Materials Data on Co3Ir by Materials Project
IrCo3 is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ir is bonded to six equivalent Ir and six equivalent Co atoms to form IrCo6Ir6 cuboctahedra that share corners with six equivalent IrCo6Ir6 cuboctahedra, corners with twelve equivalent CoCo12 cuboctahedra, edges with six equivalent IrCo6Ir6 cuboctahedra, edges with twelve equivalent CoCo9Ir3 cuboctahedra, faces with six equivalent IrCo6Ir6 cuboctahedra, and faces with fourteen CoCo12 cuboctahedra. All Ir–Ir bond lengths are 2.62 Å. All Ir–Co bond lengths are 2.61 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with six equivalent CoCo12 cuboctahedra, corners with twelve equivalent IrCo6Ir6 cuboctahedra, edges with eighteen CoCo12 cuboctahedra, faces with two equivalent IrCo6Ir6 cuboctahedra, and faces with eighteen CoCo12 cuboctahedra. There are six shorter (2.47 Å) and six longer (2.62 Å) Co–Co bond lengths. In the second Co site, Co is bonded to three equivalent Ir and nine Co atoms to form distorted CoCo9Ir3 cuboctahedra that share corners with eighteen equivalent CoCo9Ir3 cuboctahedra, edges with six equivalent IrCo6Ir6 cuboctahedra, edges with twelve CoCo12 cuboctahedra, faces with six equivalent IrCo6Ir6 cuboctahedra, and faces with fourteen CoCo12 cuboctahedra. All Co–Co bond lengths are 2.62 Å.