Portlandite
Xu H, Zhao Y, Zhang J, Hickmott D D, Daemen L L
Physics and Chemistry of Minerals 34 (2007) 223-232
In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high
pressure and temperature
Sample: P = .15 GPa
_database_code_amcsd 0009070
3.5692 3.5692 4.8758 90 90 120 P-3m1
atom    x    y     z occ Uiso
Ca      0    0     0     .003
O     1/3  2/3 .2382     .021
D    .367 .734 .4268 1/3 .024