Materials Data on VPd4 by Materials Project

Abstract

VPd4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. V is bonded to six equivalent Pd atoms to form distorted VPd6 cuboctahedra that share corners with six equivalent PdPd12 cuboctahedra, edges with six equivalent VPd6 cuboctahedra, and edges with six equivalent PdPd12 cuboctahedra. All V–Pd bond lengths are 2.65 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to three equivalent V and three equivalent Pd atoms to form a mixture of distorted edge and corner-sharing PdV3Pd3 cuboctahedra. All Pd–Pd bond lengths are 2.85 Å. In the second Pd site, Pd is bonded to twelve Pd atoms to form PdPd12 cuboctahedra that share corners with three equivalent VPd6 cuboctahedra, corners with fifteen PdV3Pd3 cuboctahedra, edges with three equivalent VPd6 cuboctahedra, edges with twenty-one PdV3Pd3 cuboctahedra, and faces with twelve equivalent PdPd12 cuboctahedra. There are six shorter (2.77 Å) and three longer (2.82 Å) Pd–Pd bond lengths.