IrCo3 is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. Ir(1) is bonded to six equivalent Ir(1) and six equivalent Co(2) atoms to form IrCo6Ir6 cuboctahedra that share corners with six equivalent Ir(1)Co6Ir6 cuboctahedra, corners with twelve equivalent Co(1)Co12 cuboctahedra, edges with six equivalent Ir(1)Co6Ir6 cuboctahedra, edges with twelve equivalent Co(2)Co9Ir3 cuboctahedra, faces with two equivalent Co(1)Co12 cuboctahedra, faces with six equivalent Ir(1)Co6Ir6 cuboctahedra, and faces with twelve equivalent Co(2)Co9Ir3 cuboctahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to six equivalent Co(1) and six equivalent Co(2) atoms to form CoCo12 cuboctahedra that share corners with six equivalent Co(1)Co12 cuboctahedra, corners with twelve equivalent Ir(1)Co6Ir6 cuboctahedra, edges with six equivalent Co(1)Co12 cuboctahedra, edges with twelve equivalent Co(2)Co9Ir3 cuboctahedra, faces with two equivalent Ir(1)Co6Ir6 cuboctahedra, faces with six equivalent Co(1)Co12 cuboctahedra, and faces with twelve equivalent Co(2)Co9Ir3 cuboctahedra. In the second Co site, Co(2) is bonded to three equivalent Ir(1), three equivalent Co(1), and six equivalent Co(2) atoms to form distorted CoCo9Ir3 cuboctahedra that share corners with eighteen equivalent Co(2)Co9Ir3 cuboctahedra, edges with six equivalent Ir(1)Co6Ir6 cuboctahedra, edges with six equivalent Co(1)Co12 cuboctahedra, edges with six equivalent Co(2)Co9Ir3 cuboctahedra, faces with six equivalent Ir(1)Co6Ir6 cuboctahedra, faces with six equivalent Co(1)Co12 cuboctahedra, and faces with eight equivalent Co(2)Co9Ir3 cuboctahedra.
IrCo3 is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. Ir(1) is bonded to six equivalent Ir(1) and six equivalent Co(2) atoms to form IrCo6Ir6 cuboctahedra that share corners with six equivalent Ir(1)Co6Ir6 cuboctahedra, corners with twelve equivalent Co(1)Co12 cuboctahedra, edges with six equivalent Ir(1)Co6Ir6 cuboctahedra, edges with twelve equivalent Co(2)Co9Ir3 cuboctahedra, faces with two equivalent Co(1)Co12 cuboctahedra, faces with six equivalent Ir(1)Co6Ir6 cuboctahedra, and faces with twelve equivalent Co(2)Co9Ir3 cuboctahedra. All Ir(1)-Ir(1) bond lengths are 2.61 Å. All Ir(1)-Co(2) bond lengths are 2.61 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to six equivalent Co(1) and six equivalent Co(2) atoms to form CoCo12 cuboctahedra that share corners with six equivalent Co(1)Co12 cuboctahedra, corners with twelve equivalent Ir(1)Co6Ir6 cuboctahedra, edges with six equivalent Co(1)Co12 cuboctahedra, edges with twelve equivalent Co(2)Co9Ir3 cuboctahedra, faces with two equivalent Ir(1)Co6Ir6 cuboctahedra, faces with six equivalent Co(1)Co12 cuboctahedra, and faces with twelve equivalent Co(2)Co9Ir3 cuboctahedra. All Co(1)-Co(1) bond lengths are 2.61 Å. All Co(1)-Co(2) bond lengths are 2.45 Å. In the second Co site, Co(2) is bonded to three equivalent Ir(1), three equivalent Co(1), and six equivalent Co(2) atoms to form distorted CoCo9Ir3 cuboctahedra that share corners with eighteen equivalent Co(2)Co9Ir3 cuboctahedra, edges with six equivalent Ir(1)Co6Ir6 cuboctahedra, edges with six equivalent Co(1)Co12 cuboctahedra, edges with six equivalent Co(2)Co9Ir3 cuboctahedra, faces with six equivalent Ir(1)Co6Ir6 cuboctahedra, faces with six equivalent Co(1)Co12 cuboctahedra, and faces with eight equivalent Co(2)Co9Ir3 cuboctahedra. All Co(2)-Co(2) bond lengths are 2.61 Å.