LiBaAs crystallizes in the hexagonal P-6m2 space group. Li(1) is bonded in a trigonal planar geometry to six equivalent Ba(1) and three equivalent As(1) atoms. Ba(1) is bonded to six equivalent Li(1) and six equivalent As(1) atoms to form a mixture of distorted edge and face-sharing BaLi6As6 cuboctahedra. As(1) is bonded in a distorted trigonal planar geometry to three equivalent Li(1) and six equivalent Ba(1) atoms.
LiBaAs crystallizes in the hexagonal P-6m2 space group. Li(1) is bonded in a trigonal planar geometry to six equivalent Ba(1) and three equivalent As(1) atoms. All Li(1)-Ba(1) bond lengths are 3.49 Å. All Li(1)-As(1) bond lengths are 2.62 Å. Ba(1) is bonded to six equivalent Li(1) and six equivalent As(1) atoms to form a mixture of distorted edge and face-sharing BaLi6As6 cuboctahedra. All Ba(1)-As(1) bond lengths are 3.49 Å. As(1) is bonded in a distorted trigonal planar geometry to three equivalent Li(1) and six equivalent Ba(1) atoms.