BeTaB crystallizes in the hexagonal P-6m2 space group. Be(1) is bonded in a trigonal planar geometry to six equivalent Ta(1) and three equivalent B(1) atoms. Ta(1) is bonded to six equivalent Be(1) and six equivalent B(1) atoms to form a mixture of face and edge-sharing TaBe6B6 cuboctahedra. B(1) is bonded in a distorted trigonal planar geometry to three equivalent Be(1) and six equivalent Ta(1) atoms.
BeTaB crystallizes in the hexagonal P-6m2 space group. Be(1) is bonded in a trigonal planar geometry to six equivalent Ta(1) and three equivalent B(1) atoms. All Be(1)-Ta(1) bond lengths are 2.48 Å. All Be(1)-B(1) bond lengths are 1.88 Å. Ta(1) is bonded to six equivalent Be(1) and six equivalent B(1) atoms to form a mixture of face and edge-sharing TaBe6B6 cuboctahedra. All Ta(1)-B(1) bond lengths are 2.48 Å. B(1) is bonded in a distorted trigonal planar geometry to three equivalent Be(1) and six equivalent Ta(1) atoms.