MoV crystallizes in the hexagonal P-6m2 space group. V(1) is bonded to six equivalent V(1) and six equivalent Mo(1) atoms to form VV6Mo6 cuboctahedra that share corners with eighteen equivalent V(1)V6Mo6 cuboctahedra, edges with six equivalent V(1)V6Mo6 cuboctahedra, edges with twelve equivalent Mo(1)V6Mo6 cuboctahedra, faces with eight equivalent V(1)V6Mo6 cuboctahedra, and faces with twelve equivalent Mo(1)V6Mo6 cuboctahedra. Mo(1) is bonded to six equivalent V(1) and six equivalent Mo(1) atoms to form MoV6Mo6 cuboctahedra that share corners with eighteen equivalent Mo(1)V6Mo6 cuboctahedra, edges with six equivalent Mo(1)V6Mo6 cuboctahedra, edges with twelve equivalent V(1)V6Mo6 cuboctahedra, faces with eight equivalent Mo(1)V6Mo6 cuboctahedra, and faces with twelve equivalent V(1)V6Mo6 cuboctahedra.
MoV crystallizes in the hexagonal P-6m2 space group. V(1) is bonded to six equivalent V(1) and six equivalent Mo(1) atoms to form VV6Mo6 cuboctahedra that share corners with eighteen equivalent V(1)V6Mo6 cuboctahedra, edges with six equivalent V(1)V6Mo6 cuboctahedra, edges with twelve equivalent Mo(1)V6Mo6 cuboctahedra, faces with eight equivalent V(1)V6Mo6 cuboctahedra, and faces with twelve equivalent Mo(1)V6Mo6 cuboctahedra. All V(1)-V(1) bond lengths are 2.70 Å. All V(1)-Mo(1) bond lengths are 2.86 Å. Mo(1) is bonded to six equivalent V(1) and six equivalent Mo(1) atoms to form MoV6Mo6 cuboctahedra that share corners with eighteen equivalent Mo(1)V6Mo6 cuboctahedra, edges with six equivalent Mo(1)V6Mo6 cuboctahedra, edges with twelve equivalent V(1)V6Mo6 cuboctahedra, faces with eight equivalent Mo(1)V6Mo6 cuboctahedra, and faces with twelve equivalent V(1)V6Mo6 cuboctahedra. All Mo(1)-Mo(1) bond lengths are 2.70 Å.