Li2Ni3TeO8 is Spinel-derived structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra, and corners with three equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. In the third Ni site, Ni(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. Te(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form TeO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Ni(1), one Ni(2), and one Ni(3) atom to form distorted corner-sharing OLiNi3 tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ni(1), one Ni(3), and one Te(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ni(1), one Ni(2), and one Te(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(2), one Ni(3), and one Te(1) atom.
Li2Ni3TeO8 is Spinel-derived structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra, and corners with three equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. The Li(1)-O(1) bond length is 2.02 Å. The Li(1)-O(2) bond length is 1.99 Å. The Li(1)-O(3) bond length is 1.98 Å. The Li(1)-O(4) bond length is 1.99 Å. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. Both Ni(1)-O(1) bond lengths are 1.97 Å. Both Ni(1)-O(2) bond lengths are 2.08 Å. Both Ni(1)-O(3) bond lengths are 2.09 Å. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. Both Ni(2)-O(1) bond lengths are 1.88 Å. Both Ni(2)-O(3) bond lengths are 2.06 Å. Both Ni(2)-O(4) bond lengths are 2.06 Å. In the third Ni site, Ni(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. Both Ni(3)-O(1) bond lengths are 1.99 Å. Both Ni(3)-O(2) bond lengths are 2.09 Å. Both Ni(3)-O(4) bond lengths are 2.10 Å. Te(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form TeO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. Both Te(1)-O(2) bond lengths are 1.96 Å. Both Te(1)-O(3) bond lengths are 1.97 Å. Both Te(1)-O(4) bond lengths are 1.96 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Ni(1), one Ni(2), and one Ni(3) atom to form distorted corner-sharing OLiNi3 tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ni(1), one Ni(3), and one Te(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ni(1), one Ni(2), and one Te(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(2), one Ni(3), and one Te(1) atom.