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 = .78 GPa
      _database_code_amcsd 0009071

      CELL PARAMETERS:    3.5592   3.5592   4.8155   90.000   90.000  120.000
      SPACE GROUP: P-3m1     
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:     52.830
      Density (g/cm3):      2.329
      MAX. ABS. INTENSITY / VOLUME**2:      25.58285370    
      RIR:      3.577
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                18.42         58.25        4.8155    0   0   1         2
                28.97         18.19        3.0824    1   0   0         6
                34.55          3.54        2.5961    1   0   1         6
                34.55         96.46        2.5961    0   1   1         6
                47.94         19.48        1.8975    1   0   2         6
                47.94         22.55        1.8975    0   1   2         6
                51.34         27.13        1.7796    1   1   0         6
                55.01         15.29        1.6693    1   1   1        12
                57.41          1.61        1.6052    0   0   3         2
                60.03          2.56        1.5412    2   0   0         6
                63.36          1.01        1.4678    0   2   1         6
                63.36         10.16        1.4678    2   0   1         6
                65.19          1.60        1.4311    1   1   2        12
                65.57          9.22        1.4237    1   0   3         6
                65.57          1.41        1.4237    0   1   3         6
                72.87          4.71        1.2980    2   0   2         6
                72.87          4.03        1.2980    0   2   2         6
                79.64          1.52        1.2039    0   0   4         2
                80.60          3.20        1.1919    1   1   3        12
                85.81          2.22        1.1324    1   2   1        12
                86.86          1.30        1.1214    1   0   4         6
                87.81          3.28        1.1117    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.