TaVB4 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. Ta(1) is bonded to twelve equivalent B(1) atoms to form TaB12 cuboctahedra that share edges with twelve equivalent V(1)B12 cuboctahedra, faces with two equivalent V(1)B12 cuboctahedra, and faces with six equivalent Ta(1)B12 cuboctahedra. V(1) is bonded to twelve equivalent B(1) atoms to form VB12 cuboctahedra that share edges with twelve equivalent Ta(1)B12 cuboctahedra, faces with two equivalent Ta(1)B12 cuboctahedra, and faces with six equivalent V(1)B12 cuboctahedra. B(1) is bonded in a 9-coordinate geometry to three equivalent Ta(1), three equivalent V(1), and three equivalent B(1) atoms.
TaVB4 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. Ta(1) is bonded to twelve equivalent B(1) atoms to form TaB12 cuboctahedra that share edges with twelve equivalent V(1)B12 cuboctahedra, faces with two equivalent V(1)B12 cuboctahedra, and faces with six equivalent Ta(1)B12 cuboctahedra. All Ta(1)-B(1) bond lengths are 2.42 Å. V(1) is bonded to twelve equivalent B(1) atoms to form VB12 cuboctahedra that share edges with twelve equivalent Ta(1)B12 cuboctahedra, faces with two equivalent Ta(1)B12 cuboctahedra, and faces with six equivalent V(1)B12 cuboctahedra. All V(1)-B(1) bond lengths are 2.31 Å. B(1) is bonded in a 9-coordinate geometry to three equivalent Ta(1), three equivalent V(1), and three equivalent B(1) atoms. All B(1)-B(1) bond lengths are 1.76 Å.