Li2V3SbO8 is Spinel-derived structured and crystallizes in the monoclinic P2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and corners with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-60°. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(5), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Sb(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and corners with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-60°. There are four inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. In the fourth V site, V(4) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form SbO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the second Sb site, Sb(2) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form SbO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one V(2), one V(3), and one V(4) atom to form distorted OLiV3 tetrahedra that share  a cornercorner with one O(1)LiV3 tetrahedra,  a cornercorner with one O(3)LiV2Sb trigonal pyramid, corners with two equivalent O(4)LiV2Sb trigonal pyramids, corners with two equivalent O(6)LiV2Sb trigonal pyramids, corners with two equivalent O(2)LiV3 trigonal pyramids, and  an edgeedge with one O(3)LiV2Sb trigonal pyramid. In the second O site, O(2) is bonded to one Li(2), one V(1), one V(2), and one V(4) atom to form distorted OLiV3 trigonal pyramids that share corners with two equivalent O(1)LiV3 tetrahedra,  a cornercorner with one O(4)LiV2Sb trigonal pyramid,  a cornercorner with one O(6)LiV2Sb trigonal pyramid,  a cornercorner with one O(2)LiV3 trigonal pyramid, corners with two equivalent O(3)LiV2Sb trigonal pyramids,  an edgeedge with one O(4)LiV2Sb trigonal pyramid, and  an edgeedge with one O(6)LiV2Sb trigonal pyramid. In the third O site, O(3) is bonded to one Li(2), one V(3), one V(4), and one Sb(1) atom to form distorted OLiV2Sb trigonal pyramids that share  a cornercorner with one O(1)LiV3 tetrahedra,  a cornercorner with one O(6)LiV2Sb trigonal pyramid, corners with two equivalent O(3)LiV2Sb trigonal pyramids, corners with two equivalent O(2)LiV3 trigonal pyramids, and  an edgeedge with one O(1)LiV3 tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one V(1), one V(2), and one Sb(2) atom to form distorted OLiV2Sb trigonal pyramids that share corners with two equivalent O(1)LiV3 tetrahedra,  a cornercorner with one O(2)LiV3 trigonal pyramid, corners with two equivalent O(4)LiV2Sb trigonal pyramids, corners with three equivalent O(6)LiV2Sb trigonal pyramids,  an edgeedge with one O(6)LiV2Sb trigonal pyramid, and  an edgeedge with one O(2)LiV3 trigonal pyramid. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(2), one V(3), and one Sb(1) atom. In the sixth O site, O(6) is bonded to one Li(1), one V(1), one V(4), and one Sb(2) atom to form distorted OLiV2Sb trigonal pyramids that share corners with two equivalent O(1)LiV3 tetrahedra,  a cornercorner with one O(3)LiV2Sb trigonal pyramid,  a cornercorner with one O(2)LiV3 trigonal pyramid, corners with two equivalent O(6)LiV2Sb trigonal pyramids, corners with three equivalent O(4)LiV2Sb trigonal pyramids,  an edgeedge with one O(4)LiV2Sb trigonal pyramid, and  an edgeedge with one O(2)LiV3 trigonal pyramid. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(2), one V(4), and one Sb(1) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(2), one V(4), and one Sb(2) atom.
