Portlandite
      Desgranges L, Grebille D, Calvarin g, Chevrier G, Floquet N, Niepce J
      Acta Crystallographica B49 (1993) 812-817
      Hydrogen thermal motion in calcium hydroxide: Ca (O H)2
      _cod_database_code 1001769
      _database_code_amcsd 0009875

      CELL PARAMETERS:    3.5890   3.5890   4.9110   90.000   90.000  120.000
      SPACE GROUP: P-3m1     
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:     54.783
      Density (g/cm3):      2.246
      MAX. ABS. INTENSITY / VOLUME**2:      25.25582270    
      RIR:      3.662
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                18.06         61.35        4.9110    0   0   1         2
                28.72         16.95        3.1082    1   0   0         6
                34.14         97.31        2.6264    1   0   1         6
                34.14          2.69        2.6264    0   1   1         6
                47.17         25.54        1.9268    1   0   2         6
                47.17         19.26        1.9268    0   1   2         6
                50.88         29.44        1.7945    1   1   0         6
                54.44         16.27        1.6855    1   1   1        12
                56.19          1.40        1.6370    0   0   3         2
                59.48          2.31        1.5541    2   0   0         6
                62.71         11.29        1.4817    0   2   1         6
                64.29          1.17        1.4488    1   1   2        12
                64.32          1.42        1.4484    1   0   3         6
                64.32         11.11        1.4484    0   1   3         6
                71.90          4.22        1.3132    2   0   2         6
                71.90          5.63        1.3132    0   2   2         6
                77.79          1.83        1.2277    0   0   4         2
                79.20          2.84        1.2094    1   1   3        12
                84.87          2.64        1.1425    2   1   1        12
                84.93          1.57        1.1419    0   1   4         6
                86.31          4.16        1.1271    2   0   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.