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 1001768
_database_code_amcsd 0009874
3.589 3.589 4.911 90 90 120 P-3m1
atom   x   y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
O1   1/3 2/3 .7663  .0082  .0082  .0106 .00410      0      0
H1   1/3 2/3 .5744   .051   .051  .0157  .0255      0      0
Ca1    0   0     0  .0042  .0042  .0145 .00210      0      0