Li2V3SbO8 is Spinel-derived structured and crystallizes in the monoclinic P2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and corners with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-60°. The Li(1)-O(1) bond length is 2.06 Å. The Li(1)-O(4) bond length is 2.04 Å. The Li(1)-O(6) bond length is 2.07 Å. The Li(1)-O(7) bond length is 2.05 Å. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(5), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Sb(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and corners with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-60°. The Li(2)-O(2) bond length is 2.05 Å. The Li(2)-O(3) bond length is 2.07 Å. The Li(2)-O(5) bond length is 2.03 Å. The Li(2)-O(8) bond length is 2.05 Å. There are four inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. Both V(1)-O(2) bond lengths are 2.02 Å. Both V(1)-O(4) bond lengths are 2.07 Å. Both V(1)-O(6) bond lengths are 2.11 Å. In the second V site, V(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The V(2)-O(1) bond length is 2.02 Å. The V(2)-O(2) bond length is 2.03 Å. The V(2)-O(4) bond length is 2.11 Å. The V(2)-O(5) bond length is 2.11 Å. The V(2)-O(7) bond length is 2.06 Å. The V(2)-O(8) bond length is 2.06 Å. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. Both V(3)-O(1) bond lengths are 2.02 Å. Both V(3)-O(3) bond lengths are 2.10 Å. Both V(3)-O(5) bond lengths are 2.08 Å. In the fourth V site, V(4) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The V(4)-O(1) bond length is 2.02 Å. The V(4)-O(2) bond length is 2.02 Å. The V(4)-O(3) bond length is 2.06 Å. The V(4)-O(6) bond length is 2.06 Å. The V(4)-O(7) bond length is 2.12 Å. The V(4)-O(8) bond length is 2.11 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form SbO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. Both Sb(1)-O(3) bond lengths are 2.04 Å. Both Sb(1)-O(5) bond lengths are 2.02 Å. Both Sb(1)-O(7) bond lengths are 2.03 Å. In the second Sb site, Sb(2) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form SbO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. Both Sb(2)-O(4) bond lengths are 2.02 Å. Both Sb(2)-O(6) bond lengths are 2.04 Å. Both Sb(2)-O(8) bond lengths are 2.03 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one V(2), one V(3), and one V(4) atom to form distorted OLiV3 tetrahedra that share  a cornercorner with one O(1)LiV3 tetrahedra,  a cornercorner with one O(3)LiV2Sb trigonal pyramid, corners with two equivalent O(4)LiV2Sb trigonal pyramids, corners with two equivalent O(6)LiV2Sb trigonal pyramids, corners with two equivalent O(2)LiV3 trigonal pyramids, and  an edgeedge with one O(3)LiV2Sb trigonal pyramid. In the second O site, O(2) is bonded to one Li(2), one V(1), one V(2), and one V(4) atom to form distorted OLiV3 trigonal pyramids that share corners with two equivalent O(1)LiV3 tetrahedra,  a cornercorner with one O(4)LiV2Sb trigonal pyramid,  a cornercorner with one O(6)LiV2Sb trigonal pyramid,  a cornercorner with one O(2)LiV3 trigonal pyramid, corners with two equivalent O(3)LiV2Sb trigonal pyramids,  an edgeedge with one O(4)LiV2Sb trigonal pyramid, and  an edgeedge with one O(6)LiV2Sb trigonal pyramid. In the third O site, O(3) is bonded to one Li(2), one V(3), one V(4), and one Sb(1) atom to form distorted OLiV2Sb trigonal pyramids that share  a cornercorner with one O(1)LiV3 tetrahedra,  a cornercorner with one O(6)LiV2Sb trigonal pyramid, corners with two equivalent O(3)LiV2Sb trigonal pyramids, corners with two equivalent O(2)LiV3 trigonal pyramids, and  an edgeedge with one O(1)LiV3 tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one V(1), one V(2), and one Sb(2) atom to form distorted OLiV2Sb trigonal pyramids that share corners with two equivalent O(1)LiV3 tetrahedra,  a cornercorner with one O(2)LiV3 trigonal pyramid, corners with two equivalent O(4)LiV2Sb trigonal pyramids, corners with three equivalent O(6)LiV2Sb trigonal pyramids,  an edgeedge with one O(6)LiV2Sb trigonal pyramid, and  an edgeedge with one O(2)LiV3 trigonal pyramid. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(2), one V(3), and one Sb(1) atom. In the sixth O site, O(6) is bonded to one Li(1), one V(1), one V(4), and one Sb(2) atom to form distorted OLiV2Sb trigonal pyramids that share corners with two equivalent O(1)LiV3 tetrahedra,  a cornercorner with one O(3)LiV2Sb trigonal pyramid,  a cornercorner with one O(2)LiV3 trigonal pyramid, corners with two equivalent O(6)LiV2Sb trigonal pyramids, corners with three equivalent O(4)LiV2Sb trigonal pyramids,  an edgeedge with one O(4)LiV2Sb trigonal pyramid, and  an edgeedge with one O(2)LiV3 trigonal pyramid. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(2), one V(4), and one Sb(1) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(2), one V(4), and one Sb(2) atom.