Materials Data on CeIrPt by Materials Project

Abstract

CeIrPt is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to six equivalent Ir and six equivalent Pt atoms. There are four shorter (3.17 Å) and two longer (3.19 Å) Ce–Ir bond lengths. All Ce–Pt bond lengths are 3.20 Å. Ir is bonded to six equivalent Ce, two equivalent Ir, and four equivalent Pt atoms to form IrCe6Ir2Pt4 cuboctahedra that share corners with eight equivalent PtCe6Ir4Pt2 cuboctahedra, corners with ten equivalent IrCe6Ir2Pt4 cuboctahedra, edges with six equivalent IrCe6Ir2Pt4 cuboctahedra, faces with six equivalent IrCe6Ir2Pt4 cuboctahedra, and faces with twelve equivalent PtCe6Ir4Pt2 cuboctahedra. Both Ir–Ir bond lengths are 2.74 Å. All Ir–Pt bond lengths are 2.72 Å. Pt is bonded to six equivalent Ce, four equivalent Ir, and two equivalent Pt atoms to form PtCe6Ir4Pt2 cuboctahedra that share corners with eight equivalent IrCe6Ir2Pt4 cuboctahedra, corners with ten equivalent PtCe6Ir4Pt2 cuboctahedra, edges with six equivalent PtCe6Ir4Pt2 cuboctahedra, faces with six equivalent PtCe6Ir4Pt2 cuboctahedra, and faces with twelve equivalent IrCe6Ir2Pt4 cuboctahedra. Both Pt–Pt bond lengths are 2.69 Å.