Materials Data on PdAu3 by Materials Project

Abstract

PdAu3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd is bonded to twelve equivalent Au atoms to form PdAu12 cuboctahedra that share corners with twelve equivalent PdAu12 cuboctahedra, edges with twenty-four equivalent AuPd4Au8 cuboctahedra, faces with six equivalent PdAu12 cuboctahedra, and faces with twelve equivalent AuPd4Au8 cuboctahedra. All Pd–Au bond lengths are 2.91 Å. Au is bonded to four equivalent Pd and eight equivalent Au atoms to form AuPd4Au8 cuboctahedra that share corners with twelve equivalent AuPd4Au8 cuboctahedra, edges with eight equivalent PdAu12 cuboctahedra, edges with sixteen equivalent AuPd4Au8 cuboctahedra, faces with four equivalent PdAu12 cuboctahedra, and faces with fourteen equivalent AuPd4Au8 cuboctahedra. All Au–Au bond lengths are 2.91 Å.