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
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 .7659  .0032  .0032  .0049  .0016      0      0
H1   1/3 2/3 .5715  .0346  .0346  .0107  .0173      0      0
Ca1    0   0     0  .0016  .0016  .0062  .0008      0      0