Li4Ti3Mn2Sn3O16 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 Ti(1)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-67°. In the second Li site, Li(2) is bonded in a 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 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 Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, and corners with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-65°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the second Ti site, Ti(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 TiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted MnO6 octahedra that share corners with two equivalent Sn(2)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-58°. In the second Mn site, Mn(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted MnO6 octahedra that share corners with two equivalent Ti(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 Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. 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 Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. 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 Mn(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Ti(2), one Mn(1), and one Sn(2) atom. In the second O site, O(2) is bonded to one Li(4), one Mn(1), and two equivalent Sn(1) atoms to form distorted OLiMnSn2 tetrahedra that share corners with two equivalent O(6)LiTiMnSn tetrahedra, corners with two equivalent O(4)LiTiSn2 tetrahedra,  a cornercorner with one O(8)LiTi2Mn trigonal pyramid, and edges with two equivalent O(6)LiTiMnSn tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(1), and two equivalent Sn(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Ti(1), and two equivalent Sn(1) atoms to form distorted OLiTiSn2 tetrahedra that share corners with two equivalent O(2)LiMnSn2 tetrahedra, corners with four equivalent O(6)LiTiMnSn tetrahedra, and  a cornercorner with one O(8)LiTi2Mn trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Ti(2), and one Sn(2) atom to form distorted OLiTi2Sn tetrahedra that share corners with two equivalent O(12)LiTi2Mn tetrahedra, corners with four equivalent O(9)LiTiMnSn tetrahedra, and  an edgeedge with one O(8)LiTi2Mn trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(4), one Ti(1), one Mn(1), and one Sn(1) atom to form distorted OLiTiMnSn tetrahedra that share  a cornercorner with one O(2)LiMnSn2 tetrahedra,  a cornercorner with one O(6)LiTiMnSn tetrahedra, corners with two equivalent O(4)LiTiSn2 tetrahedra,  a cornercorner with one O(8)LiTi2Mn trigonal pyramid,  an edgeedge with one O(2)LiMnSn2 tetrahedra, and  an edgeedge with one O(6)LiTiMnSn tetrahedra. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(2), and two equivalent Sn(1) atoms. In the eighth O site, O(8) is bonded to one Li(3), two equivalent Ti(2), and one Mn(1) atom to form distorted OLiTi2Mn trigonal pyramids that share  a cornercorner with one O(2)LiMnSn2 tetrahedra,  a cornercorner with one O(4)LiTiSn2 tetrahedra, corners with two equivalent O(12)LiTi2Mn tetrahedra, corners with two equivalent O(6)LiTiMnSn tetrahedra, corners with two equivalent O(9)LiTiMnSn tetrahedra, and  an edgeedge with one O(5)LiTi2Sn tetrahedra. In the ninth O site, O(9) is bonded to one Li(1), one Ti(2), one Mn(2), and one Sn(2) atom to form distorted OLiTiMnSn tetrahedra that share  a cornercorner with one O(12)LiTi2Mn tetrahedra,  a cornercorner with one O(9)LiTiMnSn tetrahedra, corners with two equivalent O(5)LiTi2Sn tetrahedra,  a cornercorner with one O(8)LiTi2Mn trigonal pyramid,  an edgeedge with one O(12)LiTi2Mn tetrahedra, and  an edgeedge with one O(9)LiTiMnSn tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent Ti(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 Ti(1), one Mn(2), and one Sn(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Ti(2), and one Mn(2) atom to form distorted OLiTi2Mn tetrahedra that share corners with two equivalent O(5)LiTi2Sn tetrahedra, corners with two equivalent O(9)LiTiMnSn tetrahedra, corners with two equivalent O(8)LiTi2Mn trigonal pyramids, and edges with two equivalent O(9)LiTiMnSn tetrahedra.
