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 = 3.40 GPa
_database_code_amcsd 0009076
3.5175 3.5175 4.6186 90 90 120 P-3m1
atom    x    y     z occ Uiso
Ca      0    0     0     .034
O     1/3  2/3  .243     .013
D    .401 .802  .421 1/3 .067