LiBaP crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded in a trigonal planar geometry to six equivalent Ba(1) and three equivalent P(1) atoms. Ba(1) is bonded to six equivalent Li(1) and six equivalent P(1) atoms to form a mixture of distorted face and edge-sharing BaLi6P6 cuboctahedra. P(1) is bonded in a distorted trigonal planar geometry to three equivalent Li(1) and six equivalent Ba(1) atoms.
LiBaP crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded in a trigonal planar geometry to six equivalent Ba(1) and three equivalent P(1) atoms. All Li(1)-Ba(1) bond lengths are 3.41 Å. All Li(1)-P(1) bond lengths are 2.61 Å. Ba(1) is bonded to six equivalent Li(1) and six equivalent P(1) atoms to form a mixture of distorted face and edge-sharing BaLi6P6 cuboctahedra. All Ba(1)-P(1) bond lengths are 3.41 Å. P(1) is bonded in a distorted trigonal planar geometry to three equivalent Li(1) and six equivalent Ba(1) atoms.