Li2V3SbO8 is Spinel-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(14), one O(15), and one O(16) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(6)O6 octahedra, and corners with three equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. In the second Li site, Li(2) is bonded to one O(11), one O(12), one O(13), and one O(2) atom to form LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(5)O6 octahedra, and corners with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-61°. In the third Li site, Li(3) is bonded to one O(10), one O(4), one O(7), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with three equivalent Sb(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and  an edgeedge with one V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-63°. In the fourth Li site, Li(4) is bonded to one O(3), one O(5), one O(6), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with three equivalent Sb(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-64°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(12), one O(13), one O(3), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Sb(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the second V site, V(2) is bonded to one O(14), one O(16), one O(2), one O(4), one O(5), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Sb(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the third V site, V(3) is bonded to one O(15), one O(16), one O(2), one O(4), one O(6), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Sb(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the fourth V site, V(4) is bonded to one O(1), one O(11), one O(12), one O(3), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Sb(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the fifth V site, V(5) is bonded to one O(1), one O(10), one O(11), one O(13), one O(3), and one O(7) atom to form VO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Sb(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the sixth V site, V(6) is bonded to one O(14), one O(15), one O(2), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Sb(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(11), one O(12), one O(13), one O(5), one O(6), and one O(8) atom to form SbO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(6)O6 octahedra, corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and  an edgeedge with one V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the second Sb site, Sb(2) is bonded to one O(10), one O(14), one O(15), one O(16), one O(7), and one O(9) atom to form SbO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one V(1), one V(4), and one V(5) atom to form distorted OLiV3 trigonal pyramids that share corners with three equivalent O(3)LiV3 tetrahedra and  a cornercorner with one O(16)LiV2Sb trigonal pyramid. In the second O site, O(2) is bonded to one Li(2), one V(2), one V(3), and one V(6) atom to form distorted OLiV3 trigonal pyramids that share corners with three equivalent O(4)LiV3 tetrahedra and  an edgeedge with one O(16)LiV2Sb trigonal pyramid. In the third O site, O(3) is bonded to one Li(4), one V(1), one V(4), and one V(5) atom to form corner-sharing OLiV3 tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), one V(2), one V(3), and one V(6) atom to form OLiV3 tetrahedra that share corners with two equivalent O(16)LiV2Sb trigonal pyramids and corners with three equivalent O(2)LiV3 trigonal pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(2), one V(6), and one Sb(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(3), one V(6), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(4), one V(5), and one Sb(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(2), one V(3), and one Sb(1) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(1), one V(4), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(1), one V(5), and one Sb(2) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(4), one V(5), and one Sb(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(1), one V(4), and one Sb(1) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(1), one V(5), and one Sb(1) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(2), one V(6), and one Sb(2) atom. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(3), one V(6), and one Sb(2) atom. In the sixteenth O site, O(16) is bonded to one Li(1), one V(2), one V(3), and one Sb(2) atom to form a mixture of distorted corner and edge-sharing OLiV2Sb trigonal pyramids.
Li2V3SbO8 is Spinel-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(14), one O(15), and one O(16) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(6)O6 octahedra, and corners with three equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. The Li(1)-O(1) bond length is 1.99 Å. The Li(1)-O(14) bond length is 2.01 Å. The Li(1)-O(15) bond length is 2.00 Å. The Li(1)-O(16) bond length is 2.01 Å. In the second Li site, Li(2) is bonded to one O(11), one O(12), one O(13), and one O(2) atom to form LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(5)O6 octahedra, and corners with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-61°. The Li(2)-O(11) bond length is 2.02 Å. The Li(2)-O(12) bond length is 1.99 Å. The Li(2)-O(13) bond length is 2.01 Å. The Li(2)-O(2) bond length is 2.00 Å. In the third Li site, Li(3) is bonded to one O(10), one O(4), one O(7), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with three equivalent Sb(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and  an edgeedge with one V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-63°. The Li(3)-O(10) bond length is 1.99 Å. The Li(3)-O(4) bond length is 1.80 Å. The Li(3)-O(7) bond length is 2.00 Å. The Li(3)-O(9) bond length is 1.99 Å. In the fourth Li site, Li(4) is bonded to one O(3), one O(5), one O(6), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with three equivalent Sb(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-64°. The Li(4)-O(3) bond length is 1.81 Å. The Li(4)-O(5) bond length is 2.00 Å. The Li(4)-O(6) bond length is 2.00 Å. The Li(4)-O(8) bond length is 1.99 Å. