Ta5BGe3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 6-coordinate geometry to six equivalent Ge(1) atoms. In the second Ta site, Ta(2) is bonded in a 7-coordinate geometry to two equivalent B(1) and five equivalent Ge(1) atoms. B(1) is bonded to six equivalent Ta(2) atoms to form face-sharing BTa6 octahedra. Ge(1) is bonded in a 9-coordinate geometry to four equivalent Ta(1) and five equivalent Ta(2) atoms.
Ta5BGe3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 6-coordinate geometry to six equivalent Ge(1) atoms. All Ta(1)-Ge(1) bond lengths are 2.70 Å. In the second Ta site, Ta(2) is bonded in a 7-coordinate geometry to two equivalent B(1) and five equivalent Ge(1) atoms. Both Ta(2)-B(1) bond lengths are 2.30 Å. There are a spread of Ta(2)-Ge(1) bond distances ranging from 2.69-2.93 Å. B(1) is bonded to six equivalent Ta(2) atoms to form face-sharing BTa6 octahedra. Ge(1) is bonded in a 9-coordinate geometry to four equivalent Ta(1) and five equivalent Ta(2) atoms.