Portlandite
Busing W, Levy H
Journal of Chemical Physics 26 (1957) 563-568
Neutron diffraction study of calcium hydroxide
_cod_database_code 1008781
_database_code_amcsd 0016656
3.5918 3.5918 4.9063 90 90 120 P-3m1
atom   x   y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca1    0   0     0    .70    .70   1.25    .35      0      0
O1   1/3 2/3 .2341    .73    .73    .93    .37      0      0
H1   1/3 2/3 .4248   4.23   4.23   1.34   2.12      0      0