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 = .07 GPa _database_code_amcsd 0009069 3.5717 3.57 4.8743 90 90 120 P-3m1 atom x y z occ Uiso Ca 0 0 0 .006 O 1/3 2/3 .2376 .021 D .369 .738 .4269 1/3 .019