Li6V5O12 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, edges with three equivalent Li(6)O6 octahedra, and edges with three equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. In the second Li site, Li(2) is bonded to one O(1), one O(12), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(6)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, and edges with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-16°. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(4), and one O(9) atom. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(2), one O(3), one O(4), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(6)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, and edges with three equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(5), one O(6), one O(7), and one O(8) atom. In the sixth Li site, Li(6) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-16°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-17°. In the third V site, V(3) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the fourth V site, V(4) is bonded to one O(1), one O(12), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(6)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, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-15°. In the fifth V site, V(5) is bonded to one O(10), one O(11), one O(2), one O(3), one O(4), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(6)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, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-17°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(5), one V(1), one V(2), and one V(4) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(12)Li4V2 octahedra,  a cornercorner with one O(5)Li4V2 octahedra,  a cornercorner with one O(6)Li4V2 octahedra,  a cornercorner with one O(7)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid, corners with two equivalent O(3)Li2V3 square pyramids, corners with two equivalent O(9)Li2V3 square pyramids,  an edgeedge with one O(12)Li4V2 octahedra,  an edgeedge with one O(5)Li4V2 octahedra,  an edgeedge with one O(6)Li4V2 octahedra,  an edgeedge with one O(2)Li2V3 square pyramid, edges with two equivalent O(7)Li2V3 square pyramids, and edges with two equivalent O(8)Li2V3 square pyramids. The corner-sharing octahedral tilt angles range from 7-14°. In the second O site, O(2) is bonded to one Li(3), one Li(4), one V(1), one V(2), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(10)Li4V2 octahedra,  a cornercorner with one O(11)Li4V2 octahedra,  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(3)Li2V3 square pyramid,  a cornercorner with one O(9)Li2V3 square pyramid, corners with two equivalent O(7)Li2V3 square pyramids, corners with two equivalent O(8)Li2V3 square pyramids,  an edgeedge with one O(10)Li4V2 octahedra,  an edgeedge with one O(11)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(1)Li2V3 square pyramid, edges with two equivalent O(3)Li2V3 square pyramids, and edges with two equivalent O(9)Li2V3 square pyramids. The corner-sharing octahedral tilt angles range from 3-13°. In the third O site, O(3) is bonded to one Li(3), one Li(4), one V(1), one V(2), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(10)Li4V2 octahedra,  a cornercorner with one O(11)Li4V2 octahedra,  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(2)Li2V3 square pyramid,  a cornercorner with one O(9)Li2V3 square pyramid, corners with two equivalent O(1)Li2V3 square pyramids, corners with two equivalent O(8)Li2V3 square pyramids,  an edgeedge with one O(10)Li4V2 octahedra,  an edgeedge with one O(11)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(7)Li2V3 square pyramid, edges with two equivalent O(2)Li2V3 square pyramids, and edges with two equivalent O(9)Li2V3 square pyramids. The corner-sharing octahedral tilt angles range from 3-17°. