TaNiB crystallizes in the orthorhombic Cmcm space group. Ta(1) is bonded in a 11-coordinate geometry to five equivalent Ni(1) and six equivalent B(1) atoms. Ni(1) is bonded in a 10-coordinate geometry to five equivalent Ta(1), four equivalent Ni(1), and one B(1) atom. B(1) is bonded in a 9-coordinate geometry to six equivalent Ta(1), one Ni(1), and two equivalent B(1) atoms.
TaNiB crystallizes in the orthorhombic Cmcm space group. Ta(1) is bonded in a 11-coordinate geometry to five equivalent Ni(1) and six equivalent B(1) atoms. There is one shorter (2.60 Å) and four longer (2.64 Å) Ta(1)-Ni(1) bond lengths. There are four shorter (2.39 Å) and two longer (2.41 Å) Ta(1)-B(1) bond lengths. Ni(1) is bonded in a 10-coordinate geometry to five equivalent Ta(1), four equivalent Ni(1), and one B(1) atom. All Ni(1)-Ni(1) bond lengths are 2.54 Å. The Ni(1)-B(1) bond length is 2.23 Å. B(1) is bonded in a 9-coordinate geometry to six equivalent Ta(1), one Ni(1), and two equivalent B(1) atoms. Both B(1)-B(1) bond lengths are 1.79 Å.