Materials Data on TaOsPb by Materials Project

Abstract

TaOsPb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ta is bonded in a body-centered cubic geometry to four equivalent Os and four equivalent Pb atoms. All Ta–Os bond lengths are 2.77 Å. All Ta–Pb bond lengths are 2.77 Å. Os is bonded to four equivalent Ta atoms to form distorted OsTa4 tetrahedra that share corners with four equivalent PbTa4 tetrahedra, corners with twelve equivalent OsTa4 tetrahedra, and edges with six equivalent PbTa4 tetrahedra. Pb is bonded to four equivalent Ta atoms to form PbTa4 tetrahedra that share corners with four equivalent OsTa4 tetrahedra, corners with twelve equivalent PbTa4 tetrahedra, and edges with six equivalent OsTa4 tetrahedra.