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Li(4), one Li(6), one V(3), and one V(5) atom to form OLi4V2 octahedra that share  a cornercorner with one O(12)Li4V2 octahedra,  a cornercorner with one O(5)Li4V2 octahedra,  a cornercorner with one O(6)Li4V2 octahedra,  a cornercorner with one O(2)Li2V3 square pyramid,  a cornercorner with one O(3)Li2V3 square pyramid,  a cornercorner with one O(9)Li2V3 square pyramid,  an edgeedge with one O(12)Li4V2 octahedra,  an edgeedge with one O(5)Li4V2 octahedra,  an edgeedge with one O(6)Li4V2 octahedra, edges with three equivalent O(10)Li4V2 octahedra, edges with three equivalent O(11)Li4V2 octahedra,  an edgeedge with one O(2)Li2V3 square pyramid,  an edgeedge with one O(3)Li2V3 square pyramid, and  an edgeedge with one O(9)Li2V3 square pyramid. The corner-sharing octahedral tilt angles range from 6-9°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(5), one Li(6), one V(3), and one V(4) atom to form OLi4V2 octahedra that share  a cornercorner with one O(10)Li4V2 octahedra,  a cornercorner with one O(11)Li4V2 octahedra,  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(1)Li2V3 square pyramid,  a cornercorner with one O(7)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid,  an edgeedge with one O(10)Li4V2 octahedra,  an edgeedge with one O(11)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra, edges with three equivalent O(12)Li4V2 octahedra, edges with three equivalent O(6)Li4V2 octahedra,  an edgeedge with one O(1)Li2V3 square pyramid,  an edgeedge with one O(7)Li2V3 square pyramid, and  an edgeedge with one O(8)Li2V3 square pyramid. The corner-sharing octahedral tilt angles range from 8-10°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(5), one Li(6), one V(3), and one V(4) atom to form OLi4V2 octahedra that share  a cornercorner with one O(10)Li4V2 octahedra,  a cornercorner with one O(11)Li4V2 octahedra,  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(1)Li2V3 square pyramid,  a cornercorner with one O(7)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid,  an edgeedge with one O(10)Li4V2 octahedra,  an edgeedge with one O(11)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra, edges with three equivalent O(12)Li4V2 octahedra, edges with three equivalent O(5)Li4V2 octahedra,  an edgeedge with one O(1)Li2V3 square pyramid,  an edgeedge with one O(7)Li2V3 square pyramid, and  an edgeedge with one O(8)Li2V3 square pyramid. The corner-sharing octahedral tilt angles are 6°. In the seventh O site, O(7) is bonded to one Li(2), one Li(5), one V(1), one V(2), and one V(4) atom to form distorted OLi2V3 square pyramids that share  a cornercorner with one O(12)Li4V2 octahedra,  a cornercorner with one O(5)Li4V2 octahedra,  a cornercorner with one O(6)Li4V2 octahedra,  a cornercorner with one O(1)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid, corners with two equivalent O(2)Li2V3 square pyramids, corners with two equivalent O(9)Li2V3 square pyramids,  an edgeedge with one O(12)Li4V2 octahedra,  an edgeedge with one O(5)Li4V2 octahedra,  an edgeedge with one O(6)Li4V2 octahedra,  an edgeedge with one O(3)Li2V3 square pyramid, edges with two equivalent O(1)Li2V3 square pyramids, and edges with two equivalent O(8)Li2V3 square pyramids. The corner-sharing octahedral tilt angles range from 2-13°. In the eighth O site, O(8) is bonded to one Li(2), one Li(5), one V(1), one V(2), and one V(4) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(12)Li4V2 octahedra,  a cornercorner with one O(5)Li4V2 octahedra,  a cornercorner with one O(6)Li4V2 octahedra,  a cornercorner with one O(1)Li2V3 square pyramid,  a cornercorner with one O(7)Li2V3 square pyramid, corners with two equivalent O(2)Li2V3 square pyramids, corners with two equivalent O(3)Li2V3 square pyramids,  an edgeedge with one O(12)Li4V2 octahedra,  an edgeedge with one O(5)Li4V2 octahedra,  an edgeedge with one O(6)Li4V2 octahedra,  an edgeedge with one O(9)Li2V3 square pyramid, edges with two equivalent O(1)Li2V3 square pyramids, and edges with two equivalent O(7)Li2V3 square pyramids. The corner-sharing octahedral tilt angles range from 2-19°. In the ninth O site, O(9) is bonded to one Li(3), one Li(4), one V(1), one V(2), and one V(5) atom to form distorted OLi2V3 square pyramids that share  a cornercorner with one O(10)Li4V2 octahedra,  a cornercorner with one O(11)Li4V2 octahedra,  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(2)Li2V3 square pyramid,  a cornercorner with one O(3)Li2V3 square pyramid, corners with two equivalent O(1)Li2V3 square pyramids, corners with