Co3Mo is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. Mo(1) is bonded to six equivalent Mo(1) and six equivalent Co(2) atoms to form MoCo6Mo6 cuboctahedra that share corners with six equivalent Mo(1)Co6Mo6 cuboctahedra, corners with twelve equivalent Co(1)Co12 cuboctahedra, edges with six equivalent Mo(1)Co6Mo6 cuboctahedra, edges with twelve equivalent Co(2)Co9Mo3 cuboctahedra, faces with two equivalent Co(1)Co12 cuboctahedra, faces with six equivalent Mo(1)Co6Mo6 cuboctahedra, and faces with twelve equivalent Co(2)Co9Mo3 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 Mo(1)Co6Mo6 cuboctahedra, edges with six equivalent Co(1)Co12 cuboctahedra, edges with twelve equivalent Co(2)Co9Mo3 cuboctahedra, faces with two equivalent Mo(1)Co6Mo6 cuboctahedra, faces with six equivalent Co(1)Co12 cuboctahedra, and faces with twelve equivalent Co(2)Co9Mo3 cuboctahedra. In the second Co site, Co(2) is bonded to three equivalent Mo(1), three equivalent Co(1), and six equivalent Co(2) atoms to form CoCo9Mo3 cuboctahedra that share corners with eighteen equivalent Co(2)Co9Mo3 cuboctahedra, edges with six equivalent Mo(1)Co6Mo6 cuboctahedra, edges with six equivalent Co(1)Co12 cuboctahedra, edges with six equivalent Co(2)Co9Mo3 cuboctahedra, faces with six equivalent Mo(1)Co6Mo6 cuboctahedra, faces with six equivalent Co(1)Co12 cuboctahedra, and faces with eight equivalent Co(2)Co9Mo3 cuboctahedra.
Co3Mo is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. Mo(1) is bonded to six equivalent Mo(1) and six equivalent Co(2) atoms to form MoCo6Mo6 cuboctahedra that share corners with six equivalent Mo(1)Co6Mo6 cuboctahedra, corners with twelve equivalent Co(1)Co12 cuboctahedra, edges with six equivalent Mo(1)Co6Mo6 cuboctahedra, edges with twelve equivalent Co(2)Co9Mo3 cuboctahedra, faces with two equivalent Co(1)Co12 cuboctahedra, faces with six equivalent Mo(1)Co6Mo6 cuboctahedra, and faces with twelve equivalent Co(2)Co9Mo3 cuboctahedra. All Mo(1)-Mo(1) bond lengths are 2.63 Å. All Mo(1)-Co(2) bond lengths are 2.65 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 Mo(1)Co6Mo6 cuboctahedra, edges with six equivalent Co(1)Co12 cuboctahedra, edges with twelve equivalent Co(2)Co9Mo3 cuboctahedra, faces with two equivalent Mo(1)Co6Mo6 cuboctahedra, faces with six equivalent Co(1)Co12 cuboctahedra, and faces with twelve equivalent Co(2)Co9Mo3 cuboctahedra. All Co(1)-Co(1) bond lengths are 2.63 Å. All Co(1)-Co(2) bond lengths are 2.47 Å. In the second Co site, Co(2) is bonded to three equivalent Mo(1), three equivalent Co(1), and six equivalent Co(2) atoms to form CoCo9Mo3 cuboctahedra that share corners with eighteen equivalent Co(2)Co9Mo3 cuboctahedra, edges with six equivalent Mo(1)Co6Mo6 cuboctahedra, edges with six equivalent Co(1)Co12 cuboctahedra, edges with six equivalent Co(2)Co9Mo3 cuboctahedra, faces with six equivalent Mo(1)Co6Mo6 cuboctahedra, faces with six equivalent Co(1)Co12 cuboctahedra, and faces with eight equivalent Co(2)Co9Mo3 cuboctahedra. All Co(2)-Co(2) bond lengths are 2.63 Å.