Li2V3CoO8 is Spinel-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)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 54-63°. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)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 55-63°. There are six inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) 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(6)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) 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(1)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. In the third V site, V(3) 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(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent V(4)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) 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(3)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. In the fifth V site, V(5) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) 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(3)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. In the sixth V site, V(6) 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(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 Co(1)O6 octahedra. Co(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form CoO6 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(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 eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(1), one V(2), and one V(6) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(3), one V(4), and one V(5) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(6), and one Co(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(3), one V(4), and one Co(1) 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(1) atom. In the sixth O site, O(6) is bonded to one Li(2), one V(3), one V(5), and one Co(1) atom to form distorted corner-sharing OLiV2Co trigonal pyramids. In the seventh O site, O(7) is bonded to one Li(1), one V(1), one V(2), and one Co(1) atom to form distorted corner-sharing OLiV2Co trigonal pyramids. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(4), one V(5), and one Co(1) atom.
Li2V3CoO8 is Spinel-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)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 54-63°. The Li(1)-O(2) bond length is 1.96 Å. The Li(1)-O(3) bond length is 2.00 Å. The Li(1)-O(5) bond length is 2.01 Å. The Li(1)-O(7) bond length is 2.01 Å. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)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 55-63°. The Li(2)-O(1) bond length is 1.96 Å. The Li(2)-O(4) bond length is 1.99 Å. The Li(2)-O(6) bond length is 2.01 Å. The Li(2)-O(8) bond length is 2.03 Å. There are six inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) 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(6)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. Both V(1)-O(1) bond lengths are 2.03 Å. Both V(1)-O(3) bond lengths are 1.89 Å. Both V(1)-O(7) bond lengths are 2.01 Å. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) 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(1)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. Both V(2)-O(1) bond lengths are 1.94 Å. Both V(2)-O(5) bond lengths are 1.98 Å. Both V(2)-O(7) bond lengths are 1.99 Å. In the third V site, V(3) 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(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent V(4)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. Both V(3)-O(2) bond lengths are 1.94 Å. Both V(3)-O(4) bond lengths are 1.98 Å. Both V(3)-O(6) bond lengths are 1.99 Å. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) 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(3)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. Both V(4)-O(2) bond lengths are 2.04 Å. Both V(4)-O(4) bond lengths are 2.01 Å. Both V(4)-O(8) bond lengths are 2.09 Å. In the fifth V site, V(5) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) 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(3)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. Both V(5)-O(2) bond lengths are 2.02 Å. Both V(5)-O(6) bond lengths are 2.01 Å. Both V(5)-O(8) bond lengths are 1.90 Å. In the sixth V site, V(6) 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(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 Co(1)O6 octahedra. Both V(6)-O(1) bond lengths are 2.03 Å. Both V(6)-O(3) bond lengths are 2.09 Å. Both V(6)-O(5) bond lengths are 2.01 Å. Co(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form CoO6 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(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(3) bond length is 1.98 Å. The Co(1)-O(4) bond length is 1.94 Å. The Co(1)-O(5) bond length is 1.95 Å. The Co(1)-O(6) bond length is 1.97 Å. The Co(1)-O(7) bond length is 1.95 Å. The Co(1)-O(8) bond length is 1.98 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(1), one V(2), and one V(6) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(3), one V(4), and one V(5) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(6), and one Co(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(3), one V(4), and one Co(1) 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(1) atom. In the sixth O site, O(6) is bonded to one Li(2), one V(3), one V(5), and one Co(1) atom to form distorted corner-sharing OLiV2Co trigonal pyramids. In the seventh O site, O(7) is bonded to one Li(1), one V(1), one V(2), and one Co(1) atom to form distorted corner-sharing OLiV2Co trigonal pyramids. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(4), one V(5), and one Co(1) atom.