two equivalent O(7)Li2V3 square pyramids,  an edgeedge with one O(10)Li4V2 octahedra,  an edgeedge with one O(11)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(8)Li2V3 square pyramid, edges with two equivalent O(2)Li2V3 square pyramids, and edges with two equivalent O(3)Li2V3 square pyramids. The corner-sharing octahedral tilt angles range from 4-12°. In the tenth O site, O(10) is bonded to one Li(1), one Li(3), one Li(4), one Li(6), one V(3), and one V(5) atom to form OLi4V2 octahedra that share  a cornercorner with one O(12)Li4V2 octahedra,  a cornercorner with one O(5)Li4V2 octahedra,  a cornercorner with one O(6)Li4V2 octahedra,  a cornercorner with one O(2)Li2V3 square pyramid,  a cornercorner with one O(3)Li2V3 square pyramid,  a cornercorner with one O(9)Li2V3 square pyramid,  an edgeedge with one O(12)Li4V2 octahedra,  an edgeedge with one O(5)Li4V2 octahedra,  an edgeedge with one O(6)Li4V2 octahedra, edges with three equivalent O(11)Li4V2 octahedra, edges with three equivalent O(4)Li4V2 octahedra,  an edgeedge with one O(2)Li2V3 square pyramid,  an edgeedge with one O(3)Li2V3 square pyramid, and  an edgeedge with one O(9)Li2V3 square pyramid. The corner-sharing octahedral tilt angles range from 2-10°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Li(4), one Li(6), one V(3), and one V(5) atom to form OLi4V2 octahedra that share  a cornercorner with one O(12)Li4V2 octahedra,  a cornercorner with one O(5)Li4V2 octahedra,  a cornercorner with one O(6)Li4V2 octahedra,  a cornercorner with one O(2)Li2V3 square pyramid,  a cornercorner with one O(3)Li2V3 square pyramid,  a cornercorner with one O(9)Li2V3 square pyramid,  an edgeedge with one O(12)Li4V2 octahedra,  an edgeedge with one O(5)Li4V2 octahedra,  an edgeedge with one O(6)Li4V2 octahedra, edges with three equivalent O(10)Li4V2 octahedra, edges with three equivalent O(4)Li4V2 octahedra,  an edgeedge with one O(2)Li2V3 square pyramid,  an edgeedge with one O(3)Li2V3 square pyramid, and  an edgeedge with one O(9)Li2V3 square pyramid. The corner-sharing octahedral tilt angles range from 6-12°. In the twelfth O site, O(12) is bonded to one Li(1), one Li(2), one Li(5), one Li(6), one V(3), and one V(4) atom to form distorted OLi4V2 octahedra that share  a cornercorner with one O(10)Li4V2 octahedra,  a cornercorner with one O(11)Li4V2 octahedra,  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(1)Li2V3 square pyramid,  a cornercorner with one O(7)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid,  an edgeedge with one O(10)Li4V2 octahedra,  an edgeedge with one O(11)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra, edges with three equivalent O(5)Li4V2 octahedra, edges with three equivalent O(6)Li4V2 octahedra,  an edgeedge with one O(1)Li2V3 square pyramid,  an edgeedge with one O(7)Li2V3 square pyramid, and  an edgeedge with one O(8)Li2V3 square pyramid. The corner-sharing octahedral tilt angles range from 2-12°.
Li6V5O12 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, edges with three equivalent Li(6)O6 octahedra, and edges with three equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. The Li(1)-O(10) bond length is 2.33 Å. The Li(1)-O(11) bond length is 2.00 Å. The Li(1)-O(12) bond length is 2.41 Å. The Li(1)-O(4) bond length is 2.04 Å. The Li(1)-O(5) bond length is 2.01 Å. The Li(1)-O(6) bond length is 2.07 Å. In the second Li site, Li(2) is bonded to one O(1), one O(12), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(6)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, and edges with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-16°. The Li(2)-O(1) bond length is 2.08 Å. The Li(2)-O(12) bond length is 2.09 Å. The Li(2)-O(5) bond length is 2.04 Å. The Li(2)-O(6) bond length is 2.21 Å. The Li(2)-O(7) bond length is 2.08 Å. The Li(2)-O(8) bond length is 2.34 Å. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(4), and one O(9) atom. The Li(3)-O(10) bond length is 1.99 Å. The Li(3)-O(11) bond length is 2.25 Å. The Li(3)-O(2) bond length is 2.05 Å. The Li(3)-O(3) bond length is 2.00 Å. The Li(3)-O(4) bond length is 2.11 Å. The Li(3)-O(9) bond length is 2.59 Å. