Materials Data on Ca2PdWO6 by Materials Project

Abstract

Ca2WPdO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca2+ is bonded to twelve equivalent O2- atoms to form CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra, faces with six equivalent CaO12 cuboctahedra, faces with four equivalent WO6 octahedra, and faces with four equivalent PdO6 octahedra. All Ca–O bond lengths are 2.88 Å. W6+ is bonded to six equivalent O2- atoms to form WO6 octahedra that share corners with six equivalent PdO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All W–O bond lengths are 1.93 Å. Pd2+ is bonded to six equivalent O2- atoms to form PdO6 octahedra that share corners with six equivalent WO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pd–O bond lengths are 2.14 Å. O2- is bonded in a distorted linear geometry to four equivalent Ca2+, one W6+, and one Pd2+ atom.