Li4Cr2Fe3Sn3O16 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra, and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-64°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Sn(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-64°. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra,  an edgeedge with one Sn(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Sn(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra, and corners with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with two equivalent Sn(2)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the second Cr site, Cr(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Sn(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Sn(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with four equivalent Sn(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 50°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Sn(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form SnO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 52-53°. In the second Sn site, Sn(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form SnO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Cr(2)O6 octahedra, edges with four equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Cr(1), one Fe(2), and one Sn(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Cr(1), and two equivalent Sn(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), and two equivalent Sn(1) atoms. In the fourth O site, O(4) is bonded in a distorted tetrahedral geometry to one Li(3), one Fe(1), and two equivalent Sn(1) atoms. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to one Li(2), two equivalent Fe(2), and one Sn(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Cr(1), one Fe(1), and one Sn(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(2), and two equivalent Sn(1) atoms. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Cr(1), and two equivalent Fe(2) atoms. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cr(2), one Fe(2), and one Sn(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent Fe(2), and one Sn(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(2), one Fe(1), and one Sn(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cr(2), and two equivalent Fe(2) atoms.
Li4Cr2Fe3Sn3O16 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra, and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-64°. The Li(1)-O(12) bond length is 2.06 Å. The Li(1)-O(3) bond length is 2.03 Å. Both Li(1)-O(9) bond lengths are 2.02 Å. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Sn(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-64°. The Li(2)-O(5) bond length is 1.79 Å. The Li(2)-O(7) bond length is 2.11 Å. Both Li(2)-O(11) bond lengths are 1.98 Å. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra,  an edgeedge with one Sn(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. The Li(3)-O(4) bond length is 1.79 Å. The Li(3)-O(8) bond length is 1.95 Å. Both Li(3)-O(1) bond lengths are 2.03 Å. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Sn(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra, and corners with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. The Li(4)-O(10) bond length is 2.00 Å. The Li(4)-O(2) bond length is 2.02 Å. Both Li(4)-O(6) bond lengths are 2.05 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with two equivalent Sn(2)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. The Cr(1)-O(2) bond length is 2.10 Å. The Cr(1)-O(8) bond length is 2.05 Å. Both Cr(1)-O(1) bond lengths are 2.07 Å. Both Cr(1)-O(6) bond lengths are 2.07 Å. In the second Cr site, Cr(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Sn(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Sn(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. The Cr(2)-O(12) bond length is 2.03 Å. The Cr(2)-O(7) bond length is 2.14 Å. Both Cr(2)-O(11) bond lengths are 2.10 Å. Both Cr(2)-O(9) bond lengths are 2.06 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with four equivalent Sn(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 50°. The Fe(1)-O(3) bond length is 2.04 Å. The Fe(1)-O(4) bond length is 2.01 Å. Both Fe(1)-O(11) bond lengths are 2.08 Å. Both Fe(1)-O(6) bond lengths are 2.06 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Sn(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. The Fe(2)-O(1) bond length is 2.10 Å. The Fe(2)-O(10) bond length is 2.01 Å. The Fe(2)-O(12) bond length is 2.05 Å. The Fe(2)-O(5) bond length is 1.99 Å. The Fe(2)-O(8) bond length is 2.10 Å. The Fe(2)-O(9) bond length is 2.04 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form SnO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 52-53°. The Sn(1)-O(11) bond length is 2.10 Å. The Sn(1)-O(2) bond length is 2.11 Å. The Sn(1)-O(3) bond length is 2.08 Å. The Sn(1)-O(4) bond length is 2.06 Å. The Sn(1)-O(6) bond length is 2.11 Å. The Sn(1)-O(7) bond length is 2.10 Å. In the second Sn site, Sn(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form SnO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Cr(2)O6 octahedra, edges with four equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. The Sn(2)-O(10) bond length is 2.09 Å. The Sn(2)-O(5) bond length is 2.07 Å. Both Sn(2)-O(1) bond lengths are 2.11 Å. Both Sn(2)-O(9) bond lengths are 2.10 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Cr(1), one Fe(2), and one Sn(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Cr(1), and two equivalent Sn(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), and two equivalent Sn(1) atoms. In the fourth O site, O(4) is bonded in a distorted tetrahedral geometry to one Li(3), one Fe(1), and two equivalent Sn(1) atoms. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to one Li(2), two equivalent Fe(2), and one Sn(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Cr(1), one Fe(1), and one Sn(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(2), and two equivalent Sn(1) atoms. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Cr(1), and two equivalent Fe(2) atoms. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cr(2), one Fe(2), and one Sn(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent Fe(2), and one Sn(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(2), one Fe(1), and one Sn(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cr(2), and two equivalent Fe(2) atoms.