Materials Data on ZnFePb by Materials Project

Abstract

FeZnPb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Fe is bonded to four equivalent Pb atoms to form distorted FePb4 tetrahedra that share corners with four equivalent ZnPb4 tetrahedra, corners with twelve equivalent FePb4 tetrahedra, and edges with six equivalent ZnPb4 tetrahedra. All Fe–Pb bond lengths are 2.69 Å. Zn is bonded to four equivalent Pb atoms to form distorted ZnPb4 tetrahedra that share corners with four equivalent FePb4 tetrahedra, corners with twelve equivalent ZnPb4 tetrahedra, and edges with six equivalent FePb4 tetrahedra. All Zn–Pb bond lengths are 2.69 Å. Pb is bonded in a body-centered cubic geometry to four equivalent Fe and four equivalent Zn atoms.