Li4V2Ni3Sn3O16 is Hausmannite-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 Ni(1)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and corners with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-66°. 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 Ni(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-68°. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with three equivalent V(1)O6 octahedra,  an edgeedge with one Sn(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-63°. 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 Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and corners with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-63°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted VO6 octahedra that share corners with two equivalent Sn(2)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the second V site, V(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted VO6 octahedra that share corners with two equivalent Ni(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 Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent V(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 V(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 41°. In the second Ni site, Ni(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 distorted NiO6 octahedra that share corners with two equivalent V(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 V(2)O6 octahedra, edges with two equivalent Ni(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 range from 48-49°. 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 V(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 V(1)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 53-55°. 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 V(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 V(2)O6 octahedra, edges with four equivalent Ni(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 distorted rectangular see-saw-like geometry to one Li(3), one V(1), one Ni(2), and one Sn(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(4), one V(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 Ni(1), and two equivalent Sn(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Ni(1), and two equivalent Sn(1) atoms to form distorted corner-sharing OLiNiSn2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Ni(2), and one Sn(2) atom to form corner-sharing OLiNi2Sn tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one V(1), one Ni(1), and one Sn(1) atom to form distorted OLiVNiSn tetrahedra that share  a cornercorner with one O(6)LiVNiSn tetrahedra, corners with two equivalent O(4)LiNiSn2 tetrahedra,  a cornercorner with one O(10)LiNi2Sn trigonal pyramid, and  an edgeedge with one O(6)LiVNiSn tetrahedra. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(2), and two equivalent Sn(1) atoms. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(3), one V(1), and two equivalent Ni(2) atoms. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), one Ni(2), and one Sn(2) atom. In the tenth O site, O(10) is bonded to one Li(4), two equivalent Ni(2), and one Sn(2) atom to form distorted OLiNi2Sn trigonal pyramids that share corners with two equivalent O(6)LiVNiSn tetrahedra and corners with three equivalent O(5)LiNi2Sn tetrahedra. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(2), one Ni(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 V(2), and two equivalent Ni(2) atoms.
Li4V2Ni3Sn3O16 is Hausmannite-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 Ni(1)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and corners with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-66°. The Li(1)-O(12) bond length is 2.09 Å. The Li(1)-O(3) bond length is 1.93 Å. Both Li(1)-O(9) bond lengths are 2.00 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 Ni(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-68°. The Li(2)-O(5) bond length is 1.81 Å. The Li(2)-O(7) bond length is 2.10 Å. Both Li(2)-O(11) bond lengths are 2.05 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 LiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with three equivalent V(1)O6 octahedra,  an edgeedge with one Sn(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-63°. The Li(3)-O(4) bond length is 1.81 Å. The Li(3)-O(8) bond length is 2.00 Å. Both Li(3)-O(1) bond lengths are 2.10 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 Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and corners with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-63°. The Li(4)-O(10) bond length is 1.93 Å. The Li(4)-O(2) bond length is 2.00 Å. Both Li(4)-O(6) bond lengths are 2.07 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted VO6 octahedra that share corners with two equivalent Sn(2)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. The V(1)-O(2) bond length is 2.28 Å. The V(1)-O(8) bond length is 1.74 Å. Both V(1)-O(1) bond lengths are 1.88 Å. Both V(1)-O(6) bond lengths are 2.02 Å. In the second V site, V(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted VO6 octahedra that share corners with two equivalent Ni(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 Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. The V(2)-O(12) bond length is 1.76 Å. The V(2)-O(7) bond length is 2.44 Å. Both V(2)-O(11) bond lengths are 1.87 Å. Both V(2)-O(9) bond lengths are 1.99 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent V(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 V(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 41°. The Ni(1)-O(3) bond length is 2.02 Å. The Ni(1)-O(4) bond length is 1.98 Å. Both Ni(1)-O(11) bond lengths are 2.23 Å. Both Ni(1)-O(6) bond lengths are 2.09 Å. In the second Ni site, Ni(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 distorted NiO6 octahedra that share corners with two equivalent V(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 V(2)O6 octahedra, edges with two equivalent Ni(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 range from 48-49°. The Ni(2)-O(1) bond length is 2.18 Å. The Ni(2)-O(10) bond length is 1.98 Å. The Ni(2)-O(12) bond length is 2.16 Å. The Ni(2)-O(5) bond length is 1.97 Å. The Ni(2)-O(8) bond length is 2.22 Å. The Ni(2)-O(9) bond length is 2.12 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 V(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 V(1)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 53-55°. The Sn(1)-O(11) bond length is 2.21 Å. The Sn(1)-O(2) bond length is 2.09 Å. The Sn(1)-O(3) bond length is 2.05 Å. The Sn(1)-O(4) bond length is 2.05 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 V(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 V(2)O6 octahedra, edges with four equivalent Ni(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 2.01 Å. The Sn(2)-O(5) bond length is 2.00 Å. Both Sn(2)-O(1) bond lengths are 2.22 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 distorted rectangular see-saw-like geometry to one Li(3), one V(1), one Ni(2), and one Sn(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(4), one V(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 Ni(1), and two equivalent Sn(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Ni(1), and two equivalent Sn(1) atoms to form distorted corner-sharing OLiNiSn2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Ni(2), and one Sn(2) atom to form corner-sharing OLiNi2Sn tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one V(1), one Ni(1), and one Sn(1) atom to form distorted OLiVNiSn tetrahedra that share  a cornercorner with one O(6)LiVNiSn tetrahedra, corners with two equivalent O(4)LiNiSn2 tetrahedra,  a cornercorner with one O(10)LiNi2Sn trigonal pyramid, and  an edgeedge with one O(6)LiVNiSn tetrahedra. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(2), and two equivalent Sn(1) atoms. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(3), one V(1), and two equivalent Ni(2) atoms. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), one Ni(2), and one Sn(2) atom. In the tenth O site, O(10) is bonded to one Li(4), two equivalent Ni(2), and one Sn(2) atom to form distorted OLiNi2Sn trigonal pyramids that share corners with two equivalent O(6)LiVNiSn tetrahedra and corners with three equivalent O(5)LiNi2Sn tetrahedra. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(2), one Ni(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 V(2), and two equivalent Ni(2) atoms.