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 1001787
_database_code_amcsd 0009876
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 .7663       .0083  .0083  .0105 .00415      0      0
H1   .3606 .7212 .5762 .333  .0353  .0353  .0162  .0187  .0025 -.0025
Ca1      0     0     0       .0041  .0041  .0145 .00205      0      0