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(2), one O(3), one O(4), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(6)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, and edges with three equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. The Li(4)-O(10) bond length is 2.02 Å. The Li(4)-O(11) bond length is 2.08 Å. The Li(4)-O(2) bond length is 2.14 Å. The Li(4)-O(3) bond length is 2.36 Å. The Li(4)-O(4) bond length is 2.22 Å. The Li(4)-O(9) bond length is 2.02 Å. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(5), one O(6), one O(7), and one O(8) atom. The Li(5)-O(1) bond length is 2.06 Å. The Li(5)-O(12) bond length is 1.95 Å. The Li(5)-O(5) bond length is 2.22 Å. The Li(5)-O(6) bond length is 2.08 Å. The Li(5)-O(7) bond length is 2.60 Å. The Li(5)-O(8) bond length is 1.99 Å. In the sixth Li site, Li(6) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. The Li(6)-O(10) bond length is 2.08 Å. The Li(6)-O(11) bond length is 2.08 Å. The Li(6)-O(12) bond length is 2.13 Å. The Li(6)-O(4) bond length is 2.17 Å. The Li(6)-O(5) bond length is 2.10 Å. The Li(6)-O(6) bond length is 2.18 Å. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-16°. The V(1)-O(1) bond length is 2.02 Å. The V(1)-O(2) bond length is 1.99 Å. The V(1)-O(3) bond length is 1.96 Å. The V(1)-O(7) bond length is 1.99 Å. The V(1)-O(8) bond length is 1.89 Å. The V(1)-O(9) bond length is 2.02 Å. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-17°. The V(2)-O(1) bond length is 2.04 Å. The V(2)-O(2) bond length is 2.05 Å. The V(2)-O(3) bond length is 2.10 Å. The V(2)-O(7) bond length is 2.02 Å. The V(2)-O(8) bond length is 2.13 Å. The V(2)-O(9) bond length is 1.94 Å. In the third V site, V(3) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. The V(3)-O(10) bond length is 1.95 Å. The V(3)-O(11) bond length is 1.98 Å. The V(3)-O(12) bond length is 2.00 Å. The V(3)-O(4) bond length is 1.84 Å. The V(3)-O(5) bond length is 2.06 Å. The V(3)-O(6) bond length is 2.13 Å. In the fourth V site, V(4) is bonded to one O(1), one O(12), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(6)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, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-15°. The V(4)-O(1) bond length is 2.02 Å. The V(4)-O(12) bond length is 1.97 Å. The V(4)-O(5) bond length is 1.93 Å. The V(4)-O(6) bond length is 1.85 Å. The V(4)-O(7) bond length is 2.04 Å. The V(4)-O(8) bond length is 2.11 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(4), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(6)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, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-17°. The V(5)-O(10) bond length is 2.01 Å. The V(5)-O(11) bond length is 2.00 Å. The V(5)-O(2) bond length is 2.02 Å. The V(5)-O(3) bond length is 2.02 Å. The V(5)-O(4) bond length is 2.14 Å. The V(5)-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(5), one V(1), one V(2), and one V(4) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(12)Li4V2 octahedra,  a cornercorner with one O(5)Li4V2 octahedra,  a cornercorner with one O(6)Li4V2 octahedra,  a cornercorner with one O(7)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid, corners with two equivalent O(3)Li2V3 square pyramids, corners with two equivalent O(9)Li2V3 square pyramids,  an edgeedge with one O(12)Li4V2 octahedra,  an edgeedge with one O(5)Li4V2 octahedra,  an edgeedge with one O(6)Li4V2 octahedra,  an edgeedge with one O(2)Li2V3 square pyramid, edges with two equivalent O(7)Li2V3 square pyramids, and edges with two equivalent O(8)Li2V3 square pyramids. The corner-sharing octahedral tilt angles range from 7-14°. In the second O site, O(2) is bonded to one Li(3), one Li(4), one V(1), one V(2), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(10)Li4V2 octahedra,  a cornercorner with one O(11)Li4V2 octahedra,  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(3)Li2V3 square pyramid,  a cornercorner with one O(9)Li2V3 square pyramid, corners with two equivalent O(7)Li2V3 square pyramids, corners with two equivalent O(8)Li2V3 square pyramids,  an edgeedge with one O(10)Li4V2 octahedra,  an edgeedge with one O(11)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(1)Li2V3 square pyramid, edges with two equivalent O(3)Li2V3 