Li4Fe3Ni2Sn3O16 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 Ni(2)O6 octahedra, and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-64°. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(11) atoms. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. 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 Ni(1)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 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 Ni(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. 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 Ni(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Sn(2)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, 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 51-57°. In the second Ni site, Ni(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form NiO6 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,  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 49-55°. 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 Ni(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. 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 Ni(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. 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 Fe(2), one Ni(1), and one Sn(2) atom. In the second O site, O(2) is bonded to one Li(4), one Ni(1), and two equivalent Sn(1) atoms to form distorted OLiNiSn2 tetrahedra that share corners with two equivalent O(6)LiFeNiSn tetrahedra, corners with two equivalent O(4)LiFeSn2 tetrahedra,  a cornercorner with one O(8)LiFe2Ni trigonal pyramid, and edges with two equivalent O(6)LiFeNiSn tetrahedra. In the third O site, O(3) is bonded in a distorted 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 to one Li(3), one Fe(1), and two equivalent Sn(1) atoms to form distorted OLiFeSn2 tetrahedra that share corners with two equivalent O(2)LiNiSn2 tetrahedra, corners with four equivalent O(6)LiFeNiSn tetrahedra, and  a cornercorner with one O(8)LiFe2Ni trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Fe(2), and one Sn(2) atom to form distorted OLiFe2Sn tetrahedra that share corners with two equivalent O(12)LiFe2Ni tetrahedra, corners with four equivalent O(9)LiFeNiSn tetrahedra, and  an edgeedge with one O(8)LiFe2Ni trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(4), one Fe(1), one Ni(1), and one Sn(1) atom to form distorted OLiFeNiSn tetrahedra that share  a cornercorner with one O(6)LiFeNiSn tetrahedra,  a cornercorner with one O(2)LiNiSn2 tetrahedra, corners with two equivalent O(4)LiFeSn2 tetrahedra,  a cornercorner with one O(8)LiFe2Ni trigonal pyramid,  an edgeedge with one O(6)LiFeNiSn tetrahedra, and  an edgeedge with one O(2)LiNiSn2 tetrahedra. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(2), and two equivalent Sn(1) atoms. In the eighth O site, O(8) is bonded to one Li(3), two equivalent Fe(2), and one Ni(1) atom to form distorted OLiFe2Ni trigonal pyramids that share  a cornercorner with one O(4)LiFeSn2 tetrahedra,  a cornercorner with one O(2)LiNiSn2 tetrahedra, corners with two equivalent O(12)LiFe2Ni tetrahedra, corners with two equivalent O(6)LiFeNiSn tetrahedra, corners with two equivalent O(9)LiFeNiSn tetrahedra, and  an edgeedge with one O(5)LiFe2Sn tetrahedra. In the ninth O site, O(9) is bonded to one Li(1), one Fe(2), one Ni(2), and one Sn(2) atom to form distorted OLiFeNiSn tetrahedra that share  a cornercorner with one O(12)LiFe2Ni tetrahedra,  a cornercorner with one O(9)LiFeNiSn tetrahedra, corners with two equivalent O(5)LiFe2Sn tetrahedra,  a cornercorner with one O(8)LiFe2Ni trigonal pyramid,  an edgeedge with one O(12)LiFe2Ni tetrahedra, and  an edgeedge with one O(9)LiFeNiSn tetrahedra. 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 Fe(1), one Ni(2), and one Sn(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Fe(2), and one Ni(2) atom to form distorted OLiFe2Ni tetrahedra that share corners with two equivalent O(5)LiFe2Sn tetrahedra, corners with two equivalent O(9)LiFeNiSn tetrahedra, corners with two equivalent O(8)LiFe2Ni trigonal pyramids, and edges with two equivalent O(9)LiFeNiSn tetrahedra.
