Li4Ni2Cu3Sb3O16 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 Sb(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, and corners with four equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-64°. 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 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-70°. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Sb(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-70°. 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 Cu(2)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, and corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-64°. 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 Cu(2)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Sb(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. 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 distorted NiO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. There are two inequivalent Cu sites. In the first Cu site, Cu(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 CuO6 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,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-55°. In the second Cu site, Cu(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CuO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  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 four equivalent Sb(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form SbO6 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,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Ni(1)O6 octahedra, edges with four equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the second Sb site, Sb(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 SbO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  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 Cu(2)O6 octahedra, edges with two equivalent Sb(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 53-54°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Ni(1), one Cu(2), and one Sb(2) atom to form distorted OLiCuNiSb trigonal pyramids that share  a cornercorner with one O(2)LiCu2Ni tetrahedra,  a cornercorner with one O(4)LiCu2Sb tetrahedra,  a cornercorner with one O(12)LiNiSb2 tetrahedra, corners with three equivalent O(9)LiCuNiSb tetrahedra,  a cornercorner with one O(1)LiCuNiSb trigonal pyramid,  an edgeedge with one O(1)LiCuNiSb trigonal pyramid, and  an edgeedge with one O(5)LiCuSb2 trigonal pyramid. In the second O site, O(2) is bonded to one Li(4), one Ni(1), and two equivalent Cu(1) atoms to form distorted OLiCu2Ni tetrahedra that share corners with two equivalent O(4)LiCu2Sb tetrahedra, corners with two equivalent O(1)LiCuNiSb trigonal pyramids, and  an edgeedge with one O(3)LiCu2Sb trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), two equivalent Cu(1), and one Sb(1) atom to form distorted OLiCu2Sb trigonal pyramids that share  a cornercorner with one O(12)LiNiSb2 tetrahedra, corners with two equivalent O(9)LiCuNiSb tetrahedra, corners with three equivalent O(4)LiCu2Sb tetrahedra, and  an edgeedge with one O(2)LiCu2Ni tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Cu(1), and one Sb(1) atom to form distorted OLiCu2Sb tetrahedra that share corners with two equivalent O(2)LiCu2Ni tetrahedra, corners with two equivalent O(1)LiCuNiSb trigonal pyramids, and corners with three equivalent O(3)LiCu2Sb trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Cu(2), and two equivalent Sb(2) atoms to form distorted OLiCuSb2 trigonal pyramids that share corners with two equivalent O(12)LiNiSb2 tetrahedra, corners with four equivalent O(9)LiCuNiSb tetrahedra, and edges with two equivalent O(1)LiCuNiSb trigonal pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ni(1), one Cu(1), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Ni(2), and two equivalent Cu(1) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ni(1), and two equivalent Sb(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one Ni(2), one Cu(2), and one Sb(2) atom to form distorted OLiCuNiSb tetrahedra that share  a cornercorner with one O(9)LiCuNiSb tetrahedra,  a cornercorner with one O(12)LiNiSb2 tetrahedra,  a cornercorner with one O(3)LiCu2Sb trigonal pyramid, corners with two equivalent O(5)LiCuSb2 trigonal pyramids, corners with three equivalent O(1)LiCuNiSb trigonal pyramids,  an edgeedge with one O(9)LiCuNiSb tetrahedra, and  an edgeedge with one O(12)LiNiSb2 tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Cu(2), and two equivalent Sb(2) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(2), one Cu(1), and one Sb(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Ni(2), and two equivalent Sb(2) atoms to form distorted OLiNiSb2 tetrahedra that share corners with two equivalent O(9)LiCuNiSb tetrahedra,  a cornercorner with one O(3)LiCu2Sb trigonal pyramid, corners with two equivalent O(1)LiCuNiSb trigonal pyramids, corners with two equivalent O(5)LiCuSb2 trigonal pyramids, and edges with two equivalent O(9)LiCuNiSb tetrahedra.
