DOE OSTI2020
RuIr is Copper-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ru sites. In the first Ru site, Ru is bonded to six equivalent Ru and six Ir atoms to form RuIr6Ru6 cuboctahedra that share corners with twelve RuIr6Ru6 cuboctahedra, edges with twelve RuIr6Ru6 cuboctahedra, edges with twelve IrIr6Ru6 cuboctahedra, faces with six equivalent RuIr6Ru6 cuboctahedra, and faces with twelve IrIr6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.72 Å. All Ru–Ir bond lengths are 2.72 Å. In the second Ru site, Ru is bonded to ten equivalent Ru and six Ir atoms to form RuIr6Ru10 cuboctahedra that share corners with ten IrIr6Ru6 cuboctahedra, corners with twelve RuIr6Ru6 cuboctahedra, edges with eight IrIr6Ru6 cuboctahedra, edges with sixteen RuIr6Ru6 cuboctahedra, faces with sixteen equivalent RuIr6Ru10 cuboctahedra, and faces with eighteen IrIr6Ru6 cuboctahedra. There are a spread of Ru–Ru bond distances ranging from 2.72–5.43 Å. All Ru–Ir bond lengths are 2.72 Å. There are three inequivalent Ir sites. In the first Ir site, Ir is bonded to six equivalent Ru and six equivalent Ir atoms to form IrIr6Ru6 cuboctahedra that share corners with twelve IrIr6Ru6 cuboctahedra, edges with twelve equivalent RuIr6Ru6 cuboctahedra, edges with twelve IrIr6Ru6 cuboctahedra, faces with six equivalent IrIr6Ru6 cuboctahedra, and faces with twelve equivalent RuIr6Ru6 cuboctahedra. All Ir–Ir bond lengths are 2.72 Å. In the second Ir site, Ir is bonded to six Ru and six equivalent Ir atoms to form IrIr6Ru6 cuboctahedra that share corners with five equivalent RuIr6Ru10 cuboctahedra, corners with twelve IrIr6Ru6 cuboctahedra, edges with ten RuIr6Ru6 cuboctahedra, edges with twelve IrIr6Ru6 cuboctahedra, faces with six equivalent IrIr6Ru6 cuboctahedra, and faces with fifteen RuIr6Ru6 cuboctahedra. All Ir–Ru bond lengths are 2.72 Å. All Ir–Ir bond lengths are 2.72 Å. In the third Ir site, Ir is bonded to six Ru and six equivalent Ir atoms to form IrIr6Ru6 cuboctahedra that share corners with five equivalent RuIr6Ru10 cuboctahedra, corners with twelve IrIr6Ru6 cuboctahedra, edges with ten RuIr6Ru6 cuboctahedra, edges with twelve IrIr6Ru6 cuboctahedra, faces with six equivalent IrIr6Ru6 cuboctahedra, and faces with fifteen RuIr6Ru6 cuboctahedra. All Ir–Ir bond lengths are 2.72 Å.