Li4Ni3Sn5O16 is Spinel-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one Sn(3)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Sn(4)O6 octahedra, and corners with three equivalent Sn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. In the second Li site, Li(2) is bonded to one O(14), one O(16), one O(5), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Sn(4)O6 octahedra, corners with three equivalent Sn(5)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra, and  an edgeedge with one Sn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-69°. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(10), one O(4), and one O(6) atom. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Sn(4)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with two equivalent Sn(3)O6 octahedra, and corners with three equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent Sn(5)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Sn(2)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with two equivalent Sn(3)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 50°. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form NiO6 octahedra that share corners with two equivalent Sn(2)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 Sn(5)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Sn(4)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the third Ni site, Ni(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form NiO6 octahedra that share corners with two equivalent Sn(2)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 Sn(5)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Sn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are five inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form SnO6 octahedra that share corners with two equivalent Sn(5)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Sn(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Sn(3)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. In the second Sn site, Sn(2) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form SnO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Sn(4)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra, and  an edgeedge with one Sn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-56°. In the third Sn site, Sn(3) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form SnO6 octahedra that share corners with two equivalent Sn(5)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Sn(2)O6 octahedra, edges with two equivalent Ni(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 fourth Sn site, Sn(4) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form SnO6 octahedra that share corners with two equivalent Sn(2)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 Sn(5)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. In the fifth Sn site, Sn(5) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form SnO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with two equivalent Sn(3)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and  an edgeedge with one Sn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ni(2), one Sn(2), and one Sn(4) atom. In the second O site, O(2) is bonded to one Li(4), one Sn(1), one Sn(2), and one Sn(3) atom to form a mixture of distorted corner and edge-sharing OLiSn3 trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(1), one Sn(1), and one Sn(3) atom. In the fourth O site, O(4) is bonded to one Li(3), one Ni(1), one Sn(1), and one Sn(3) atom to form distorted OLiNiSn2 tetrahedra that share corners with two equivalent O(7)LiNiSn2 trigonal pyramids and corners with two equivalent O(2)LiSn3 trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Ni(2), one Ni(3), and one Sn(4) atom to form distorted corner-sharing OLiNi2Sn tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ni(3), one Sn(2), and one Sn(4) atom. In the seventh O site, O(7) is bonded to one Li(4), one Ni(1), one Sn(1), and one Sn(2) atom to form distorted OLiNiSn2 trigonal pyramids that share corners with two equivalent O(4)LiNiSn2 tetrahedra,  a cornercorner with one O(2)LiSn3 trigonal pyramid, and  an edgeedge with one O(2)LiSn3 trigonal pyramid. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Ni(1), one Sn(2), and one Sn(3) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Sn(1), one Sn(3), and one Sn(5) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Ni(2), one Ni(3), and one Sn(2) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ni(2), one Sn(4), and one Sn(5) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ni(3), one Sn(4), and one Sn(5) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Ni(2), one Ni(3), and one Sn(4) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(1), one Sn(1), and one Sn(5) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one Ni(2), one Ni(3), and one Sn(5) atom to form distorted corner-sharing OLiNi2Sn tetrahedra. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(1), one Sn(3), and one Sn(5) atom.
Li4Ni3Sn5O16 is Spinel-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one Sn(3)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Sn(4)O6 octahedra, and corners with three equivalent Sn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. The Li(1)-O(11) bond length is 1.99 Å. The Li(1)-O(12) bond length is 2.03 Å. The Li(1)-O(15) bond length is 2.04 Å. The Li(1)-O(3) bond length is 2.04 Å. In the second Li site, Li(2) is bonded to one O(14), one O(16), one O(5), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Sn(4)O6 octahedra, corners with three equivalent Sn(5)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra, and  an edgeedge with one Sn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-69°. The Li(2)-O(14) bond length is 1.94 Å. The Li(2)-O(16) bond length is 1.94 Å. The Li(2)-O(5) bond length is 1.80 Å. The Li(2)-O(9) bond length is 2.19 Å. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(10), one O(4), and one O(6) atom. The Li(3)-O(1) bond length is 2.00 Å. The Li(3)-O(10) bond length is 1.91 Å. The Li(3)-O(4) bond length is 1.82 Å. The Li(3)-O(6) bond length is 2.01 Å. