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 = 2.35 GPa
_database_code_amcsd 0009074
3.5341 3.5341 4.6861 90 90 120 P-3m1
atom    x    y     z occ Uiso
Ca      0    0     0     .028
O     1/3  2/3 .2449     .013
D    .375 .750  .432 1/3 .049