square pyramids, and edges with two equivalent O(9)Li2V3 square pyramids. The corner-sharing octahedral tilt angles range from 3-13°. In the third O site, O(3) is bonded to one Li(3), one Li(4), one V(1), one V(2), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(10)Li4V2 octahedra,  a cornercorner with one O(11)Li4V2 octahedra,  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(2)Li2V3 square pyramid,  a cornercorner with one O(9)Li2V3 square pyramid, corners with two equivalent O(1)Li2V3 square pyramids, corners with two equivalent O(8)Li2V3 square pyramids,  an edgeedge with one O(10)Li4V2 octahedra,  an edgeedge with one O(11)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(7)Li2V3 square pyramid, edges with two equivalent O(2)Li2V3 square pyramids, and edges with two equivalent O(9)Li2V3 square pyramids. The corner-sharing octahedral tilt angles range from 3-17°. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Li(4), one Li(6), one V(3), and one V(5) atom to form OLi4V2 octahedra that share  a cornercorner with one O(12)Li4V2 octahedra,  a cornercorner with one O(5)Li4V2 octahedra,  a cornercorner with one O(6)Li4V2 octahedra,  a cornercorner with one O(2)Li2V3 square pyramid,  a cornercorner with one O(3)Li2V3 square pyramid,  a cornercorner with one O(9)Li2V3 square pyramid,  an edgeedge with one O(12)Li4V2 octahedra,  an edgeedge with one O(5)Li4V2 octahedra,  an edgeedge with one O(6)Li4V2 octahedra, edges with three equivalent O(10)Li4V2 octahedra, edges with three equivalent O(11)Li4V2 octahedra,  an edgeedge with one O(2)Li2V3 square pyramid,  an edgeedge with one O(3)Li2V3 square pyramid, and  an edgeedge with one O(9)Li2V3 square pyramid. The corner-sharing octahedral tilt angles range from 6-9°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(5), one Li(6), one V(3), and one V(4) atom to form OLi4V2 octahedra that share  a cornercorner with one O(10)Li4V2 octahedra,  a cornercorner with one O(11)Li4V2 octahedra,  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(1)Li2V3 square pyramid,  a cornercorner with one O(7)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid,  an edgeedge with one O(10)Li4V2 octahedra,  an edgeedge with one O(11)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra, edges with three equivalent O(12)Li4V2 octahedra, edges with three equivalent O(6)Li4V2 octahedra,  an edgeedge with one O(1)Li2V3 square pyramid,  an edgeedge with one O(7)Li2V3 square pyramid, and  an edgeedge with one O(8)Li2V3 square pyramid. The corner-sharing octahedral tilt angles range from 8-10°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(5), one Li(6), one V(3), and one V(4) atom to form OLi4V2 octahedra that share  a cornercorner with one O(10)Li4V2 octahedra,  a cornercorner with one O(11)Li4V2 octahedra,  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(1)Li2V3 square pyramid,  a cornercorner with one O(7)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid,  an edgeedge with one O(10)Li4V2 octahedra,  an edgeedge with one O(11)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra, edges with three equivalent O(12)Li4V2 octahedra, edges with three equivalent O(5)Li4V2 octahedra,  an edgeedge with one O(1)Li2V3 square pyramid,  an edgeedge with one O(7)Li2V3 square pyramid, and  an edgeedge with one O(8)Li2V3 square pyramid. The corner-sharing octahedral tilt angles are 6°. In the seventh O site, O(7) is bonded to one Li(2), one Li(5), one V(1), one V(2), and one V(4) atom to form distorted OLi2V3 square pyramids that share  a cornercorner with one O(12)Li4V2 octahedra,  a cornercorner with one O(5)Li4V2 octahedra,  a cornercorner with one O(6)Li4V2 octahedra,  a cornercorner with one O(1)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid, corners with two equivalent O(2)Li2V3 square pyramids, corners with two equivalent O(9)Li2V3 square pyramids,  an edgeedge with one O(12)Li4V2 octahedra,  an edgeedge with one O(5)Li4V2 octahedra,  an edgeedge with one O(6)Li4V2 octahedra,  an edgeedge with one O(3)Li2V3 square pyramid, edges with two equivalent O(1)Li2V3 square pyramids, and edges with two equivalent O(8)Li2V3 square pyramids. The corner-sharing octahedral tilt angles range