LiCoSnO4 is Spinel-derived structured and crystallizes in the monoclinic C2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form LiO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra, and corners with three equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. In the second Li site, Li(2) is bonded to two equivalent O(1) and two equivalent O(6) atoms to form LiO4 tetrahedra that share corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, and corners with four equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. In the third Li site, Li(3) is bonded to two equivalent O(2) and two equivalent O(5) atoms to form LiO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, and corners with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(6), one O(7), and two equivalent O(3) atoms to form CoO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra, and edges with three equivalent Sn(2)O6 octahedra. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(5), one O(8), and two equivalent O(4) atoms to form CoO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Sn(2)O6 octahedra, and edges with three equivalent Sn(1)O6 octahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(8) atoms to form SnO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra,  an edgeedge with one Sn(2)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. In the second Sn site, Sn(2) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(7) atoms to form SnO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra,  an edgeedge with one Sn(2)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(3), one Co(2), one Sn(1), and one Sn(2) atom. In the second O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Sn(1), and one Sn(2) atom. In the third O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), and two equivalent Sn(2) atoms. In the fourth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), and two equivalent Sn(1) atoms. In the fifth O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Co(2), and one Sn(2) atom. In the sixth O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(3), one Co(1), one Co(2), and one Sn(1) atom. In the seventh O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Co(1), and one Sn(2) atom. In the eighth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Co(2), and one Sn(1) atom.
LiCoSnO4 is Spinel-derived structured and crystallizes in the monoclinic C2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form LiO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra, and corners with three equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. The Li(1)-O(3) bond length is 2.12 Å. The Li(1)-O(4) bond length is 2.12 Å. The Li(1)-O(7) bond length is 1.99 Å. The Li(1)-O(8) bond length is 2.00 Å. In the second Li site, Li(2) is bonded to two equivalent O(1) and two equivalent O(6) atoms to form LiO4 tetrahedra that share corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, and corners with four equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. Both Li(2)-O(1) bond lengths are 2.13 Å. Both Li(2)-O(6) bond lengths are 2.00 Å. In the third Li site, Li(3) is bonded to two equivalent O(2) and two equivalent O(5) atoms to form LiO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, and corners with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. Both Li(3)-O(2) bond lengths are 2.13 Å. Both Li(3)-O(5) bond lengths are 2.00 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(6), one O(7), and two equivalent O(3) atoms to form CoO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra, and edges with three equivalent Sn(2)O6 octahedra. The Co(1)-O(1) bond length is 2.12 Å. The Co(1)-O(2) bond length is 1.94 Å. The Co(1)-O(6) bond length is 2.11 Å. The Co(1)-O(7) bond length is 2.11 Å. There is one shorter (1.95 Å) and one longer (2.10 Å) Co(1)-O(3) bond length. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(5), one O(8), and two equivalent O(4) atoms to form CoO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Sn(2)O6 octahedra, and edges with three equivalent Sn(1)O6 octahedra. The Co(2)-O(1) bond length is 1.94 Å. The Co(2)-O(2) bond length is 2.12 Å. The Co(2)-O(5) bond length is 2.11 Å. The Co(2)-O(8) bond length is 2.11 Å. There is one shorter (1.95 Å) and one longer (2.10 Å) Co(2)-O(4) bond length. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(8) atoms to form SnO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra,  an edgeedge with one Sn(2)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. The Sn(1)-O(2) bond length is 2.10 Å. The Sn(1)-O(4) bond length is 2.10 Å. The Sn(1)-O(5) bond length is 2.10 Å. The Sn(1)-O(6) bond length is 2.10 Å. Both Sn(1)-O(8) bond lengths are 2.10 Å. In the second Sn site, Sn(2) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(7) atoms to form SnO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra,  an edgeedge with one Sn(2)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The Sn(2)-O(1) bond length is 2.10 Å. The Sn(2)-O(3) bond length is 2.10 Å. The Sn(2)-O(5) bond length is 2.10 Å. The Sn(2)-O(6) bond length is 2.10 Å. Both Sn(2)-O(7) bond lengths are 2.10 Å. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(3), one Co(2), one Sn(1), and one Sn(2) atom. In the second O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Sn(1), and one Sn(2) atom. In the third O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), and two equivalent Sn(2) atoms. In the fourth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), and two equivalent Sn(1) atoms. In the fifth O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Co(2), and one Sn(2) atom. In the sixth O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(3), one Co(1), one Co(2), and one Sn(1) atom. In the seventh O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Co(1), and one Sn(2) atom. In the eighth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Co(2), and one Sn(1) atom.