Li2Fe3SnO8 is Spinel-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form LiO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, and corners with three equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. In the second Li site, Li(2) is bonded to one O(2), one O(6), one O(7), and one O(8) atom to form LiO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, and corners with three equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form FeO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form FeO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. Sn(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form SnO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), one Fe(2), and one Fe(3) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Fe(1), one Fe(2), and one Fe(3) atom. In the third O site, O(3) is bonded to one Li(1), one Fe(1), one Fe(2), and one Sn(1) atom to form a mixture of distorted edge and corner-sharing OLiFe2Sn trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Fe(1), one Fe(3), and one Sn(1) atom to form a mixture of distorted edge and corner-sharing OLiFe2Sn trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(1), one Fe(2), one Fe(3), and one Sn(1) atom to form a mixture of distorted edge and corner-sharing OLiFe2Sn trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(2), one Fe(2), one Fe(3), and one Sn(1) atom to form a mixture of distorted edge and corner-sharing OLiFe2Sn trigonal pyramids. In the seventh O site, O(7) is bonded to one Li(2), one Fe(1), one Fe(3), and one Sn(1) atom to form a mixture of distorted edge and corner-sharing OLiFe2Sn trigonal pyramids. In the eighth O site, O(8) is bonded to one Li(2), one Fe(1), one Fe(2), and one Sn(1) atom to form a mixture of distorted edge and corner-sharing OLiFe2Sn trigonal pyramids.
Li2Fe3SnO8 is Spinel-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form LiO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, and corners with three equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. The Li(1)-O(1) bond length is 2.18 Å. The Li(1)-O(3) bond length is 1.96 Å. The Li(1)-O(4) bond length is 2.02 Å. The Li(1)-O(5) bond length is 2.02 Å. In the second Li site, Li(2) is bonded to one O(2), one O(6), one O(7), and one O(8) atom to form LiO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, and corners with three equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. The Li(2)-O(2) bond length is 2.19 Å. The Li(2)-O(6) bond length is 2.02 Å. The Li(2)-O(7) bond length is 2.01 Å. The Li(2)-O(8) bond length is 1.97 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The Fe(1)-O(1) bond length is 2.08 Å. The Fe(1)-O(2) bond length is 2.08 Å. The Fe(1)-O(3) bond length is 2.05 Å. The Fe(1)-O(4) bond length is 2.04 Å. The Fe(1)-O(7) bond length is 2.05 Å. The Fe(1)-O(8) bond length is 2.04 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form FeO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The Fe(2)-O(1) bond length is 2.08 Å. The Fe(2)-O(2) bond length is 2.08 Å. The Fe(2)-O(3) bond length is 2.04 Å. The Fe(2)-O(5) bond length is 2.04 Å. The Fe(2)-O(6) bond length is 2.04 Å. The Fe(2)-O(8) bond length is 2.04 Å. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form FeO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The Fe(3)-O(1) bond length is 1.90 Å. The Fe(3)-O(2) bond length is 1.90 Å. The Fe(3)-O(4) bond length is 2.06 Å. The Fe(3)-O(5) bond length is 2.04 Å. The Fe(3)-O(6) bond length is 2.04 Å. The Fe(3)-O(7) bond length is 2.07 Å. Sn(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form SnO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The Sn(1)-O(3) bond length is 2.08 Å. The Sn(1)-O(4) bond length is 2.10 Å. The Sn(1)-O(5) bond length is 2.11 Å. The Sn(1)-O(6) bond length is 2.11 Å. The Sn(1)-O(7) bond length is 2.09 Å. The Sn(1)-O(8) bond length is 2.08 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), one Fe(2), and one Fe(3) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Fe(1), one Fe(2), and one Fe(3) atom. In the third O site, O(3) is bonded to one Li(1), one Fe(1), one Fe(2), and one Sn(1) atom to form a mixture of distorted edge and corner-sharing OLiFe2Sn trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Fe(1), one Fe(3), and one Sn(1) atom to form a mixture of distorted edge and corner-sharing OLiFe2Sn trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(1), one Fe(2), one Fe(3), and one Sn(1) atom to form a mixture of distorted edge and corner-sharing OLiFe2Sn trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(2), one Fe(2), one Fe(3), and one Sn(1) atom to form a mixture of distorted edge and corner-sharing OLiFe2Sn trigonal pyramids. In the seventh O site, O(7) is bonded to one Li(2), one Fe(1), one Fe(3), and one Sn(1) atom to form a mixture of distorted edge and corner-sharing OLiFe2Sn trigonal pyramids. In the eighth O site, O(8) is bonded to one Li(2), one Fe(1), one Fe(2), and one Sn(1) atom to form a mixture of distorted edge and corner-sharing OLiFe2Sn trigonal pyramids.