Materials Data on Ni3Bi by Materials Project

Abstract

Ni3Bi 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 Bi atoms to form NiNi8Bi4 cuboctahedra that share corners with twelve equivalent NiNi8Bi4 cuboctahedra, edges with eight equivalent BiNi12 cuboctahedra, edges with sixteen equivalent NiNi8Bi4 cuboctahedra, faces with four equivalent BiNi12 cuboctahedra, and faces with fourteen equivalent NiNi8Bi4 cuboctahedra. All Ni–Ni bond lengths are 2.70 Å. All Ni–Bi bond lengths are 2.70 Å. Bi is bonded to twelve equivalent Ni atoms to form BiNi12 cuboctahedra that share corners with twelve equivalent BiNi12 cuboctahedra, edges with twenty-four equivalent NiNi8Bi4 cuboctahedra, faces with six equivalent BiNi12 cuboctahedra, and faces with twelve equivalent NiNi8Bi4 cuboctahedra.