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 = 1.61 GPa
_database_code_amcsd 0009072
3.5462 3.5462 4.7428 90 90 120 P-3m1
atom    x    y     z occ Uiso
Ca      0    0     0     .019
O     1/3  2/3 .2421     .015
D    .374 .748 .4299 1/3 .031