TaMoCo4 is Hexagonal Laves-derived structured and crystallizes in the trigonal P-3m1 space group. Ta(1) is bonded in a 13-coordinate geometry to one Mo(1), three equivalent Co(2), and nine equivalent Co(3) atoms. Mo(1) is bonded in a 16-coordinate geometry to one Ta(1), three equivalent Mo(1), three equivalent Co(1), and nine equivalent Co(3) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to six equivalent Mo(1) and six equivalent Co(3) atoms to form CoCo6Mo6 cuboctahedra that share corners with twelve equivalent Co(3)Ta3Co6Mo3 cuboctahedra, edges with six equivalent Co(1)Co6Mo6 cuboctahedra, faces with two equivalent Co(2)Ta6Co6 cuboctahedra, and faces with eighteen equivalent Co(3)Ta3Co6Mo3 cuboctahedra. In the second Co site, Co(2) is bonded to six equivalent Ta(1) and six equivalent Co(3) atoms to form CoTa6Co6 cuboctahedra that share corners with twelve equivalent Co(3)Ta3Co6Mo3 cuboctahedra, edges with six equivalent Co(2)Ta6Co6 cuboctahedra, faces with two equivalent Co(1)Co6Mo6 cuboctahedra, and faces with eighteen equivalent Co(3)Ta3Co6Mo3 cuboctahedra. In the third Co site, Co(3) is bonded to three equivalent Ta(1), three equivalent Mo(1), one Co(1), one Co(2), and four equivalent Co(3) atoms to form CoTa3Co6Mo3 cuboctahedra that share corners with two equivalent Co(1)Co6Mo6 cuboctahedra, corners with two equivalent Co(2)Ta6Co6 cuboctahedra, corners with fourteen equivalent Co(3)Ta3Co6Mo3 cuboctahedra, edges with six equivalent Co(3)Ta3Co6Mo3 cuboctahedra, faces with three equivalent Co(1)Co6Mo6 cuboctahedra, faces with three equivalent Co(2)Ta6Co6 cuboctahedra, and faces with twelve equivalent Co(3)Ta3Co6Mo3 cuboctahedra.
TaMoCo4 is Hexagonal Laves-derived structured and crystallizes in the trigonal P-3m1 space group. Ta(1) is bonded in a 13-coordinate geometry to one Mo(1), three equivalent Co(2), and nine equivalent Co(3) atoms. The Ta(1)-Mo(1) bond length is 2.84 Å. All Ta(1)-Co(2) bond lengths are 2.79 Å. There are six shorter (2.72 Å) and three longer (2.85 Å) Ta(1)-Co(3) bond lengths. Mo(1) is bonded in a 16-coordinate geometry to one Ta(1), three equivalent Mo(1), three equivalent Co(1), and nine equivalent Co(3) atoms. All Mo(1)-Mo(1) bond lengths are 2.86 Å. All Mo(1)-Co(1) bond lengths are 2.76 Å. There are three shorter (2.71 Å) and six longer (2.79 Å) Mo(1)-Co(3) bond lengths. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to six equivalent Mo(1) and six equivalent Co(3) atoms to form CoCo6Mo6 cuboctahedra that share corners with twelve equivalent Co(3)Ta3Co6Mo3 cuboctahedra, edges with six equivalent Co(1)Co6Mo6 cuboctahedra, faces with two equivalent Co(2)Ta6Co6 cuboctahedra, and faces with eighteen equivalent Co(3)Ta3Co6Mo3 cuboctahedra. All Co(1)-Co(3) bond lengths are 2.37 Å. In the second Co site, Co(2) is bonded to six equivalent Ta(1) and six equivalent Co(3) atoms to form CoTa6Co6 cuboctahedra that share corners with twelve equivalent Co(3)Ta3Co6Mo3 cuboctahedra, edges with six equivalent Co(2)Ta6Co6 cuboctahedra, faces with two equivalent Co(1)Co6Mo6 cuboctahedra, and faces with eighteen equivalent Co(3)Ta3Co6Mo3 cuboctahedra. All Co(2)-Co(3) bond lengths are 2.37 Å. In the third Co site, Co(3) is bonded to three equivalent Ta(1), three equivalent Mo(1), one Co(1), one Co(2), and four equivalent Co(3) atoms to form CoTa3Co6Mo3 cuboctahedra that share corners with two equivalent Co(1)Co6Mo6 cuboctahedra, corners with two equivalent Co(2)Ta6Co6 cuboctahedra, corners with fourteen equivalent Co(3)Ta3Co6Mo3 cuboctahedra, edges with six equivalent Co(3)Ta3Co6Mo3 cuboctahedra, faces with three equivalent Co(1)Co6Mo6 cuboctahedra, faces with three equivalent Co(2)Ta6Co6 cuboctahedra, and faces with twelve equivalent Co(3)Ta3Co6Mo3 cuboctahedra. There are two shorter (2.33 Å) and two longer (2.39 Å) Co(3)-Co(3) bond lengths.