Materials Data on Cu3PdN by Materials Project

Abstract

Cu3PdN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd is bonded to twelve equivalent Cu atoms to form PdCu12 cuboctahedra that share corners with twelve equivalent PdCu12 cuboctahedra, faces with six equivalent PdCu12 cuboctahedra, and faces with eight equivalent NCu6 octahedra. All Pd–Cu bond lengths are 2.74 Å. Cu is bonded in a linear geometry to four equivalent Pd and two equivalent N atoms. Both Cu–N bond lengths are 1.94 Å. N is bonded to six equivalent Cu atoms to form NCu6 octahedra that share corners with six equivalent NCu6 octahedra and faces with eight equivalent PdCu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.