Li4Ti3Ni3(SbO8)2 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 Ni(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Sb(2)O6 octahedra, and corners with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-64°. 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 to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Sb(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-67°. 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 Ti(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Sb(1)O6 octahedra, and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-63°. There are two inequivalent Ti sites. In the first Ti site, Ti(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 TiO6 octahedra that share corners with two equivalent Sb(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 Sb(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Ti site, Ti(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Sb(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 51°. 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 Sb(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 Sb(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. 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 NiO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Sb(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-53°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with two equivalent Ti(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 Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the second Sb site, Sb(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form SbO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(2), one Ni(2), and one Sb(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Ti(1), and one Sb(1) atom to form distorted OLiTi2Sb tetrahedra that share corners with two equivalent O(4)LiTi2Ni tetrahedra, corners with two equivalent O(6)LiTiNiSb tetrahedra, and edges with two equivalent O(6)LiTiNiSb tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Ti(1), and one Ni(1) atom. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Ti(1), and one Ni(1) atom to form OLiTi2Ni tetrahedra that share corners with two equivalent O(2)LiTi2Sb tetrahedra and corners with four equivalent O(6)LiTiNiSb tetrahedra. In the fifth O site, O(5) is bonded in a tetrahedral geometry to one Li(2), one Ti(2), and two equivalent Ni(2) atoms. In the sixth O site, O(6) is bonded to one Li(4), one Ti(1), one Ni(1), and one Sb(1) atom to form distorted OLiTiNiSb tetrahedra that share  a cornercorner with one O(2)LiTi2Sb tetrahedra,  a cornercorner with one O(6)LiTiNiSb tetrahedra, corners with two equivalent O(4)LiTi2Ni tetrahedra,  an edgeedge with one O(2)LiTi2Sb tetrahedra, and  an edgeedge with one O(6)LiTiNiSb tetrahedra. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Ti(1), and one Sb(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Ni(2), and one Sb(1) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(2), one Ni(2), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(2), and two equivalent Ni(2) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Ni(1), and one Sb(2) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Ni(2), and one Sb(2) atom.
Li4Ti3Ni3(SbO8)2 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 Ni(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Sb(2)O6 octahedra, and corners with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-64°. The Li(1)-O(12) bond length is 1.91 Å. The Li(1)-O(3) bond length is 2.04 Å. Both Li(1)-O(9) bond lengths are 1.96 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 1.79 Å. The Li(2)-O(7) bond length is 2.21 Å. Both Li(2)-O(11) bond lengths are 2.03 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 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Sb(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-67°. The Li(3)-O(4) bond length is 1.87 Å. The Li(3)-O(8) bond length is 1.91 Å. Both Li(3)-O(1) bond lengths are 2.00 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 Ti(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Sb(1)O6 octahedra, and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-63°. The Li(4)-O(10) bond length is 1.92 Å. The Li(4)-O(2) bond length is 2.07 Å. Both Li(4)-O(6) bond lengths are 2.03 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(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 TiO6 octahedra that share corners with two equivalent Sb(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 Sb(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. The Ti(1)-O(11) bond length is 2.04 Å. The Ti(1)-O(2) bond length is 2.04 Å. The Ti(1)-O(3) bond length is 1.94 Å. The Ti(1)-O(4) bond length is 1.94 Å. The Ti(1)-O(6) bond length is 1.95 Å. The Ti(1)-O(7) bond length is 2.04 Å. In the second Ti site, Ti(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Sb(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 51°. The Ti(2)-O(10) bond length is 1.88 Å. The Ti(2)-O(5) bond length is 1.89 Å. Both Ti(2)-O(1) bond lengths are 2.10 Å. Both Ti(2)-O(9) bond lengths are 2.03 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 Sb(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 Sb(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. The Ni(1)-O(3) bond length is 2.08 Å. The Ni(1)-O(4) bond length is 2.04 Å. Both Ni(1)-O(11) bond lengths are 2.10 Å. Both Ni(1)-O(6) bond lengths are 2.11 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 NiO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Sb(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-53°. The Ni(2)-O(1) bond length is 2.15 Å. The Ni(2)-O(10) bond length is 2.04 Å. The Ni(2)-O(12) bond length is 2.09 Å. The Ni(2)-O(5) bond length is 2.00 Å. The Ni(2)-O(8) bond length is 2.09 Å. The Ni(2)-O(9) bond length is 2.18 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with two equivalent Ti(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 Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. The Sb(1)-O(2) bond length is 2.16 Å. The Sb(1)-O(8) bond length is 1.94 Å. Both Sb(1)-O(1) bond lengths are 1.98 Å. Both Sb(1)-O(6) bond lengths are 2.09 Å. In the second Sb site, Sb(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form SbO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. The Sb(2)-O(12) bond length is 1.97 Å. The Sb(2)-O(7) bond length is 2.14 Å. Both Sb(2)-O(11) bond lengths are 2.03 Å. Both Sb(2)-O(9) bond lengths are 2.02 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(2), one Ni(2), and one Sb(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Ti(1), and one Sb(1) atom to form distorted OLiTi2Sb tetrahedra that share corners with two equivalent O(4)LiTi2Ni tetrahedra, corners with two equivalent O(6)LiTiNiSb tetrahedra, and edges with two equivalent O(6)LiTiNiSb tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Ti(1), and one Ni(1) atom. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Ti(1), and one Ni(1) atom to form OLiTi2Ni tetrahedra that share corners with two equivalent O(2)LiTi2Sb tetrahedra and corners with four equivalent O(6)LiTiNiSb tetrahedra. In the fifth O site, O(5) is bonded in a tetrahedral geometry to one Li(2), one Ti(2), and two equivalent Ni(2) atoms. In the sixth O site, O(6) is bonded to one Li(4), one Ti(1), one Ni(1), and one Sb(1) atom to form distorted OLiTiNiSb tetrahedra that share  a cornercorner with one O(2)LiTi2Sb tetrahedra,  a cornercorner with one O(6)LiTiNiSb tetrahedra, corners with two equivalent O(4)LiTi2Ni tetrahedra,  an edgeedge with one O(2)LiTi2Sb tetrahedra, and  an edgeedge with one O(6)LiTiNiSb tetrahedra. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Ti(1), and one Sb(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Ni(2), and one Sb(1) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(2), one Ni(2), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(2), and two equivalent Ni(2) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Ni(1), and one Sb(2) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Ni(2), and one Sb(2) atom.