from 2-13°. In the eighth O site, O(8) is bonded to one Li(2), one Li(5), one V(1), one V(2), and one V(4) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(12)Li4V2 octahedra,  a cornercorner with one O(5)Li4V2 octahedra,  a cornercorner with one O(6)Li4V2 octahedra,  a cornercorner with one O(1)Li2V3 square pyramid,  a cornercorner with one O(7)Li2V3 square pyramid, corners with two equivalent O(2)Li2V3 square pyramids, corners with two equivalent O(3)Li2V3 square pyramids,  an edgeedge with one O(12)Li4V2 octahedra,  an edgeedge with one O(5)Li4V2 octahedra,  an edgeedge with one O(6)Li4V2 octahedra,  an edgeedge with one O(9)Li2V3 square pyramid, edges with two equivalent O(1)Li2V3 square pyramids, and edges with two equivalent O(7)Li2V3 square pyramids. The corner-sharing octahedral tilt angles range from 2-19°. In the ninth O site, O(9) is bonded to one Li(3), one Li(4), one V(1), one V(2), and one V(5) atom to form distorted OLi2V3 square pyramids that share  a cornercorner with one O(10)Li4V2 octahedra,  a cornercorner with one O(11)Li4V2 octahedra,  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(2)Li2V3 square pyramid,  a cornercorner with one O(3)Li2V3 square pyramid, corners with two equivalent O(1)Li2V3 square pyramids, corners with two equivalent O(7)Li2V3 square pyramids,  an edgeedge with one O(10)Li4V2 octahedra,  an edgeedge with one O(11)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(8)Li2V3 square pyramid, edges with two equivalent O(2)Li2V3 square pyramids, and edges with two equivalent O(3)Li2V3 square pyramids. The corner-sharing octahedral tilt angles range from 4-12°. In the tenth O site, O(10) is bonded to one Li(1), one Li(3), one Li(4), one Li(6), one V(3), and one V(5) atom to form OLi4V2 octahedra that share  a cornercorner with one O(12)Li4V2 octahedra,  a cornercorner with one O(5)Li4V2 octahedra,  a cornercorner with one O(6)Li4V2 octahedra,  a cornercorner with one O(2)Li2V3 square pyramid,  a cornercorner with one O(3)Li2V3 square pyramid,  a cornercorner with one O(9)Li2V3 square pyramid,  an edgeedge with one O(12)Li4V2 octahedra,  an edgeedge with one O(5)Li4V2 octahedra,  an edgeedge with one O(6)Li4V2 octahedra, edges with three equivalent O(11)Li4V2 octahedra, edges with three equivalent O(4)Li4V2 octahedra,  an edgeedge with one O(2)Li2V3 square pyramid,  an edgeedge with one O(3)Li2V3 square pyramid, and  an edgeedge with one O(9)Li2V3 square pyramid. The corner-sharing octahedral tilt angles range from 2-10°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Li(4), one Li(6), one V(3), and one V(5) atom to form OLi4V2 octahedra that share  a cornercorner with one O(12)Li4V2 octahedra,  a cornercorner with one O(5)Li4V2 octahedra,  a cornercorner with one O(6)Li4V2 octahedra,  a cornercorner with one O(2)Li2V3 square pyramid,  a cornercorner with one O(3)Li2V3 square pyramid,  a cornercorner with one O(9)Li2V3 square pyramid,  an edgeedge with one O(12)Li4V2 octahedra,  an edgeedge with one O(5)Li4V2 octahedra,  an edgeedge with one O(6)Li4V2 octahedra, edges with three equivalent O(10)Li4V2 octahedra, edges with three equivalent O(4)Li4V2 octahedra,  an edgeedge with one O(2)Li2V3 square pyramid,  an edgeedge with one O(3)Li2V3 square pyramid, and  an edgeedge with one O(9)Li2V3 square pyramid. The corner-sharing octahedral tilt angles range from 6-12°. In the twelfth O site, O(12) is bonded to one Li(1), one Li(2), one Li(5), one Li(6), one V(3), and one V(4) atom to form distorted OLi4V2 octahedra that share  a cornercorner with one O(10)Li4V2 octahedra,  a cornercorner with one O(11)Li4V2 octahedra,  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(1)Li2V3 square pyramid,  a cornercorner with one O(7)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid,  an edgeedge with one O(10)Li4V2 octahedra,  an edgeedge with one O(11)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra, edges with three equivalent O(5)Li4V2 octahedra, edges with three equivalent O(6)Li4V2 octahedra,  an edgeedge with one O(1)Li2V3 square pyramid,  an edgeedge with one O(7)Li2V3 square pyramid, and  an edgeedge with one O(8)Li2V3 square pyramid. The corner-sharing octahedral tilt angles range from 2-12°.