Li(MnS2)2 crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form LiS6 octahedra that share corners with six equivalent Mn(2)S6 octahedra, edges with two equivalent Li(1)S6 octahedra, edges with two equivalent Mn(2)S6 octahedra, and edges with four equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form MnS6 octahedra that share edges with two equivalent Mn(1)S6 octahedra, edges with four equivalent Li(1)S6 octahedra, and edges with four equivalent Mn(2)S6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form MnS6 octahedra that share corners with six equivalent Li(1)S6 octahedra, edges with two equivalent Li(1)S6 octahedra, edges with two equivalent Mn(2)S6 octahedra, and edges with four equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(2), and two equivalent Mn(1) atoms. In the second S site, S(2) is bonded to two equivalent Li(1), one Mn(1), and two equivalent Mn(2) atoms to form a mixture of corner and edge-sharing SLi2Mn3 square pyramids.
Li(MnS2)2 crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form LiS6 octahedra that share corners with six equivalent Mn(2)S6 octahedra, edges with two equivalent Li(1)S6 octahedra, edges with two equivalent Mn(2)S6 octahedra, and edges with four equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. Both Li(1)-S(1) bond lengths are 2.52 Å. All Li(1)-S(2) bond lengths are 2.53 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form MnS6 octahedra that share edges with two equivalent Mn(1)S6 octahedra, edges with four equivalent Li(1)S6 octahedra, and edges with four equivalent Mn(2)S6 octahedra. Both Mn(1)-S(2) bond lengths are 2.36 Å. All Mn(1)-S(1) bond lengths are 2.37 Å. In the second Mn site, Mn(2) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form MnS6 octahedra that share corners with six equivalent Li(1)S6 octahedra, edges with two equivalent Li(1)S6 octahedra, edges with two equivalent Mn(2)S6 octahedra, and edges with four equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. Both Mn(2)-S(1) bond lengths are 2.47 Å. All Mn(2)-S(2) bond lengths are 2.44 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(2), and two equivalent Mn(1) atoms. In the second S site, S(2) is bonded to two equivalent Li(1), one Mn(1), and two equivalent Mn(2) atoms to form a mixture of corner and edge-sharing SLi2Mn3 square pyramids.