Ta5GeB2 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to three equivalent B(1) and two equivalent Ge(1) atoms to form a mixture of distorted face, corner, and edge-sharing TaGe2B3 trigonal bipyramids. In the second Ta site, Ta(2) is bonded in a 4-coordinate geometry to four equivalent B(1) and two equivalent Ge(1) atoms. B(1) is bonded in a 9-coordinate geometry to two equivalent Ta(2), six equivalent Ta(1), and one B(1) atom. Ge(1) is bonded in a 10-coordinate geometry to two equivalent Ta(2) and eight equivalent Ta(1) atoms.
Ta5GeB2 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to three equivalent B(1) and two equivalent Ge(1) atoms to form a mixture of distorted face, corner, and edge-sharing TaGe2B3 trigonal bipyramids. There are two shorter (2.41 Å) and one longer (2.48 Å) Ta(1)-B(1) bond length. Both Ta(1)-Ge(1) bond lengths are 2.68 Å. In the second Ta site, Ta(2) is bonded in a 4-coordinate geometry to four equivalent B(1) and two equivalent Ge(1) atoms. All Ta(2)-B(1) bond lengths are 2.49 Å. Both Ta(2)-Ge(1) bond lengths are 2.90 Å. B(1) is bonded in a 9-coordinate geometry to two equivalent Ta(2), six equivalent Ta(1), and one B(1) atom. The B(1)-B(1) bond length is 2.12 Å. Ge(1) is bonded in a 10-coordinate geometry to two equivalent Ta(2) and eight equivalent Ta(1) atoms.