BaTaB is half-Heusler structured and crystallizes in the cubic F-43m space group. Ba(1) is bonded to six equivalent Ta(1) and four equivalent B(1) atoms to form a mixture of distorted corner and face-sharing BaTa6B4 tetrahedra. Ta(1) is bonded in a 10-coordinate geometry to six equivalent Ba(1) and four equivalent B(1) atoms. B(1) is bonded in a body-centered cubic geometry to four equivalent Ba(1) and four equivalent Ta(1) atoms.
BaTaB is half-Heusler structured and crystallizes in the cubic F-43m space group. Ba(1) is bonded to six equivalent Ta(1) and four equivalent B(1) atoms to form a mixture of distorted corner and face-sharing BaTa6B4 tetrahedra. All Ba(1)-Ta(1) bond lengths are 3.19 Å. All Ba(1)-B(1) bond lengths are 2.76 Å. Ta(1) is bonded in a 10-coordinate geometry to six equivalent Ba(1) and four equivalent B(1) atoms. All Ta(1)-B(1) bond lengths are 2.76 Å. B(1) is bonded in a body-centered cubic geometry to four equivalent Ba(1) and four equivalent Ta(1) atoms.