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 = 2.44 GPa
      _database_code_amcsd 0009075

      CELL PARAMETERS:    3.5317   3.5317   4.6775   90.000   90.000  120.000
      SPACE GROUP: P-3m1     
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:     50.526
      Density (g/cm3):      2.435
      MAX. ABS. INTENSITY / VOLUME**2:      24.68482470    
      RIR:      3.301
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                18.97         54.82        4.6775    0   0   1         2
                29.20         16.25        3.0585    1   0   0         6
                35.05          2.21        2.5599    1   0   1         6
                35.05         97.79        2.5599    0   1   1         6
                49.03         17.67        1.8578    1   0   2         6
                49.03         18.39        1.8578    0   1   2         6
                51.77         25.26        1.7658    1   1   0         6
                55.63         10.93        1.6520    1   1   1        12
                59.27          1.18        1.5592    0   0   3         2
                60.54          1.31        1.5293    2   0   0         6
                64.06          8.54        1.4536    2   0   1         6
                67.42          6.89        1.3891    1   0   3         6
                74.07          3.14        1.2799    2   0   2         6
                74.07          2.89        1.2799    0   2   2         6
                82.49          1.06        1.1694    0   0   4         2
                82.54          1.66        1.1688    1   1   3        12
                86.78          1.54        1.1223    1   2   1        12
                89.84          2.12        1.0918    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.