Materials Data on MgNb3 by Materials Project

Abstract

MgNb3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Nb atoms to form MgNb12 cuboctahedra that share corners with twelve equivalent MgNb12 cuboctahedra, edges with twenty-four equivalent NbMg4Nb8 cuboctahedra, faces with six equivalent MgNb12 cuboctahedra, and faces with twelve equivalent NbMg4Nb8 cuboctahedra. All Mg–Nb bond lengths are 2.97 Å. Nb is bonded to four equivalent Mg and eight equivalent Nb atoms to form NbMg4Nb8 cuboctahedra that share corners with twelve equivalent NbMg4Nb8 cuboctahedra, edges with eight equivalent MgNb12 cuboctahedra, edges with sixteen equivalent NbMg4Nb8 cuboctahedra, faces with four equivalent MgNb12 cuboctahedra, and faces with fourteen equivalent NbMg4Nb8 cuboctahedra. All Nb–Nb bond lengths are 2.97 Å.