Materials Data on NaIrPb by Materials Project

Abstract

NaIrPb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Na is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Pb atoms. All Na–Ir bond lengths are 2.81 Å. All Na–Pb bond lengths are 2.81 Å. Ir is bonded to four equivalent Na atoms to form IrNa4 tetrahedra that share corners with four equivalent PbNa4 tetrahedra, corners with twelve equivalent IrNa4 tetrahedra, and edges with six equivalent PbNa4 tetrahedra. Pb is bonded to four equivalent Na atoms to form PbNa4 tetrahedra that share corners with four equivalent IrNa4 tetrahedra, corners with twelve equivalent PbNa4 tetrahedra, and edges with six equivalent IrNa4 tetrahedra.