Li2V3CoO8 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(3), one O(5), one O(7), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(6)O6 octahedra, and corners with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-64°. In the second Li site, Li(2) is bonded to one O(10), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra, and corners with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-64°. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(13), and one O(15) atom to form LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra, and corners with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-67°. In the fourth Li site, Li(4) is bonded to one O(12), one O(14), one O(16), and one O(2) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(6)O6 octahedra, and corners with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-64°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(11), one O(15), one O(2), one O(3), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(12), one O(16), one O(4), one O(5), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. In the third V site, V(3) is bonded to one O(10), one O(11), one O(13), one O(2), one O(3), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. In the fourth V site, V(4) is bonded to one O(1), one O(12), one O(14), one O(4), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. In the fifth V site, V(5) is bonded to one O(13), one O(15), one O(2), one O(3), one O(6), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. In the sixth V site, V(6) is bonded to one O(1), one O(14), one O(16), one O(4), one O(5), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form CoO6 octahedra that share 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(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and  an edgeedge with one V(6)O6 octahedra. In the second Co site, Co(2) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form CoO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and  an edgeedge with one V(6)O6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one V(2), one V(4), and one V(6) atom to form distorted edge-sharing OLiV3 trigonal pyramids. In the second O site, O(2) is bonded to one Li(4), one V(1), one V(3), and one V(5) atom to form distorted OLiV3 trigonal pyramids that share corners with two equivalent O(10)LiV2Co tetrahedra,  a cornercorner with one O(14)LiV2Co trigonal pyramid, and corners with three equivalent O(3)LiV3 trigonal pyramids. In the third O site, O(3) is bonded to one Li(1), one V(1), one V(3), and one V(5) atom to form distorted OLiV3 trigonal pyramids that share corners with three equivalent O(2)LiV3 trigonal pyramids and  an edgeedge with one O(10)LiV2Co tetrahedra. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(2), one V(4), and one V(6) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(2), one V(6), and one Co(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(1), one V(5), and one Co(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(4), one V(6), and one Co(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(3), one V(5), and one Co(1) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), one V(4), and one Co(2) atom. In the tenth O site, O(10) is bonded to one Li(2), one V(1), one V(3), and one Co(1) atom to form distorted OLiV2Co tetrahedra that share  a cornercorner with one O(14)LiV2Co trigonal pyramid, corners with two equivalent O(2)LiV3 trigonal pyramids, and  an edgeedge with one O(3)LiV3 trigonal pyramid. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(1), one V(3), and one Co(2) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one V(2), one V(4), and one Co(1) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(3), one V(5), and one Co(2) atom. In the fourteenth O site, O(14) is bonded to one Li(4), one V(4), one V(6), and one Co(1) atom to form distorted OLiV2Co trigonal pyramids that share  a cornercorner with one O(10)LiV2Co tetrahedra,  a cornercorner with one O(2)LiV3 trigonal pyramid, and  an edgeedge with one O(1)LiV3 trigonal pyramid. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(1), one V(5), and one Co(2) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one V(2), one V(6), and one Co(1) atom.
Li2V3CoO8 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(3), one O(5), one O(7), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(6)O6 octahedra, and corners with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-64°. The Li(1)-O(3) bond length is 2.06 Å. The Li(1)-O(5) bond length is 1.98 Å. The Li(1)-O(7) bond length is 1.96 Å. The Li(1)-O(9) bond length is 1.97 Å. In the second Li site, Li(2) is bonded to one O(10), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra, and corners with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-64°. The Li(2)-O(10) bond length is 2.03 Å. The Li(2)-O(4) bond length is 1.93 Å. The Li(2)-O(6) bond length is 2.03 Å. The Li(2)-O(8) bond length is 2.05 Å. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(13), and one O(15) atom to form LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra, and corners with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-67°. The Li(3)-O(1) bond length is 1.98 Å. The Li(3)-O(11) bond length is 2.03 Å. The Li(3)-O(13) bond length is 2.05 Å. The Li(3)-O(15) bond length is 2.03 Å. In the fourth Li site, Li(4) is bonded to one O(12), one O(14), one O(16), and one O(2) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(6)O6 octahedra, and corners with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-64°. The Li(4)-O(12) bond length is 2.02 Å. The Li(4)-O(14) bond length is 2.01 Å. The Li(4)-O(16) bond length is 2.02 Å. The Li(4)-O(2) bond length is 1.99 Å. