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 = .07 GPa
      _database_code_amcsd 0009069

      CELL PARAMETERS:    3.5717   3.5700   4.8743   90.000   90.000  120.000
      SPACE GROUP: P-3m1     
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:     53.825
      Density (g/cm3):      2.285
      MAX. ABS. INTENSITY / VOLUME**2:      16.93368114    
      RIR:      2.413
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                18.20         89.07        4.8743    0   0   1         2
                28.86          8.92        3.0932    1   0   0         6
                28.87          8.91        3.0924   -1   1   0         6
                28.88          8.90        3.0917    0   1   0         6
                34.34         94.87        2.6117    1  -1   1         6
                34.34          5.13        2.6113    1   0   1         6
                34.35         47.38        2.6108    0   1   1         6
                36.88          1.25        2.4372    0   0   2         2
                47.50         34.36        1.9143    0   1   2         6
                47.50         28.67        1.9142    1   0   2         6
                51.15         26.64        1.7858    1   1   0         6
                51.17         13.29        1.7850   -1   2   0         6
                54.74         15.26        1.6768    1   1   1        12
                54.77          7.62        1.6761   -1   2   1        12
                56.65          2.35        1.6248    0   0   3         2
                59.81          3.78        1.5462    2   0   0         6
                63.08         14.93        1.4738    2   0   1         6
                64.71          2.44        1.4405    1   1   2        12
                64.82          2.25        1.4384    0   1   3         6
                64.82         14.02        1.4383    1   0   3         6
                72.36          5.89        1.3058    0   2   2         6
                72.38          7.07        1.3056    2   0   2         6
                78.49          2.28        1.2186    0   0   4         2
                79.80          4.63        1.2018    1   1   3        12
                82.54          1.01        1.1687    2   1   0        12
                85.41          3.24        1.1367    1   2   1        12
                85.68          2.06        1.1337    1   0   4         6
                86.97          4.88        1.1202    0   2   3         6
                86.99          1.07        1.1201    2   0   3         6
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.