Materials Data on ZnNi3 by Materials Project

Abstract

ZnNi3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni is bonded to eight equivalent Ni and four equivalent Zn atoms to form NiZn4Ni8 cuboctahedra that share corners with twelve equivalent NiZn4Ni8 cuboctahedra, edges with eight equivalent ZnNi12 cuboctahedra, edges with sixteen equivalent NiZn4Ni8 cuboctahedra, faces with four equivalent ZnNi12 cuboctahedra, and faces with fourteen equivalent NiZn4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.52 Å. All Ni–Zn bond lengths are 2.52 Å. Zn is bonded to twelve equivalent Ni atoms to form ZnNi12 cuboctahedra that share corners with twelve equivalent ZnNi12 cuboctahedra, edges with twenty-four equivalent NiZn4Ni8 cuboctahedra, faces with six equivalent ZnNi12 cuboctahedra, and faces with twelve equivalent NiZn4Ni8 cuboctahedra.