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(11), one O(15), one O(2), one O(3), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The V(1)-O(10) bond length is 2.00 Å. The V(1)-O(11) bond length is 2.02 Å. The V(1)-O(15) bond length is 1.87 Å. The V(1)-O(2) bond length is 2.01 Å. The V(1)-O(3) bond length is 2.01 Å. The V(1)-O(6) bond length is 1.94 Å. In the second V site, V(2) is bonded to one O(1), one O(12), one O(16), one O(4), one O(5), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The V(2)-O(1) bond length is 2.02 Å. The V(2)-O(12) bond length is 2.04 Å. The V(2)-O(16) bond length is 2.03 Å. The V(2)-O(4) bond length is 2.02 Å. The V(2)-O(5) bond length is 2.07 Å. The V(2)-O(9) bond length is 2.08 Å. In the third V site, V(3) is bonded to one O(10), one O(11), one O(13), one O(2), one O(3), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The V(3)-O(10) bond length is 1.94 Å. The V(3)-O(11) bond length is 1.87 Å. The V(3)-O(13) bond length is 2.03 Å. The V(3)-O(2) bond length is 2.01 Å. The V(3)-O(3) bond length is 2.02 Å. The V(3)-O(8) bond length is 2.01 Å. In the fourth V site, V(4) is bonded to one O(1), one O(12), one O(14), one O(4), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The V(4)-O(1) bond length is 2.01 Å. The V(4)-O(12) bond length is 1.96 Å. The V(4)-O(14) bond length is 2.02 Å. The V(4)-O(4) bond length is 2.00 Å. The V(4)-O(7) bond length is 1.98 Å. The V(4)-O(9) bond length is 1.87 Å. In the fifth V site, V(5) is bonded to one O(13), one O(15), one O(2), one O(3), one O(6), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The V(5)-O(13) bond length is 1.88 Å. The V(5)-O(15) bond length is 2.02 Å. The V(5)-O(2) bond length is 2.01 Å. The V(5)-O(3) bond length is 2.02 Å. The V(5)-O(6) bond length is 2.00 Å. The V(5)-O(8) bond length is 1.94 Å. In the sixth V site, V(6) is bonded to one O(1), one O(14), one O(16), one O(4), one O(5), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The V(6)-O(1) bond length is 2.01 Å. The V(6)-O(14) bond length is 2.01 Å. The V(6)-O(16) bond length is 1.97 Å. The V(6)-O(4) bond length is 2.00 Å. The V(6)-O(5) bond length is 1.87 Å. The V(6)-O(7) bond length is 1.97 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form CoO6 octahedra that share 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(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and  an edgeedge with one V(6)O6 octahedra. The Co(1)-O(10) bond length is 1.98 Å. The Co(1)-O(12) bond length is 1.93 Å. The Co(1)-O(14) bond length is 1.92 Å. The Co(1)-O(16) bond length is 1.93 Å. The Co(1)-O(6) bond length is 1.98 Å. The Co(1)-O(8) bond length is 1.99 Å. In the second Co site, Co(2) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form CoO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and  an edgeedge with one V(6)O6 octahedra. The Co(2)-O(11) bond length is 2.14 Å. The Co(2)-O(13) bond length is 2.17 Å. The Co(2)-O(15) bond length is 2.15 Å. The Co(2)-O(5) bond length is 2.08 Å. The Co(2)-O(7) bond length is 2.09 Å. The Co(2)-O(9) bond length is 2.08 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one V(2), one V(4), and one V(6) atom to form distorted edge-sharing OLiV3 trigonal pyramids. In the second O site, O(2) is bonded to one Li(4), one V(1), one V(3), and one V(5) atom to form distorted OLiV3 trigonal pyramids that share corners with two equivalent O(10)LiV2Co tetrahedra,  a cornercorner with one O(14)LiV2Co trigonal pyramid, and corners with three equivalent O(3)LiV3 trigonal pyramids. In the third O site, O(3) is bonded to one Li(1), one V(1), one V(3), and one V(5) atom to form distorted OLiV3 trigonal pyramids that share corners with three equivalent O(2)LiV3 trigonal pyramids and  an edgeedge with one O(10)LiV2Co tetrahedra. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(2), one V(4), and one V(6) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(2), one V(6), and one Co(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(1), one V(5), and one Co(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(4), one V(6), and one Co(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(3), one V(5), and one Co(1) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), one V(4), and one Co(2) atom. In the tenth O site, O(10) is bonded to one Li(2), one V(1), one V(3), and one Co(1) atom to form distorted OLiV2Co tetrahedra that share  a cornercorner with one O(14)LiV2Co trigonal pyramid, corners with two equivalent O(2)LiV3 trigonal pyramids, and  an edgeedge with one O(3)LiV3 trigonal pyramid. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(1), one V(3), and one Co(2) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one V(2), one V(4), and one Co(1) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(3), one V(5), and one Co(2) atom. In the fourteenth O site, O(14) is bonded to one Li(4), one V(4), one V(6), and one Co(1) atom to form distorted OLiV2Co trigonal pyramids that share  a cornercorner with one O(10)LiV2Co tetrahedra,  a cornercorner with one O(2)LiV3 trigonal pyramid, and  an edgeedge with one O(1)LiV3 trigonal pyramid. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(1), one V(5), and one Co(2) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one V(2), one V(6), and one Co(1) atom.