Ta4BTe8 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent B(1), one Te(1), one Te(2), and two equivalent Te(4) atoms to form a mixture of distorted edge and corner-sharing TaB2Te4 octahedra. The corner-sharing octahedra are not tilted. In the second Ta site, Ta(2) is bonded in a 6-coordinate geometry to one B(1), one Te(3), two equivalent Te(1), and two equivalent Te(2) atoms. B(1) is bonded to two equivalent Ta(2) and four equivalent Ta(1) atoms to form edge-sharing BTa6 octahedra. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a 3-coordinate geometry to one Ta(1) and two equivalent Ta(2) atoms. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one Ta(1) and two equivalent Ta(2) atoms. In the third Te site, Te(3) is bonded in a water-like geometry to one Ta(2) and one Te(4) atom. In the fourth Te site, Te(4) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and one Te(3) atom.
Ta4BTe8 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent B(1), one Te(1), one Te(2), and two equivalent Te(4) atoms to form a mixture of distorted edge and corner-sharing TaB2Te4 octahedra. The corner-sharing octahedra are not tilted. Both Ta(1)-B(1) bond lengths are 2.34 Å. The Ta(1)-Te(1) bond length is 2.83 Å. The Ta(1)-Te(2) bond length is 2.75 Å. Both Ta(1)-Te(4) bond lengths are 2.90 Å. In the second Ta site, Ta(2) is bonded in a 6-coordinate geometry to one B(1), one Te(3), two equivalent Te(1), and two equivalent Te(2) atoms. The Ta(2)-B(1) bond length is 2.21 Å. The Ta(2)-Te(3) bond length is 2.97 Å. Both Ta(2)-Te(1) bond lengths are 2.80 Å. Both Ta(2)-Te(2) bond lengths are 2.78 Å. B(1) is bonded to two equivalent Ta(2) and four equivalent Ta(1) atoms to form edge-sharing BTa6 octahedra. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a 3-coordinate geometry to one Ta(1) and two equivalent Ta(2) atoms. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one Ta(1) and two equivalent Ta(2) atoms. In the third Te site, Te(3) is bonded in a water-like geometry to one Ta(2) and one Te(4) atom. The Te(3)-Te(4) bond length is 2.79 Å. In the fourth Te site, Te(4) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and one Te(3) atom.