Li4Ti3Mn2Sn3O16 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 Ti(1)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-67°. The Li(1)-O(12) bond length is 2.10 Å. The Li(1)-O(3) bond length is 2.15 Å. Both Li(1)-O(9) bond lengths are 2.02 Å. In the second Li site, Li(2) is bonded in a 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 1.82 Å. The Li(2)-O(7) bond length is 2.03 Å. Both Li(2)-O(11) bond lengths are 1.94 Å. In the third Li site, Li(3) is bonded in a 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 1.82 Å. The Li(3)-O(8) bond length is 1.93 Å. Both Li(3)-O(1) bond lengths are 1.98 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 Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, and corners with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-65°. The Li(4)-O(10) bond length is 2.14 Å. The Li(4)-O(2) bond length is 2.01 Å. Both Li(4)-O(6) bond lengths are 2.04 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. The Ti(1)-O(3) bond length is 2.07 Å. The Ti(1)-O(4) bond length is 2.03 Å. Both Ti(1)-O(11) bond lengths are 2.02 Å. Both Ti(1)-O(6) bond lengths are 1.96 Å. In the second Ti site, Ti(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 TiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. The Ti(2)-O(1) bond length is 2.01 Å. The Ti(2)-O(10) bond length is 2.04 Å. The Ti(2)-O(12) bond length is 1.97 Å. The Ti(2)-O(5) bond length is 2.03 Å. The Ti(2)-O(8) bond length is 2.02 Å. The Ti(2)-O(9) bond length is 1.97 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted MnO6 octahedra that share corners with two equivalent Sn(2)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-58°. The Mn(1)-O(2) bond length is 2.34 Å. The Mn(1)-O(8) bond length is 2.18 Å. Both Mn(1)-O(1) bond lengths are 2.19 Å. Both Mn(1)-O(6) bond lengths are 2.37 Å. In the second Mn site, Mn(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted MnO6 octahedra that share corners with two equivalent Ti(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 Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. The Mn(2)-O(12) bond length is 2.37 Å. The Mn(2)-O(7) bond length is 2.20 Å. Both Mn(2)-O(11) bond lengths are 2.17 Å. Both Mn(2)-O(9) bond lengths are 2.34 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 Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. The Sn(1)-O(11) bond length is 2.10 Å. The Sn(1)-O(2) bond length is 2.07 Å. The Sn(1)-O(3) bond length is 2.13 Å. The Sn(1)-O(4) bond length is 2.11 Å. The Sn(1)-O(6) bond length is 2.10 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 Mn(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. The Sn(2)-O(10) bond length is 2.15 Å. The Sn(2)-O(5) bond length is 2.13 Å. Both Sn(2)-O(1) bond lengths are 2.09 Å. Both Sn(2)-O(9) bond lengths are 2.08 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Ti(2), one Mn(1), and one Sn(2) atom. In the second O site, O(2) is bonded to one Li(4), one Mn(1), and two equivalent Sn(1) atoms to form distorted OLiMnSn2 tetrahedra that share corners with two equivalent O(6)LiTiMnSn tetrahedra, corners with two equivalent O(4)LiTiSn2 tetrahedra,  a cornercorner with one O(8)LiTi2Mn trigonal pyramid, and edges with two equivalent O(6)LiTiMnSn tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(1), and two equivalent Sn(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Ti(1), and two equivalent Sn(1) atoms to form distorted OLiTiSn2 tetrahedra that share corners with two equivalent O(2)LiMnSn2 tetrahedra, corners with four equivalent O(6)LiTiMnSn tetrahedra, and  a cornercorner with one O(8)LiTi2Mn trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Ti(2), and one Sn(2) atom to form distorted OLiTi2Sn tetrahedra that share corners with two equivalent O(12)LiTi2Mn tetrahedra, corners with four equivalent O(9)LiTiMnSn tetrahedra, and  an edgeedge with one O(8)LiTi2Mn trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(4), one Ti(1), one Mn(1), and one Sn(1) atom to form distorted OLiTiMnSn tetrahedra that share  a cornercorner with one O(2)LiMnSn2 tetrahedra,  a cornercorner with one O(6)LiTiMnSn tetrahedra, corners with two equivalent O(4)LiTiSn2 tetrahedra,  a cornercorner with one O(8)LiTi2Mn trigonal pyramid,  an edgeedge with one O(2)LiMnSn2 tetrahedra, and  an edgeedge with one O(6)LiTiMnSn tetrahedra. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(2), and two equivalent Sn(1) atoms. In the eighth O site, O(8) is bonded to one Li(3), two equivalent Ti(2), and one Mn(1) atom to form distorted OLiTi2Mn trigonal pyramids that share  a cornercorner with one O(2)LiMnSn2 tetrahedra,  a cornercorner with one O(4)LiTiSn2 tetrahedra, corners with two equivalent O(12)LiTi2Mn tetrahedra, corners with two equivalent O(6)LiTiMnSn tetrahedra, corners with two equivalent O(9)LiTiMnSn tetrahedra, and  an edgeedge with one O(5)LiTi2Sn tetrahedra. In the ninth O site, O(9) is bonded to one Li(1), one Ti(2), one Mn(2), and one Sn(2) atom to form distorted OLiTiMnSn tetrahedra that share  a cornercorner with one O(12)LiTi2Mn tetrahedra,  a cornercorner with one O(9)LiTiMnSn tetrahedra, corners with two equivalent O(5)LiTi2Sn tetrahedra,  a cornercorner with one O(8)LiTi2Mn trigonal pyramid,  an edgeedge with one O(12)LiTi2Mn tetrahedra, and  an edgeedge with one O(9)LiTiMnSn tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent Ti(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 Ti(1), one Mn(2), and one Sn(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Ti(2), and one Mn(2) atom to form distorted OLiTi2Mn tetrahedra that share corners with two equivalent O(5)LiTi2Sn tetrahedra, corners with two equivalent O(9)LiTiMnSn tetrahedra, corners with two equivalent O(8)LiTi2Mn trigonal pyramids, and edges with two equivalent O(9)LiTiMnSn tetrahedra.