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 = 1.61 GPa
      _database_code_amcsd 0009072

      CELL PARAMETERS:    3.5462   3.5462   4.7428   90.000   90.000  120.000
      SPACE GROUP: P-3m1     
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:     51.653
      Density (g/cm3):      2.382
      MAX. ABS. INTENSITY / VOLUME**2:      25.23689373    
      RIR:      3.450
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                18.71         56.49        4.7428    0   0   1         2
                29.08         17.14        3.0711    1   0   0         6
                34.80          2.81        2.5779    1   0   1         6
                34.80         97.19        2.5779    0   1   1         6
                48.50         18.50        1.8770    1   0   2         6
                48.50         20.49        1.8770    0   1   2         6
                51.54         26.35        1.7731    1   1   0         6
                55.31         13.03        1.6608    1   1   1        12
                58.37          1.36        1.5809    0   0   3         2
                60.27          1.86        1.5355    2   0   0         6
                63.70          9.37        1.4609    2   0   1         6
                66.52          8.03        1.4056    1   0   3         6
                73.47          3.89        1.2889    2   0   2         6
                73.47          3.41        1.2889    0   2   2         6
                81.11          1.27        1.1857    0   0   4         2
                81.58          2.29        1.1800    1   1   3        12
                86.27          1.85        1.1275    1   2   1        12
                88.84          2.66        1.1015    0   2   3         6
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.