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 1001788
_database_code_amcsd 0009877
3.589 3.589 4.911 90 90 120 P-3m1
atom     x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
O1     1/3   2/3 .7658       .0031  .0031  .0044 .00155      0      0
H1   .3599 .7198 .5725 .333  .0204  .0204  .0113  .0136  .0014 -.0014
Ca1      0     0     0       .0015  .0015  .0061 .00075      0      0