Li2V3O6 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(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  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,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  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,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. In the third Li site, Li(3) is bonded to one O(10), one O(12), one O(2), one O(4), one O(5), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  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,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. In the fourth Li site, Li(4) is bonded to one O(1), one O(11), one O(3), one O(6), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  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,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(2), one O(3), one O(5), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(12), one O(4), one O(6), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. In the third V site, V(3) is bonded to one O(1), one O(11), one O(4), one O(5), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the fourth V site, V(4) is bonded to one O(10), one O(12), 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)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. In the fifth V site, V(5) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. In the sixth V site, V(6) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one V(2), one V(3), and one V(6) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(3), one V(1), one V(4), and one V(5) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the third O site, O(3) is bonded to one Li(2), one Li(4), one V(1), one V(4), and one V(5) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one V(2), one V(3), and one V(6) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one V(1), one V(3), and one V(6) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(4), one V(2), one V(4), and one V(5) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one V(1), one V(3), and one V(5) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(4), one V(2), one V(4), and one V(6) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the ninth O site, O(9) is bonded to one Li(1), one Li(4), one V(1), one V(3), and one V(6) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one V(2), one V(4), and one V(5) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one V(1), one V(3), and one V(5) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the twelfth O site, O(12) is bonded to one Li(2), one Li(3), one V(2), one V(4), and one V(6) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids.
Li2V3O6 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(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  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,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. The Li(1)-O(11) bond length is 2.18 Å. The Li(1)-O(2) bond length is 2.21 Å. The Li(1)-O(4) bond length is 2.20 Å. The Li(1)-O(6) bond length is 2.13 Å. The Li(1)-O(8) bond length is 2.19 Å. The Li(1)-O(9) bond length is 2.24 Å. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  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,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. The Li(2)-O(1) bond length is 2.16 Å. The Li(2)-O(10) bond length is 2.12 Å. The Li(2)-O(12) bond length is 2.18 Å. The Li(2)-O(3) bond length is 2.25 Å. The Li(2)-O(5) bond length is 2.23 Å. The Li(2)-O(7) bond length is 2.23 Å. In the third Li site, Li(3) is bonded to one O(10), one O(12), one O(2), one O(4), one O(5), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  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,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. The Li(3)-O(10) bond length is 2.23 Å. The Li(3)-O(12) bond length is 2.17 Å. The Li(3)-O(2) bond length is 2.23 Å. The Li(3)-O(4) bond length is 2.30 Å. The Li(3)-O(5) bond length is 2.13 Å. The Li(3)-O(7) bond length is 2.12 Å. In the fourth Li site, Li(4) is bonded to one O(1), one O(11), one O(3), one O(6), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  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,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. The Li(4)-O(1) bond length is 2.26 Å. The Li(4)-O(11) bond length is 2.13 Å. The Li(4)-O(3) bond length is 2.20 Å. The Li(4)-O(6) bond length is 2.19 Å. The Li(4)-O(8) bond length is 2.20 Å. The Li(4)-O(9) bond length is 2.21 Å. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(2), one O(3), one O(5), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. The V(1)-O(11) bond length is 2.10 Å. The V(1)-O(2) bond length is 2.06 Å. The V(1)-O(3) bond length is 2.06 Å. The V(1)-O(5) bond length is 1.99 Å. The V(1)-O(7) bond length is 2.11 Å. The V(1)-O(9) bond length is 1.99 Å. In the second V site, V(2) is bonded to one O(1), one O(10), one O(12), one O(4), one O(6), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. The V(2)-O(1) bond length is 2.03 Å. The V(2)-O(10) bond length is 2.03 Å. The V(2)-O(12) bond length is 2.05 Å. The V(2)-O(4) bond length is 2.10 Å. The V(2)-O(6) bond length is 2.03 Å. The V(2)-O(8) bond length is 2.05 Å. In the third V site, V(3) is bonded to one O(1), one O(11), one O(4), one O(5), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. The V(3)-O(1) bond length is 2.01 Å. The V(3)-O(11) bond length is 2.00 Å. The V(3)-O(4) bond length is 1.91 Å. The V(3)-O(5) bond length is 2.04 Å. The V(3)-O(7) bond length is 1.96 Å. The V(3)-O(9) bond length is 2.01 Å. In the fourth V site, V(4) is bonded to one O(10), one O(12), 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)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. The V(4)-O(10) bond length is 2.08 Å. The V(4)-O(12) bond length is 2.00 Å. The V(4)-O(2) bond length is 2.09 Å. The V(4)-O(3) bond length is 2.07 Å. The V(4)-O(6) bond length is 2.07 Å. The V(4)-O(8) bond length is 2.00 Å. In the fifth V site, V(5) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. The V(5)-O(10) bond length is 2.01 Å. The V(5)-O(11) bond length is 2.02 Å. The V(5)-O(2) bond length is 1.90 Å. The V(5)-O(3) bond length is 1.91 Å. The V(5)-O(6) bond length is 2.01 Å. The V(5)-O(7) bond length is 2.06 Å. In the sixth V site, V(6) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. The V(6)-O(1) bond length is 2.01 Å. The V(6)-O(12) bond length is 2.06 Å. The V(6)-O(4) bond length is 2.04 Å. The V(6)-O(5) bond length is 2.05 Å. The V(6)-O(8) bond length is 2.05 Å. The V(6)-O(9) bond length is 2.07 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one V(2), one V(3), and one V(6) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(3), one V(1), one V(4), and one V(5) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the third O site, O(3) is bonded to one Li(2), one Li(4), one V(1), one V(4), and one V(5) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one V(2), one V(3), and one V(6) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one V(1), one V(3), and one V(6) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(4), one V(2), one V(4), and one V(5) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one V(1), one V(3), and one V(5) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(4), one V(2), one V(4), and one V(6) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the ninth O site, O(9) is bonded to one Li(1), one Li(4), one V(1), one V(3), and one V(6) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one V(2), one V(4), and one V(5) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one V(1), one V(3), and one V(5) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the twelfth O site, O(12) is bonded to one Li(2), one Li(3), one V(2), one V(4), and one V(6) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids.