Materials Data on Nb3Ni by Materials Project

Abstract

Nb3Ni is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nb is bonded to eight equivalent Nb and four equivalent Ni atoms to form NbNb8Ni4 cuboctahedra that share corners with twelve equivalent NbNb8Ni4 cuboctahedra, edges with eight equivalent NiNb12 cuboctahedra, edges with sixteen equivalent NbNb8Ni4 cuboctahedra, faces with four equivalent NiNb12 cuboctahedra, and faces with fourteen equivalent NbNb8Ni4 cuboctahedra. All Nb–Nb bond lengths are 2.86 Å. All Nb–Ni bond lengths are 2.86 Å. Ni is bonded to twelve equivalent Nb atoms to form NiNb12 cuboctahedra that share corners with twelve equivalent NiNb12 cuboctahedra, edges with twenty-four equivalent NbNb8Ni4 cuboctahedra, faces with six equivalent NiNb12 cuboctahedra, and faces with twelve equivalent NbNb8Ni4 cuboctahedra.