Mo3Re2C crystallizes in the cubic P4_132 space group. Mo(1) is bonded in a distorted bent 150 degrees geometry to six equivalent Re(1) and two equivalent C(1) atoms. Re(1) is bonded to nine equivalent Mo(1) and three equivalent Re(1) atoms to form ReRe3Mo9 cuboctahedra that share corners with fifteen equivalent Re(1)Re3Mo9 cuboctahedra, edges with three equivalent C(1)Mo6 octahedra, faces with ten equivalent Re(1)Re3Mo9 cuboctahedra, and faces with four equivalent C(1)Mo6 octahedra. C(1) is bonded to six equivalent Mo(1) atoms to form distorted CMo6 octahedra that share corners with six equivalent C(1)Mo6 octahedra, edges with six equivalent Re(1)Re3Mo9 cuboctahedra, and faces with eight equivalent Re(1)Re3Mo9 cuboctahedra. The corner-sharing octahedral tilt angles are 23°.
Mo3Re2C crystallizes in the cubic P4_132 space group. Mo(1) is bonded in a distorted bent 150 degrees geometry to six equivalent Re(1) and two equivalent C(1) atoms. There are a spread of Mo(1)-Re(1) bond distances ranging from 2.85-2.96 Å. Both Mo(1)-C(1) bond lengths are 2.17 Å. Re(1) is bonded to nine equivalent Mo(1) and three equivalent Re(1) atoms to form ReRe3Mo9 cuboctahedra that share corners with fifteen equivalent Re(1)Re3Mo9 cuboctahedra, edges with three equivalent C(1)Mo6 octahedra, faces with ten equivalent Re(1)Re3Mo9 cuboctahedra, and faces with four equivalent C(1)Mo6 octahedra. All Re(1)-Re(1) bond lengths are 2.59 Å. C(1) is bonded to six equivalent Mo(1) atoms to form distorted CMo6 octahedra that share corners with six equivalent C(1)Mo6 octahedra, edges with six equivalent Re(1)Re3Mo9 cuboctahedra, and faces with eight equivalent Re(1)Re3Mo9 cuboctahedra. The corner-sharing octahedral tilt angles are 23°.