Ta3W3B4 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 10-coordinate geometry to two equivalent W(1), four equivalent W(2), one B(1), one B(2), and two equivalent B(3) atoms. In the second Ta site, Ta(2) is bonded in a distorted hexagonal planar geometry to two equivalent B(2) and four equivalent B(3) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 10-coordinate geometry to four equivalent Ta(1), two equivalent B(1), and four equivalent B(3) atoms. In the second W site, W(2) is bonded in a 10-coordinate geometry to four equivalent Ta(1), two equivalent B(1), two equivalent B(2), and two equivalent B(3) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Ta(1), two equivalent W(1), four equivalent W(2), and one B(2) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Ta(1), two equivalent Ta(2), four equivalent W(2), and one B(1) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Ta(1), two equivalent Ta(2), two equivalent W(1), two equivalent W(2), and one B(3) atom.
Ta3W3B4 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 10-coordinate geometry to two equivalent W(1), four equivalent W(2), one B(1), one B(2), and two equivalent B(3) atoms. Both Ta(1)-W(1) bond lengths are 2.77 Å. There are two shorter (2.79 Å) and two longer (2.80 Å) Ta(1)-W(2) bond lengths. The Ta(1)-B(1) bond length is 2.48 Å. The Ta(1)-B(2) bond length is 2.50 Å. There is one shorter (2.47 Å) and one longer (2.50 Å) Ta(1)-B(3) bond length. In the second Ta site, Ta(2) is bonded in a distorted hexagonal planar geometry to two equivalent B(2) and four equivalent B(3) atoms. Both Ta(2)-B(2) bond lengths are 2.48 Å. All Ta(2)-B(3) bond lengths are 2.42 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 10-coordinate geometry to four equivalent Ta(1), two equivalent B(1), and four equivalent B(3) atoms. Both W(1)-B(1) bond lengths are 2.47 Å. All W(1)-B(3) bond lengths are 2.43 Å. In the second W site, W(2) is bonded in a 10-coordinate geometry to four equivalent Ta(1), two equivalent B(1), two equivalent B(2), and two equivalent B(3) atoms. Both W(2)-B(1) bond lengths are 2.39 Å. Both W(2)-B(2) bond lengths are 2.40 Å. Both W(2)-B(3) bond lengths are 2.47 Å. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Ta(1), two equivalent W(1), four equivalent W(2), and one B(2) atom. The B(1)-B(2) bond length is 1.93 Å. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Ta(1), two equivalent Ta(2), four equivalent W(2), and one B(1) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Ta(1), two equivalent Ta(2), two equivalent W(1), two equivalent W(2), and one B(3) atom. The B(3)-B(3) bond length is 1.96 Å.