Materials Data on ZrPtPb by Materials Project

Abstract

ZrPtPb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a body-centered cubic geometry to four equivalent Pt and four equivalent Pb atoms. All Zr–Pt bond lengths are 2.90 Å. All Zr–Pb bond lengths are 2.90 Å. Pt is bonded to four equivalent Zr atoms to form PtZr4 tetrahedra that share corners with four equivalent PbZr4 tetrahedra, corners with twelve equivalent PtZr4 tetrahedra, and edges with six equivalent PbZr4 tetrahedra. Pb is bonded to four equivalent Zr atoms to form PbZr4 tetrahedra that share corners with four equivalent PtZr4 tetrahedra, corners with twelve equivalent PbZr4 tetrahedra, and edges with six equivalent PtZr4 tetrahedra.