LiCoSnO4 is Spinel-derived structured and crystallizes in the tetragonal P4_322 space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. Co(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CoO4 tetrahedra that share corners with six equivalent Li(1)O6 octahedra and corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-60°. Sn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SnO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra, edges with two equivalent Sn(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Co(1), and one Sn(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), and two equivalent Sn(1) atoms.
LiCoSnO4 is Spinel-derived structured and crystallizes in the tetragonal P4_322 space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. Both Li(1)-O(2) bond lengths are 2.26 Å. There are two shorter (2.05 Å) and two longer (2.17 Å) Li(1)-O(1) bond lengths. Co(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CoO4 tetrahedra that share corners with six equivalent Li(1)O6 octahedra and corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-60°. Both Co(1)-O(1) bond lengths are 1.82 Å. Both Co(1)-O(2) bond lengths are 2.01 Å. Sn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SnO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra, edges with two equivalent Sn(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. Both Sn(1)-O(1) bond lengths are 2.06 Å. There are two shorter (2.10 Å) and two longer (2.13 Å) Sn(1)-O(2) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Co(1), and one Sn(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), and two equivalent Sn(1) atoms.