Materials Data on IrPd by Materials Project

Abstract

PdIr is Copper-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Ir sites. In the first Ir site, Ir is bonded to six equivalent Ir and six equivalent Pd atoms to form IrIr6Pd6 cuboctahedra that share corners with twelve IrIr6Pd6 cuboctahedra, edges with twelve IrIr6Pd6 cuboctahedra, edges with twelve equivalent PdIr6Pd6 cuboctahedra, faces with six equivalent IrIr6Pd6 cuboctahedra, and faces with twelve equivalent PdIr6Pd6 cuboctahedra. All Ir–Ir bond lengths are 2.76 Å. All Ir–Pd bond lengths are 2.76 Å. In the second Ir site, Ir is bonded to six equivalent Ir and six Pd atoms to form IrIr6Pd6 cuboctahedra that share corners with five equivalent PdIr6Pd10 cuboctahedra, corners with twelve IrIr6Pd6 cuboctahedra, edges with ten PdIr6Pd6 cuboctahedra, edges with twelve IrIr6Pd6 cuboctahedra, faces with six equivalent IrIr6Pd6 cuboctahedra, and faces with fifteen PdIr6Pd6 cuboctahedra. All Ir–Ir bond lengths are 2.76 Å. All Ir–Pd bond lengths are 2.76 Å. In the third Ir site, Ir is bonded to six equivalent Ir and six Pd atoms to form IrIr6Pd6 cuboctahedra that share corners with five equivalent PdIr6Pd10 cuboctahedra, corners with twelve IrIr6Pd6 cuboctahedra, edges with ten PdIr6Pd6 cuboctahedra, edges with twelve IrIr6Pd6 cuboctahedra, faces with six equivalent IrIr6Pd6 cuboctahedra, and faces with fifteen PdIr6Pd6 cuboctahedra. All Ir–Ir bond lengths are 2.76 Å. All Ir–Pd bond lengths are 2.76 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to six Ir and six equivalent Pd atoms to form PdIr6Pd6 cuboctahedra that share corners with twelve PdIr6Pd6 cuboctahedra, edges with twelve IrIr6Pd6 cuboctahedra, edges with twelve PdIr6Pd6 cuboctahedra, faces with six equivalent PdIr6Pd6 cuboctahedra, and faces with twelve IrIr6Pd6 cuboctahedra. All Pd–Pd bond lengths are 2.76 Å. In the second Pd site, Pd is bonded to six Ir and ten equivalent Pd atoms to form PdIr6Pd10 cuboctahedra that share corners with ten IrIr6Pd6 cuboctahedra, corners with twelve PdIr6Pd6 cuboctahedra, edges with eight IrIr6Pd6 cuboctahedra, edges with sixteen PdIr6Pd6 cuboctahedra, faces with sixteen equivalent PdIr6Pd10 cuboctahedra, and faces with eighteen IrIr6Pd6 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.76–5.52 Å.