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(12), one O(13), one O(3), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Sb(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. The V(1)-O(1) bond length is 1.99 Å. The V(1)-O(10) bond length is 2.10 Å. The V(1)-O(12) bond length is 2.10 Å. The V(1)-O(13) bond length is 2.04 Å. The V(1)-O(3) bond length is 1.99 Å. The V(1)-O(9) bond length is 2.12 Å. In the second V site, V(2) is bonded to one O(14), one O(16), one O(2), one O(4), one O(5), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Sb(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. The V(2)-O(14) bond length is 2.07 Å. The V(2)-O(16) bond length is 2.07 Å. The V(2)-O(2) bond length is 1.99 Å. The V(2)-O(4) bond length is 1.99 Å. The V(2)-O(5) bond length is 2.11 Å. The V(2)-O(8) bond length is 2.11 Å. In the third V site, V(3) is bonded to one O(15), one O(16), one O(2), one O(4), one O(6), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Sb(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. The V(3)-O(15) bond length is 2.07 Å. The V(3)-O(16) bond length is 2.06 Å. The V(3)-O(2) bond length is 1.99 Å. The V(3)-O(4) bond length is 1.99 Å. The V(3)-O(6) bond length is 2.12 Å. The V(3)-O(8) bond length is 2.11 Å. In the fourth V site, V(4) is bonded to one O(1), one O(11), one O(12), one O(3), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Sb(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. The V(4)-O(1) bond length is 1.99 Å. The V(4)-O(11) bond length is 2.07 Å. The V(4)-O(12) bond length is 2.07 Å. The V(4)-O(3) bond length is 1.99 Å. The V(4)-O(7) bond length is 2.11 Å. The V(4)-O(9) bond length is 2.12 Å. In the fifth V site, V(5) is bonded to one O(1), one O(10), one O(11), one O(13), one O(3), and one O(7) atom to form VO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Sb(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. The V(5)-O(1) bond length is 1.99 Å. The V(5)-O(10) bond length is 2.13 Å. The V(5)-O(11) bond length is 2.06 Å. The V(5)-O(13) bond length is 2.09 Å. The V(5)-O(3) bond length is 1.98 Å. The V(5)-O(7) bond length is 2.11 Å. In the sixth V site, V(6) is bonded to one O(14), one O(15), one O(2), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Sb(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. The V(6)-O(14) bond length is 2.07 Å. The V(6)-O(15) bond length is 2.07 Å. The V(6)-O(2) bond length is 1.99 Å. The V(6)-O(4) bond length is 1.99 Å. The V(6)-O(5) bond length is 2.12 Å. The V(6)-O(6) bond length is 2.12 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(11), one O(12), one O(13), one O(5), one O(6), and one O(8) atom to form SbO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(6)O6 octahedra, corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and  an edgeedge with one V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. The Sb(1)-O(11) bond length is 2.09 Å. The Sb(1)-O(12) bond length is 2.06 Å. The Sb(1)-O(13) bond length is 2.08 Å. The Sb(1)-O(5) bond length is 2.02 Å. The Sb(1)-O(6) bond length is 2.02 Å. The Sb(1)-O(8) bond length is 2.02 Å. In the second Sb site, Sb(2) is bonded to one O(10), one O(14), one O(15), one O(16), one O(7), and one O(9) atom to form SbO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. The Sb(2)-O(10) bond length is 2.02 Å. The Sb(2)-O(14) bond length is 2.08 Å. The Sb(2)-O(15) bond length is 2.08 Å. The Sb(2)-O(16) bond length is 2.08 Å. The Sb(2)-O(7) bond length is 2.03 Å. The Sb(2)-O(9) bond length is 2.01 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one V(1), one V(4), and one V(5) atom to form distorted OLiV3 trigonal pyramids that share corners with three equivalent O(3)LiV3 tetrahedra and  a cornercorner with one O(16)LiV2Sb trigonal pyramid. In the second O site, O(2) is bonded to one Li(2), one V(2), one V(3), and one V(6) atom to form distorted OLiV3 trigonal pyramids that share corners with three equivalent O(4)LiV3 tetrahedra and  an edgeedge with one O(16)LiV2Sb trigonal pyramid. In the third O site, O(3) is bonded to one Li(4), one V(1), one V(4), and one V(5) atom to form corner-sharing OLiV3 tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), one V(2), one V(3), and one V(6) atom to form OLiV3 tetrahedra that share corners with two equivalent O(16)LiV2Sb trigonal pyramids and corners with three equivalent O(2)LiV3 trigonal pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(2), one V(6), and one Sb(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(3), one V(6), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(4), one V(5), and one Sb(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(2), one V(3), and one Sb(1) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(1), one V(4), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(1), one V(5), and one Sb(2) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(4), one V(5), and one Sb(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(1), one V(4), and one Sb(1) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(1), one V(5), and one Sb(1) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(2), one V(6), and one Sb(2) atom. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(3), one V(6), and one Sb(2) atom. In the sixteenth O site, O(16) is bonded to one Li(1), one V(2), one V(3), and one Sb(2) atom to form a mixture of distorted corner and edge-sharing OLiV2Sb trigonal pyramids.