LiV2CoO6 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted VO6 octahedra that share edges with three equivalent Co(1)O6 octahedra. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted CoO6 octahedra that share edges with three equivalent V(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(1), one V(1), one V(2), and one Co(1) atom. In the second O site, O(2) is bonded to one Li(1), one V(1), one V(2), and one Co(1) atom to form distorted edge-sharing OLiV2Co trigonal pyramids. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one V(1), one V(2), and one Co(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Li(1), one V(1), one V(2), and one Co(1) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Li(1), one V(1), one V(2), and one Co(1) atom. In the sixth O site, O(6) is bonded to one Li(1), one V(1), one V(2), and one Co(1) atom to form distorted edge-sharing OLiV2Co trigonal pyramids.
LiV2CoO6 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Li(1)-O(1) bond length is 2.36 Å. The Li(1)-O(2) bond length is 2.18 Å. The Li(1)-O(3) bond length is 2.05 Å. The Li(1)-O(4) bond length is 2.24 Å. The Li(1)-O(5) bond length is 2.12 Å. The Li(1)-O(6) bond length is 1.97 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted VO6 octahedra that share edges with three equivalent Co(1)O6 octahedra. The V(1)-O(1) bond length is 2.10 Å. The V(1)-O(2) bond length is 2.07 Å. The V(1)-O(3) bond length is 1.74 Å. The V(1)-O(4) bond length is 2.25 Å. The V(1)-O(5) bond length is 1.92 Å. The V(1)-O(6) bond length is 1.91 Å. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The V(2)-O(1) bond length is 1.80 Å. The V(2)-O(2) bond length is 1.83 Å. The V(2)-O(3) bond length is 2.33 Å. The V(2)-O(4) bond length is 1.76 Å. The V(2)-O(5) bond length is 1.95 Å. The V(2)-O(6) bond length is 2.03 Å. Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted CoO6 octahedra that share edges with three equivalent V(1)O6 octahedra. The Co(1)-O(1) bond length is 2.07 Å. The Co(1)-O(2) bond length is 2.05 Å. The Co(1)-O(3) bond length is 2.17 Å. The Co(1)-O(4) bond length is 2.05 Å. The Co(1)-O(5) bond length is 2.13 Å. The Co(1)-O(6) bond length is 2.07 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(1), one V(1), one V(2), and one Co(1) atom. In the second O site, O(2) is bonded to one Li(1), one V(1), one V(2), and one Co(1) atom to form distorted edge-sharing OLiV2Co trigonal pyramids. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one V(1), one V(2), and one Co(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Li(1), one V(1), one V(2), and one Co(1) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Li(1), one V(1), one V(2), and one Co(1) atom. In the sixth O site, O(6) is bonded to one Li(1), one V(1), one V(2), and one Co(1) atom to form distorted edge-sharing OLiV2Co trigonal pyramids.