.22        1.2715    2   0   2         6
                83.44          1.49        1.1584    1   1   3        12
                87.27          1.51        1.1172    1   2   1        12
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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.