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Sn(4)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with two equivalent Sn(3)O6 octahedra, and corners with three equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. The Li(4)-O(13) bond length is 2.01 Å. The Li(4)-O(2) bond length is 1.99 Å. The Li(4)-O(7) bond length is 2.01 Å. The Li(4)-O(8) bond length is 2.03 Å. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent Sn(5)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Sn(2)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with two equivalent Sn(3)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 50°. The Ni(1)-O(14) bond length is 2.14 Å. The Ni(1)-O(16) bond length is 2.14 Å. The Ni(1)-O(3) bond length is 2.07 Å. The Ni(1)-O(4) bond length is 2.02 Å. The Ni(1)-O(7) bond length is 2.10 Å. The Ni(1)-O(8) bond length is 2.11 Å. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form NiO6 octahedra that share corners with two equivalent Sn(2)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 Sn(5)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Sn(4)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. The Ni(2)-O(1) bond length is 2.08 Å. The Ni(2)-O(10) bond length is 2.10 Å. The Ni(2)-O(11) bond length is 2.08 Å. The Ni(2)-O(13) bond length is 1.90 Å. The Ni(2)-O(15) bond length is 2.08 Å. The Ni(2)-O(5) bond length is 1.89 Å. In the third Ni site, Ni(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form NiO6 octahedra that share corners with two equivalent Sn(2)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 Sn(5)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Sn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. The Ni(3)-O(10) bond length is 2.04 Å. The Ni(3)-O(12) bond length is 1.97 Å. The Ni(3)-O(13) bond length is 2.08 Å. The Ni(3)-O(15) bond length is 1.98 Å. The Ni(3)-O(5) bond length is 2.08 Å. The Ni(3)-O(6) bond length is 2.02 Å. There are five inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form SnO6 octahedra that share corners with two equivalent Sn(5)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Sn(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Sn(3)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. The Sn(1)-O(14) bond length is 2.10 Å. The Sn(1)-O(2) bond length is 2.12 Å. The Sn(1)-O(3) bond length is 2.06 Å. The Sn(1)-O(4) bond length is 2.04 Å. The Sn(1)-O(7) bond length is 2.08 Å. The Sn(1)-O(9) bond length is 2.12 Å. In the second Sn site, Sn(2) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form SnO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Sn(4)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra, and  an edgeedge with one Sn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-56°. The Sn(2)-O(1) bond length is 2.09 Å. The Sn(2)-O(10) bond length is 2.06 Å. The Sn(2)-O(2) bond length is 2.21 Å. The Sn(2)-O(6) bond length is 2.13 Å. The Sn(2)-O(7) bond length is 2.14 Å. The Sn(2)-O(8) bond length is 2.13 Å. In the third Sn site, Sn(3) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form SnO6 octahedra that share corners with two equivalent Sn(5)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Sn(2)O6 octahedra, edges with two equivalent Ni(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(3)-O(16) bond length is 2.10 Å. The Sn(3)-O(2) bond length is 2.11 Å. The Sn(3)-O(3) bond length is 2.06 Å. The Sn(3)-O(4) bond length is 2.04 Å. The Sn(3)-O(8) bond length is 2.09 Å. The Sn(3)-O(9) bond length is 2.13 Å. In the fourth Sn site, Sn(4) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form SnO6 octahedra that share corners with two equivalent Sn(2)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 Sn(5)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. The Sn(4)-O(1) bond length is 2.10 Å. The Sn(4)-O(11) bond length is 2.08 Å. The Sn(4)-O(12) bond length is 2.14 Å. The Sn(4)-O(13) bond length is 2.06 Å. The Sn(4)-O(5) bond length is 2.05 Å. The Sn(4)-O(6) bond length is 2.13 Å. In the fifth Sn site, Sn(5) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form SnO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with two equivalent Sn(3)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and  an edgeedge with one Sn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. The Sn(5)-O(11) bond length is 2.14 Å. The Sn(5)-O(12) bond length is 2.16 Å. The Sn(5)-O(14) bond length is 2.05 Å. The Sn(5)-O(15) bond length is 2.12 Å. The Sn(5)-O(16) bond length is 2.08 Å. The Sn(5)-O(9) bond length is 2.14 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ni(2), one Sn(2), and one Sn(4) atom. In the second O site, O(2) is bonded to one Li(4), one Sn(1), one Sn(2), and one Sn(3) atom to form a mixture of distorted corner and edge-sharing OLiSn3 trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(1), one Sn(1), and one Sn(3) atom. In the fourth O site, O(4) is bonded to one Li(3), one Ni(1), one Sn(1), and one Sn(3) atom to form distorted OLiNiSn2 tetrahedra that share corners with two equivalent O(7)LiNiSn2 trigonal pyramids and corners with two equivalent O(2)LiSn3 trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Ni(2), one Ni(3), and one Sn(4) atom to form distorted corner-sharing OLiNi2Sn tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ni(3), one Sn(2), and one Sn(4) atom. In the seventh O site, O(7) is bonded to one Li(4), one Ni(1), one Sn(1), and one Sn(2) atom to form distorted OLiNiSn2 trigonal pyramids that share corners with two equivalent O(4)LiNiSn2 tetrahedra,  a cornercorner with one O(2)LiSn3 trigonal pyramid, and  an edgeedge with one O(2)LiSn3 trigonal pyramid. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Ni(1), one Sn(2), and one Sn(3) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Sn(1), one Sn(3), and one Sn(5) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Ni(2), one Ni(3), and one Sn(2) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ni(2), one Sn(4), and one Sn(5) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ni(3), one Sn(4), and one Sn(5) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Ni(2), one Ni(3), and one Sn(4) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(1), one Sn(1), and one Sn(5) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one Ni(2), one Ni(3), and one Sn(5) atom to form distorted corner-sharing OLiNi2Sn tetrahedra. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(1), one Sn(3), and one Sn(5) atom.