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 = 2.44 GPa
_database_code_amcsd 0009075
3.5317 3.5317 4.6775 90 90 120 P-3m1
atom    x    y     z occ Uiso
Ca      0    0     0     .033
O     1/3  2/3 .2455     .012
D    .381 .762  .431 1/3 .055