Li4Ni2Cu3Sb3O16 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 Sb(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, and corners with four equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-64°. The Li(1)-O(12) bond length is 2.03 Å. The Li(1)-O(3) bond length is 2.05 Å. Both Li(1)-O(9) bond lengths are 2.01 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 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-70°. The Li(2)-O(5) bond length is 1.81 Å. The Li(2)-O(7) bond length is 1.87 Å. Both Li(2)-O(11) bond lengths are 1.95 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 distorted LiO4 trigonal pyramids that share  a cornercorner with one Sb(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-70°. The Li(3)-O(4) bond length is 1.78 Å. The Li(3)-O(8) bond length is 2.15 Å. Both Li(3)-O(1) bond lengths are 1.91 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 Cu(2)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, and corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-64°. The Li(4)-O(10) bond length is 2.15 Å. The Li(4)-O(2) bond length is 2.00 Å. Both Li(4)-O(6) bond lengths are 1.98 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 Cu(2)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Sb(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. The Ni(1)-O(2) bond length is 2.06 Å. The Ni(1)-O(8) bond length is 2.33 Å. Both Ni(1)-O(1) bond lengths are 2.13 Å. Both Ni(1)-O(6) bond lengths are 2.10 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 distorted NiO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. The Ni(2)-O(12) bond length is 2.27 Å. The Ni(2)-O(7) bond length is 2.02 Å. Both Ni(2)-O(11) bond lengths are 2.08 Å. Both Ni(2)-O(9) bond lengths are 2.26 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(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 CuO6 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,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-55°. The Cu(1)-O(11) bond length is 2.10 Å. The Cu(1)-O(2) bond length is 1.98 Å. The Cu(1)-O(3) bond length is 2.01 Å. The Cu(1)-O(4) bond length is 2.00 Å. The Cu(1)-O(6) bond length is 2.06 Å. The Cu(1)-O(7) bond length is 2.02 Å. In the second Cu site, Cu(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CuO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  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 four equivalent Sb(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 50°. The Cu(2)-O(10) bond length is 2.15 Å. The Cu(2)-O(5) bond length is 2.08 Å. Both Cu(2)-O(1) bond lengths are 2.08 Å. Both Cu(2)-O(9) bond lengths are 2.04 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form SbO6 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,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Ni(1)O6 octahedra, edges with four equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. The Sb(1)-O(3) bond length is 2.02 Å. The Sb(1)-O(4) bond length is 2.01 Å. Both Sb(1)-O(11) bond lengths are 2.02 Å. Both Sb(1)-O(6) bond lengths are 2.02 Å. In the second Sb site, Sb(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 SbO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  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 Cu(2)O6 octahedra, edges with two equivalent Sb(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 53-54°. The Sb(2)-O(1) bond length is 1.99 Å. The Sb(2)-O(10) bond length is 2.02 Å. The Sb(2)-O(12) bond length is 2.04 Å. The Sb(2)-O(5) bond length is 2.02 Å. The Sb(2)-O(8) bond length is 2.04 Å. The Sb(2)-O(9) bond length is 1.97 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Ni(1), one Cu(2), and one Sb(2) atom to form distorted OLiCuNiSb trigonal pyramids that share  a cornercorner with one O(2)LiCu2Ni tetrahedra,  a cornercorner with one O(4)LiCu2Sb tetrahedra,  a cornercorner with one O(12)LiNiSb2 tetrahedra, corners with three equivalent O(9)LiCuNiSb tetrahedra,  a cornercorner with one O(1)LiCuNiSb trigonal pyramid,  an edgeedge with one O(1)LiCuNiSb trigonal pyramid, and  an edgeedge with one O(5)LiCuSb2 trigonal pyramid. In the second O site, O(2) is bonded to one Li(4), one Ni(1), and two equivalent Cu(1) atoms to form distorted OLiCu2Ni tetrahedra that share corners with two equivalent O(4)LiCu2Sb tetrahedra, corners with two equivalent O(1)LiCuNiSb trigonal pyramids, and  an edgeedge with one O(3)LiCu2Sb trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), two equivalent Cu(1), and one Sb(1) atom to form distorted OLiCu2Sb trigonal pyramids that share  a cornercorner with one O(12)LiNiSb2 tetrahedra, corners with two equivalent O(9)LiCuNiSb tetrahedra, corners with three equivalent O(4)LiCu2Sb tetrahedra, and  an edgeedge with one O(2)LiCu2Ni tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Cu(1), and one Sb(1) atom to form distorted OLiCu2Sb tetrahedra that share corners with two equivalent O(2)LiCu2Ni tetrahedra, corners with two equivalent O(1)LiCuNiSb trigonal pyramids, and corners with three equivalent O(3)LiCu2Sb trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Cu(2), and two equivalent Sb(2) atoms to form distorted OLiCuSb2 trigonal pyramids that share corners with two equivalent O(12)LiNiSb2 tetrahedra, corners with four equivalent O(9)LiCuNiSb tetrahedra, and edges with two equivalent O(1)LiCuNiSb trigonal pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ni(1), one Cu(1), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Ni(2), and two equivalent Cu(1) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ni(1), and two equivalent Sb(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one Ni(2), one Cu(2), and one Sb(2) atom to form distorted OLiCuNiSb tetrahedra that share  a cornercorner with one O(9)LiCuNiSb tetrahedra,  a cornercorner with one O(12)LiNiSb2 tetrahedra,  a cornercorner with one O(3)LiCu2Sb trigonal pyramid, corners with two equivalent O(5)LiCuSb2 trigonal pyramids, corners with three equivalent O(1)LiCuNiSb trigonal pyramids,  an edgeedge with one O(9)LiCuNiSb tetrahedra, and  an edgeedge with one O(12)LiNiSb2 tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Cu(2), and two equivalent Sb(2) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(2), one Cu(1), and one Sb(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Ni(2), and two equivalent Sb(2) atoms to form distorted OLiNiSb2 tetrahedra that share corners with two equivalent O(9)LiCuNiSb tetrahedra,  a cornercorner with one O(3)LiCu2Sb trigonal pyramid, corners with two equivalent O(1)LiCuNiSb trigonal pyramids, corners with two equivalent O(5)LiCuSb2 trigonal pyramids, and edges with two equivalent O(9)LiCuNiSb tetrahedra.