Materials Data on CeIrOs by Materials Project

Abstract

CeOsIr is Cubic 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 Os and six equivalent Ir atoms. There are four shorter (3.18 Å) and two longer (3.24 Å) Ce–Os bond lengths. There are four shorter (3.07 Å) and two longer (3.28 Å) Ce–Ir bond lengths. Os is bonded to six equivalent Ce, two equivalent Os, and four equivalent Ir atoms to form OsCe6Ir4Os2 cuboctahedra that share corners with eight equivalent IrCe6Ir2Os4 cuboctahedra, corners with ten equivalent OsCe6Ir4Os2 cuboctahedra, edges with six equivalent OsCe6Ir4Os2 cuboctahedra, faces with six equivalent OsCe6Ir4Os2 cuboctahedra, and faces with twelve equivalent IrCe6Ir2Os4 cuboctahedra. Both Os–Os bond lengths are 2.56 Å. All Os–Ir bond lengths are 2.73 Å. Ir is bonded to six equivalent Ce, four equivalent Os, and two equivalent Ir atoms to form IrCe6Ir2Os4 cuboctahedra that share corners with eight equivalent OsCe6Ir4Os2 cuboctahedra, corners with ten equivalent IrCe6Ir2Os4 cuboctahedra, edges with six equivalent IrCe6Ir2Os4 cuboctahedra, faces with six equivalent IrCe6Ir2Os4 cuboctahedra, and faces with twelve equivalent OsCe6Ir4Os2 cuboctahedra. Both Ir–Ir bond lengths are 2.74 Å.