LiBC crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to six equivalent B(1) and six equivalent C(1) atoms to form a mixture of face and edge-sharing LiB6C6 cuboctahedra. B(1) is bonded in a trigonal planar geometry to six equivalent Li(1) and three equivalent C(1) atoms. C(1) is bonded in a distorted trigonal planar geometry to six equivalent Li(1) and three equivalent B(1) atoms.
LiBC crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to six equivalent B(1) and six equivalent C(1) atoms to form a mixture of face and edge-sharing LiB6C6 cuboctahedra. All Li(1)-B(1) bond lengths are 2.35 Å. All Li(1)-C(1) bond lengths are 2.35 Å. B(1) is bonded in a trigonal planar geometry to six equivalent Li(1) and three equivalent C(1) atoms. All B(1)-C(1) bond lengths are 1.58 Å. C(1) is bonded in a distorted trigonal planar geometry to six equivalent Li(1) and three equivalent B(1) atoms.