Materials Data on IrPbBr by Materials Project

Abstract

IrPbBr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ir is bonded to four equivalent Pb atoms to form IrPb4 tetrahedra that share corners with four equivalent BrPb4 tetrahedra, corners with twelve equivalent IrPb4 tetrahedra, and edges with six equivalent BrPb4 tetrahedra. All Ir–Pb bond lengths are 2.97 Å. Pb is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Br atoms. All Pb–Br bond lengths are 2.97 Å. Br is bonded to four equivalent Pb atoms to form BrPb4 tetrahedra that share corners with four equivalent IrPb4 tetrahedra, corners with twelve equivalent BrPb4 tetrahedra, and edges with six equivalent IrPb4 tetrahedra.