Materials Data on BaLiP by Materials Project

LiBaP crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li1+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Li–P bond lengths are 2.62 Å. Ba2+ is bonded to six equivalent P3- atoms to form a mixture of corner, edge, and face-sharing BaP6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Ba–P bond lengths are 3.41 Å. P3- is bonded in a distorted trigonal planar geometry to three equivalent Li1+ and six equivalent Ba2+ atoms.