Materials Data on NiAu3 by Materials Project

Abstract

Au3Ni is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni3+ is bonded to twelve equivalent Au1- atoms to form NiAu12 cuboctahedra that share corners with twelve equivalent NiAu12 cuboctahedra, edges with twenty-four equivalent AuNi4Au8 cuboctahedra, faces with six equivalent NiAu12 cuboctahedra, and faces with twelve equivalent AuNi4Au8 cuboctahedra. All Ni–Au bond lengths are 2.85 Å. Au1- is bonded to four equivalent Ni3+ and eight equivalent Au1- atoms to form distorted AuNi4Au8 cuboctahedra that share corners with twelve equivalent AuNi4Au8 cuboctahedra, edges with eight equivalent NiAu12 cuboctahedra, edges with sixteen equivalent AuNi4Au8 cuboctahedra, faces with four equivalent NiAu12 cuboctahedra, and faces with fourteen equivalent AuNi4Au8 cuboctahedra. All Au–Au bond lengths are 2.85 Å.