Materials Data on NbIr3 by Materials Project

Abstract

Ir3Nb is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nb is bonded to twelve equivalent Ir atoms to form NbIr12 cuboctahedra that share corners with twelve equivalent NbIr12 cuboctahedra, edges with twenty-four equivalent IrNb4Ir8 cuboctahedra, faces with six equivalent NbIr12 cuboctahedra, and faces with twelve equivalent IrNb4Ir8 cuboctahedra. All Nb–Ir bond lengths are 2.78 Å. Ir is bonded to four equivalent Nb and eight equivalent Ir atoms to form distorted IrNb4Ir8 cuboctahedra that share corners with twelve equivalent IrNb4Ir8 cuboctahedra, edges with eight equivalent NbIr12 cuboctahedra, edges with sixteen equivalent IrNb4Ir8 cuboctahedra, faces with four equivalent NbIr12 cuboctahedra, and faces with fourteen equivalent IrNb4Ir8 cuboctahedra. All Ir–Ir bond lengths are 2.78 Å.