Li4Fe3Ni2Sn3O16 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 Ni(2)O6 octahedra, and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-64°. The Li(1)-O(12) bond length is 2.09 Å. The Li(1)-O(3) bond length is 2.06 Å. Both Li(1)-O(9) bond lengths are 1.99 Å. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(11) atoms. The Li(2)-O(5) bond length is 1.77 Å. The Li(2)-O(7) bond length is 2.08 Å. Both Li(2)-O(11) bond lengths are 1.93 Å. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. The Li(3)-O(4) bond length is 1.78 Å. The Li(3)-O(8) bond length is 1.90 Å. Both Li(3)-O(1) bond lengths are 1.99 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 Ni(1)O6 octahedra, and corners with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. The Li(4)-O(10) bond length is 2.00 Å. The Li(4)-O(2) bond length is 1.95 Å. Both Li(4)-O(6) 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 Ni(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. The Fe(1)-O(3) bond length is 2.09 Å. The Fe(1)-O(4) bond length is 2.04 Å. Both Fe(1)-O(11) bond lengths are 1.98 Å. Both Fe(1)-O(6) bond lengths are 1.95 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 Ni(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. The Fe(2)-O(1) bond length is 1.98 Å. The Fe(2)-O(10) bond length is 2.05 Å. The Fe(2)-O(12) bond length is 2.01 Å. The Fe(2)-O(5) bond length is 2.02 Å. The Fe(2)-O(8) bond length is 2.04 Å. The Fe(2)-O(9) bond length is 1.95 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Sn(2)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, 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 51-57°. The Ni(1)-O(2) bond length is 2.15 Å. The Ni(1)-O(8) bond length is 2.16 Å. Both Ni(1)-O(1) bond lengths are 2.12 Å. Both Ni(1)-O(6) bond lengths are 2.20 Å. In the second Ni site, Ni(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form NiO6 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,  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 49-55°. The Ni(2)-O(12) bond length is 2.18 Å. The Ni(2)-O(7) bond length is 2.08 Å. Both Ni(2)-O(11) bond lengths are 2.17 Å. Both Ni(2)-O(9) bond lengths are 2.15 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 Ni(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. The Sn(1)-O(11) bond length is 2.12 Å. The Sn(1)-O(2) bond length is 2.07 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 2.12 Å. The Sn(1)-O(7) bond length is 2.08 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 Ni(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. The Sn(2)-O(10) bond length is 2.07 Å. The Sn(2)-O(5) bond length is 2.06 Å. Both Sn(2)-O(1) bond lengths are 2.11 Å. Both Sn(2)-O(9) bond lengths are 2.11 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 Fe(2), one Ni(1), and one Sn(2) atom. In the second O site, O(2) is bonded to one Li(4), one Ni(1), and two equivalent Sn(1) atoms to form distorted OLiNiSn2 tetrahedra that share corners with two equivalent O(6)LiFeNiSn tetrahedra, corners with two equivalent O(4)LiFeSn2 tetrahedra,  a cornercorner with one O(8)LiFe2Ni trigonal pyramid, and edges with two equivalent O(6)LiFeNiSn tetrahedra. In the third O site, O(3) is bonded in a distorted 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 to one Li(3), one Fe(1), and two equivalent Sn(1) atoms to form distorted OLiFeSn2 tetrahedra that share corners with two equivalent O(2)LiNiSn2 tetrahedra, corners with four equivalent O(6)LiFeNiSn tetrahedra, and  a cornercorner with one O(8)LiFe2Ni trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Fe(2), and one Sn(2) atom to form distorted OLiFe2Sn tetrahedra that share corners with two equivalent O(12)LiFe2Ni tetrahedra, corners with four equivalent O(9)LiFeNiSn tetrahedra, and  an edgeedge with one O(8)LiFe2Ni trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(4), one Fe(1), one Ni(1), and one Sn(1) atom to form distorted OLiFeNiSn tetrahedra that share  a cornercorner with one O(6)LiFeNiSn tetrahedra,  a cornercorner with one O(2)LiNiSn2 tetrahedra, corners with two equivalent O(4)LiFeSn2 tetrahedra,  a cornercorner with one O(8)LiFe2Ni trigonal pyramid,  an edgeedge with one O(6)LiFeNiSn tetrahedra, and  an edgeedge with one O(2)LiNiSn2 tetrahedra. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(2), and two equivalent Sn(1) atoms. In the eighth O site, O(8) is bonded to one Li(3), two equivalent Fe(2), and one Ni(1) atom to form distorted OLiFe2Ni trigonal pyramids that share  a cornercorner with one O(4)LiFeSn2 tetrahedra,  a cornercorner with one O(2)LiNiSn2 tetrahedra, corners with two equivalent O(12)LiFe2Ni tetrahedra, corners with two equivalent O(6)LiFeNiSn tetrahedra, corners with two equivalent O(9)LiFeNiSn tetrahedra, and  an edgeedge with one O(5)LiFe2Sn tetrahedra. In the ninth O site, O(9) is bonded to one Li(1), one Fe(2), one Ni(2), and one Sn(2) atom to form distorted OLiFeNiSn tetrahedra that share  a cornercorner with one O(12)LiFe2Ni tetrahedra,  a cornercorner with one O(9)LiFeNiSn tetrahedra, corners with two equivalent O(5)LiFe2Sn tetrahedra,  a cornercorner with one O(8)LiFe2Ni trigonal pyramid,  an edgeedge with one O(12)LiFe2Ni tetrahedra, and  an edgeedge with one O(9)LiFeNiSn tetrahedra. 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 Fe(1), one Ni(2), and one Sn(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Fe(2), and one Ni(2) atom to form distorted OLiFe2Ni tetrahedra that share corners with two equivalent O(5)LiFe2Sn tetrahedra, corners with two equivalent O(9)LiFeNiSn tetrahedra, corners with two equivalent O(8)LiFe2Ni trigonal pyramids, and edges with two equivalent O(9)LiFeNiSn tetrahedra.