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 = .15 GPa
      _database_code_amcsd 0009070

      CELL PARAMETERS:    3.5692   3.5692   4.8758   90.000   90.000  120.000
      SPACE GROUP: P-3m1     
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:     53.792
      Density (g/cm3):      2.287
      MAX. ABS. INTENSITY / VOLUME**2:      25.30259301    
      RIR:      3.603
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                18.19         59.70        4.8758    0   0   1         2
                28.88         18.30        3.0910    1   0   0         6
                34.35         96.35        2.6106    0   1   1         6
                34.35          3.65        2.6106    1   0   1         6
                47.50         19.85        1.9142    1   0   2         6
                47.50         23.46        1.9142    0   1   2         6
                51.19         27.28        1.7846    1   1   0         6
                54.78         15.89        1.6759    1   1   1        12
                56.63          1.69        1.6253    0   0   3         2
                59.84          2.72        1.5455    2   0   0         6
                63.10         10.37        1.4733    2   0   1         6
                63.10          1.13        1.4733    0   2   1         6
                64.74          1.85        1.4400    1   1   2        12
                64.81          1.62        1.4385    0   1   3         6
                64.81          9.75        1.4385    1   0   3         6
                72.40          4.20        1.3053    0   2   2         6
                72.40          4.97        1.3053    2   0   2         6
                78.46          1.62        1.2190    0   0   4         2
                79.82          3.45        1.2016    1   1   3        12
                85.46          2.31        1.1361    1   2   1        12
                85.66          1.50        1.1340    1   0   4         6
                87.00          3.48        1.1200    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.