Materials Data on NbFe3 by Materials Project

Abstract

Fe3Nb is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nb is bonded to twelve equivalent Fe atoms to form NbFe12 cuboctahedra that share corners with twelve equivalent NbFe12 cuboctahedra, edges with twenty-four equivalent FeNb4Fe8 cuboctahedra, faces with six equivalent NbFe12 cuboctahedra, and faces with twelve equivalent FeNb4Fe8 cuboctahedra. All Nb–Fe bond lengths are 2.64 Å. Fe is bonded to four equivalent Nb and eight equivalent Fe atoms to form FeNb4Fe8 cuboctahedra that share corners with twelve equivalent FeNb4Fe8 cuboctahedra, edges with eight equivalent NbFe12 cuboctahedra, edges with sixteen equivalent FeNb4Fe8 cuboctahedra, faces with four equivalent NbFe12 cuboctahedra, and faces with fourteen equivalent FeNb4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.64 Å.