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 = 4.53 GPa
      _database_code_amcsd 0009077

      CELL PARAMETERS:    3.5002   3.5002   4.5646   90.000   90.000  120.000
      SPACE GROUP: P-3m1     
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:     48.431
      Density (g/cm3):      2.540
      MAX. ABS. INTENSITY / VOLUME**2:      25.26466294    
      RIR:      3.239
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                19.45         60.43        4.5646    0   0   1         2
                29.47         18.00        3.0313    1   0   0         6
                35.55          2.29        2.5252    1   0   1         6
                35.55         97.71        2.5252    0   1   1         6
                50.03         16.39        1.8233    1   0   2         6
                50.03         20.79        1.8233    0   1   2         6
                52.27         26.19        1.7501    1   1   0         6
                56.30         13.36        1.6341    1   1   1        12
                61.15          1.68        1.5156    2   0   0         6
                64.82          8.76        1.4384    2   0   1         6
                69.07          7.37        1.3598    1   0   3         6
                75.26          2.88        1.2626    0   2   2         6
                75.26          3.78        1.2626    2   0   2         6
                84.35          1.56        1.1483    1   1   3        12
                85.00          1.06        1.1411    0   0   4         2
                87.85          1.68        1.1112    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.