Materials Data on Pd3Au by Materials Project

Abstract

Pd3Au is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd is bonded to eight equivalent Pd and four equivalent Au atoms to form PdPd8Au4 cuboctahedra that share corners with twelve equivalent PdPd8Au4 cuboctahedra, edges with eight equivalent AuPd12 cuboctahedra, edges with sixteen equivalent PdPd8Au4 cuboctahedra, faces with four equivalent AuPd12 cuboctahedra, and faces with fourteen equivalent PdPd8Au4 cuboctahedra. All Pd–Pd bond lengths are 2.83 Å. All Pd–Au bond lengths are 2.83 Å. Au is bonded to twelve equivalent Pd atoms to form AuPd12 cuboctahedra that share corners with twelve equivalent AuPd12 cuboctahedra, edges with twenty-four equivalent PdPd8Au4 cuboctahedra, faces with six equivalent AuPd12 cuboctahedra, and faces with twelve equivalent PdPd8Au4 cuboctahedra.