Li4Mn3Ni2Sn3O16 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 Mn(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 Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-64°. 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 Mn(1)O6 octahedra, corners with two equivalent Mn(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 57-63°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form MnO6 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 48°. In the second Mn site, Mn(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 MnO6 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 Mn(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 Mn(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(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 Mn(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 Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. 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 Mn(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. 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 Mn(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 distorted rectangular see-saw-like geometry to one Li(3), one Mn(2), one Ni(1), 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 Ni(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 Mn(1), and two equivalent Sn(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Mn(1), and two equivalent Sn(1) atoms to form distorted OLiMnSn2 tetrahedra that share  a cornercorner with one O(8)LiMn2Ni trigonal pyramid and corners with four equivalent O(6)LiMnNiSn trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Mn(2), and one Sn(2) atom to form distorted OLiMn2Sn tetrahedra that share corners with two equivalent O(12)LiMn2Ni tetrahedra, corners with four equivalent O(9)LiMnNiSn tetrahedra, and  an edgeedge with one O(8)LiMn2Ni trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(4), one Mn(1), one Ni(1), and one Sn(1) atom to form distorted OLiMnNiSn trigonal pyramids that share corners with two equivalent O(4)LiMnSn2 tetrahedra,  a cornercorner with one O(8)LiMn2Ni trigonal pyramid,  a cornercorner with one O(6)LiMnNiSn trigonal pyramid, and  an edgeedge with one O(6)LiMnNiSn trigonal pyramid. 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 Mn(2), and one Ni(1) atom to form distorted OLiMn2Ni trigonal pyramids that share  a cornercorner with one O(4)LiMnSn2 tetrahedra, corners with two equivalent O(12)LiMn2Ni tetrahedra, corners with two equivalent O(9)LiMnNiSn tetrahedra, corners with two equivalent O(6)LiMnNiSn trigonal pyramids, and  an edgeedge with one O(5)LiMn2Sn tetrahedra. In the ninth O site, O(9) is bonded to one Li(1), one Mn(2), one Ni(2), and one Sn(2) atom to form distorted OLiMnNiSn tetrahedra that share  a cornercorner with one O(12)LiMn2Ni tetrahedra,  a cornercorner with one O(9)LiMnNiSn tetrahedra, corners with two equivalent O(5)LiMn2Sn tetrahedra,  a cornercorner with one O(8)LiMn2Ni trigonal pyramid,  an edgeedge with one O(12)LiMn2Ni tetrahedra, and  an edgeedge with one O(9)LiMnNiSn tetrahedra. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), two equivalent Mn(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 Mn(1), one Ni(2), and one Sn(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Mn(2), and one Ni(2) atom to form distorted OLiMn2Ni tetrahedra that share corners with two equivalent O(5)LiMn2Sn tetrahedra, corners with two equivalent O(9)LiMnNiSn tetrahedra, corners with two equivalent O(8)LiMn2Ni trigonal pyramids, and edges with two equivalent O(9)LiMnNiSn tetrahedra.
