Li2PS3 crystallizes in the hexagonal P6_3cm space group. Li(1) is bonded to six equivalent S(1) atoms to form a mixture of corner, edge, and face-sharing LiS6 octahedra. The corner-sharing octahedral tilt angles are 48°. P(1) is bonded in a trigonal planar geometry to three equivalent S(1) atoms. S(1) is bonded in a 5-coordinate geometry to four equivalent Li(1) and one P(1) atom.
Li2PS3 crystallizes in the hexagonal P6_3cm space group. Li(1) is bonded to six equivalent S(1) atoms to form a mixture of corner, edge, and face-sharing LiS6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are three shorter (2.58 Å) and three longer (2.65 Å) Li(1)-S(1) bond lengths. P(1) is bonded in a trigonal planar geometry to three equivalent S(1) atoms. All P(1)-S(1) bond lengths are 2.03 Å. S(1) is bonded in a 5-coordinate geometry to four equivalent Li(1) and one P(1) atom.