Li2MnSnS4 is Stannite-like structured and crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form LiS4 tetrahedra that share corners with four equivalent Li(2)S4 tetrahedra, corners with four equivalent Mn(1)S4 tetrahedra, and corners with four equivalent Sn(1)S4 tetrahedra. In the second Li site, Li(2) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form LiS4 tetrahedra that share corners with four equivalent Li(1)S4 tetrahedra, corners with four equivalent Mn(1)S4 tetrahedra, and corners with four equivalent Sn(1)S4 tetrahedra. Mn(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form MnS4 tetrahedra that share corners with four equivalent Li(1)S4 tetrahedra, corners with four equivalent Li(2)S4 tetrahedra, and corners with four equivalent Sn(1)S4 tetrahedra. Sn(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form SnS4 tetrahedra that share corners with four equivalent Li(1)S4 tetrahedra, corners with four equivalent Li(2)S4 tetrahedra, and corners with four equivalent Mn(1)S4 tetrahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Li(1), one Li(2), one Mn(1), and one Sn(1) atom to form corner-sharing SLi2MnSn tetrahedra. In the second S site, S(2) is bonded to one Li(1), one Li(2), one Mn(1), and one Sn(1) atom to form corner-sharing SLi2MnSn tetrahedra. In the third S site, S(3) is bonded to one Li(1), one Li(2), one Mn(1), and one Sn(1) atom to form corner-sharing SLi2MnSn tetrahedra. In the fourth S site, S(4) is bonded to one Li(1), one Li(2), one Mn(1), and one Sn(1) atom to form corner-sharing SLi2MnSn tetrahedra.
Li2MnSnS4 is Stannite-like structured and crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form LiS4 tetrahedra that share corners with four equivalent Li(2)S4 tetrahedra, corners with four equivalent Mn(1)S4 tetrahedra, and corners with four equivalent Sn(1)S4 tetrahedra. The Li(1)-S(1) bond length is 2.44 Å. The Li(1)-S(2) bond length is 2.47 Å. The Li(1)-S(3) bond length is 2.45 Å. The Li(1)-S(4) bond length is 2.44 Å. In the second Li site, Li(2) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form LiS4 tetrahedra that share corners with four equivalent Li(1)S4 tetrahedra, corners with four equivalent Mn(1)S4 tetrahedra, and corners with four equivalent Sn(1)S4 tetrahedra. The Li(2)-S(1) bond length is 2.44 Å. The Li(2)-S(2) bond length is 2.44 Å. The Li(2)-S(3) bond length is 2.43 Å. The Li(2)-S(4) bond length is 2.42 Å. Mn(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form MnS4 tetrahedra that share corners with four equivalent Li(1)S4 tetrahedra, corners with four equivalent Li(2)S4 tetrahedra, and corners with four equivalent Sn(1)S4 tetrahedra. The Mn(1)-S(1) bond length is 2.41 Å. The Mn(1)-S(2) bond length is 2.41 Å. The Mn(1)-S(3) bond length is 2.41 Å. The Mn(1)-S(4) bond length is 2.39 Å. Sn(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form SnS4 tetrahedra that share corners with four equivalent Li(1)S4 tetrahedra, corners with four equivalent Li(2)S4 tetrahedra, and corners with four equivalent Mn(1)S4 tetrahedra. The Sn(1)-S(1) bond length is 2.40 Å. The Sn(1)-S(2) bond length is 2.41 Å. The Sn(1)-S(3) bond length is 2.40 Å. The Sn(1)-S(4) bond length is 2.41 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Li(1), one Li(2), one Mn(1), and one Sn(1) atom to form corner-sharing SLi2MnSn tetrahedra. In the second S site, S(2) is bonded to one Li(1), one Li(2), one Mn(1), and one Sn(1) atom to form corner-sharing SLi2MnSn tetrahedra. In the third S site, S(3) is bonded to one Li(1), one Li(2), one Mn(1), and one Sn(1) atom to form corner-sharing SLi2MnSn tetrahedra. In the fourth S site, S(4) is bonded to one Li(1), one Li(2), one Mn(1), and one Sn(1) atom to form corner-sharing SLi2MnSn tetrahedra.