LiNaMnS2 crystallizes in the trigonal P3m1 space group. Na(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form distorted NaS6 octahedra that share corners with six equivalent Li(1)S4 tetrahedra, corners with six equivalent Mn(1)S4 tetrahedra, edges with six equivalent Na(1)S6 octahedra, edges with three equivalent Li(1)S4 tetrahedra, and edges with three equivalent Mn(1)S4 tetrahedra. Li(1) is bonded to one S(1) and three equivalent S(2) atoms to form distorted LiS4 tetrahedra that share corners with six equivalent Na(1)S6 octahedra, corners with six equivalent Li(1)S4 tetrahedra, edges with three equivalent Na(1)S6 octahedra, and edges with three equivalent Mn(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-47°. Mn(1) is bonded to one S(2) and three equivalent S(1) atoms to form distorted MnS4 tetrahedra that share corners with six equivalent Na(1)S6 octahedra, corners with six equivalent Mn(1)S4 tetrahedra, edges with three equivalent Na(1)S6 octahedra, and edges with three equivalent Li(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-51°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to three equivalent Na(1), one Li(1), and three equivalent Mn(1) atoms. In the second S site, S(2) is bonded in a 7-coordinate geometry to three equivalent Na(1), three equivalent Li(1), and one Mn(1) atom.
LiNaMnS2 crystallizes in the trigonal P3m1 space group. Na(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form distorted NaS6 octahedra that share corners with six equivalent Li(1)S4 tetrahedra, corners with six equivalent Mn(1)S4 tetrahedra, edges with six equivalent Na(1)S6 octahedra, edges with three equivalent Li(1)S4 tetrahedra, and edges with three equivalent Mn(1)S4 tetrahedra. All Na(1)-S(1) bond lengths are 2.98 Å. All Na(1)-S(2) bond lengths are 2.82 Å. Li(1) is bonded to one S(1) and three equivalent S(2) atoms to form distorted LiS4 tetrahedra that share corners with six equivalent Na(1)S6 octahedra, corners with six equivalent Li(1)S4 tetrahedra, edges with three equivalent Na(1)S6 octahedra, and edges with three equivalent Mn(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-47°. The Li(1)-S(1) bond length is 2.36 Å. All Li(1)-S(2) bond lengths are 2.24 Å. Mn(1) is bonded to one S(2) and three equivalent S(1) atoms to form distorted MnS4 tetrahedra that share corners with six equivalent Na(1)S6 octahedra, corners with six equivalent Mn(1)S4 tetrahedra, edges with three equivalent Na(1)S6 octahedra, and edges with three equivalent Li(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-51°. The Mn(1)-S(2) bond length is 2.31 Å. All Mn(1)-S(1) bond lengths are 2.25 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to three equivalent Na(1), one Li(1), and three equivalent Mn(1) atoms. In the second S site, S(2) is bonded in a 7-coordinate geometry to three equivalent Na(1), three equivalent Li(1), and one Mn(1) atom.