Li4Mn3Ni2Sn3O16 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 Mn(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 Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-64°. The Li(1)-O(12) bond length is 2.07 Å. The Li(1)-O(3) bond length is 2.11 Å. Both Li(1)-O(9) bond lengths are 1.97 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 1.78 Å. The Li(2)-O(7) bond length is 2.03 Å. Both Li(2)-O(11) bond lengths are 1.92 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 1.78 Å. The Li(3)-O(8) bond length is 1.88 Å. Both Li(3)-O(1) bond lengths are 1.96 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 Mn(1)O6 octahedra, corners with two equivalent Mn(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 57-63°. The Li(4)-O(10) bond length is 2.08 Å. The Li(4)-O(2) bond length is 1.94 Å. Both Li(4)-O(6) bond lengths are 2.02 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form MnO6 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 48°. The Mn(1)-O(3) bond length is 1.97 Å. The Mn(1)-O(4) bond length is 1.94 Å. Both Mn(1)-O(11) bond lengths are 1.98 Å. Both Mn(1)-O(6) bond lengths are 1.96 Å. In the second Mn site, Mn(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 MnO6 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 Mn(2)O6 octahedra, and edges with two equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. The Mn(2)-O(1) bond length is 1.97 Å. The Mn(2)-O(10) bond length is 1.97 Å. The Mn(2)-O(12) bond length is 1.98 Å. The Mn(2)-O(5) bond length is 1.96 Å. The Mn(2)-O(8) bond length is 2.00 Å. The Mn(2)-O(9) bond length is 1.94 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 Mn(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(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 2.14 Å. The Ni(1)-O(8) bond length is 2.16 Å. Both Ni(1)-O(1) bond lengths are 2.13 Å. Both Ni(1)-O(6) bond lengths are 2.18 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 Mn(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 Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. The Ni(2)-O(12) bond length is 2.17 Å. The Ni(2)-O(7) bond length is 2.13 Å. Both Ni(2)-O(11) bond lengths are 2.15 Å. Both Ni(2)-O(9) bond lengths are 2.14 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 Mn(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. The Sn(1)-O(11) bond length is 2.09 Å. The Sn(1)-O(2) bond length is 2.06 Å. The Sn(1)-O(3) bond length is 2.10 Å. The Sn(1)-O(4) bond length is 2.09 Å. The Sn(1)-O(6) bond length is 2.09 Å. The Sn(1)-O(7) bond length is 2.07 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 Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. The Sn(2)-O(10) bond length is 2.11 Å. The Sn(2)-O(5) bond length is 2.10 Å. Both Sn(2)-O(1) bond lengths are 2.08 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 Mn(2), one Ni(1), 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 Ni(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 Mn(1), and two equivalent Sn(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Mn(1), and two equivalent Sn(1) atoms to form distorted OLiMnSn2 tetrahedra that share  a cornercorner with one O(8)LiMn2Ni trigonal pyramid and corners with four equivalent O(6)LiMnNiSn trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Mn(2), and one Sn(2) atom to form distorted OLiMn2Sn tetrahedra that share corners with two equivalent O(12)LiMn2Ni tetrahedra, corners with four equivalent O(9)LiMnNiSn tetrahedra, and  an edgeedge with one O(8)LiMn2Ni trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(4), one Mn(1), one Ni(1), and one Sn(1) atom to form distorted OLiMnNiSn trigonal pyramids that share corners with two equivalent O(4)LiMnSn2 tetrahedra,  a cornercorner with one O(8)LiMn2Ni trigonal pyramid,  a cornercorner with one O(6)LiMnNiSn trigonal pyramid, and  an edgeedge with one O(6)LiMnNiSn trigonal pyramid. 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 Mn(2), and one Ni(1) atom to form distorted OLiMn2Ni trigonal pyramids that share  a cornercorner with one O(4)LiMnSn2 tetrahedra, corners with two equivalent O(12)LiMn2Ni tetrahedra, corners with two equivalent O(9)LiMnNiSn tetrahedra, corners with two equivalent O(6)LiMnNiSn trigonal pyramids, and  an edgeedge with one O(5)LiMn2Sn tetrahedra. In the ninth O site, O(9) is bonded to one Li(1), one Mn(2), one Ni(2), and one Sn(2) atom to form distorted OLiMnNiSn tetrahedra that share  a cornercorner with one O(12)LiMn2Ni tetrahedra,  a cornercorner with one O(9)LiMnNiSn tetrahedra, corners with two equivalent O(5)LiMn2Sn tetrahedra,  a cornercorner with one O(8)LiMn2Ni trigonal pyramid,  an edgeedge with one O(12)LiMn2Ni tetrahedra, and  an edgeedge with one O(9)LiMnNiSn tetrahedra. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), two equivalent Mn(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 Mn(1), one Ni(2), and one Sn(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Mn(2), and one Ni(2) atom to form distorted OLiMn2Ni tetrahedra that share corners with two equivalent O(5)LiMn2Sn tetrahedra, corners with two equivalent O(9)LiMnNiSn tetrahedra, corners with two equivalent O(8)LiMn2Ni trigonal pyramids, and edges with two equivalent O(9)LiMnNiSn tetrahedra.