Li3V4O8 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(11), one O(14), one O(16), one O(5), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent V(4)O6 octahedra, corners with three equivalent V(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, edges with two equivalent V(8)O6 octahedra,  a faceface with one Li(3)O4 tetrahedra, and  a faceface with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(13), one O(15), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent V(4)O6 octahedra, corners with three equivalent V(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, edges with two equivalent V(3)O6 octahedra,  a faceface with one Li(4)O4 tetrahedra, and  a faceface with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 7°. In the third Li site, Li(3) is bonded to one O(1), one O(5), one O(8), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one V(7)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, corners with three equivalent V(8)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-69°. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), one O(6), and one O(7) atom to form distorted 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(5)O6 octahedra, corners with two equivalent V(7)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-70°. In the fifth Li site, Li(5) is bonded to one O(12), one O(13), one O(15), and one O(3) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one V(7)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, corners with three equivalent V(3)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-69°. In the sixth Li site, Li(6) is bonded to one O(11), one O(14), one O(16), and one O(4) atom to form distorted 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(5)O6 octahedra, corners with two equivalent V(7)O6 octahedra, corners with three equivalent V(8)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-70°. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one O(12), one O(16), one O(2), one O(4), one O(6), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent V(7)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(11), one O(13), one O(3), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(8)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(13), one O(15), one O(2), one O(3), and one O(6) atom to form VO6 octahedra that share corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(5)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)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,  an edgeedge with one V(7)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. In the fourth V site, V(4) 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 VO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the fifth V site, V(5) 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 VO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the sixth V site, V(6) is bonded to one O(1), one O(11), one O(15), one O(3), one O(5), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the seventh V site, V(7) is bonded to one O(10), one O(12), one O(14), one O(2), one O(4), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. In the eighth V site, V(8) is bonded to one O(1), one O(14), one O(16), one O(4), one O(5), and one O(9) atom to form VO6 octahedra that share corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(6)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)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,  an edgeedge with one V(7)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(2), one V(6), and one V(8) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one V(1), one V(3), and one V(7) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), one V(2), one V(3), and one V(6) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(6), one V(1), one V(7), and one V(8) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one V(4), one V(6), and one V(8) 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(2), 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 seventh O site, O(7) is bonded to one Li(2), 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 eighth O site, O(8) is bonded to one Li(1), one Li(3), one V(1), one V(5), and one V(7) 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(3), one V(2), one V(4), and one V(8) 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(4), one V(3), one V(5), and one V(7) 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(6), 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 twelfth O site, O(12) is bonded to one Li(2), one Li(5), one V(1), one V(5), and one V(7) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the thirteenth O site, O(13) is bonded to one Li(2), one Li(5), one V(2), one V(3), and one V(4) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(6), one V(5), one V(7), and one V(8) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the fifteenth O site, O(15) is bonded to one Li(2), one Li(5), one V(3), one V(4), and one V(6) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the sixteenth O site, O(16) is bonded to one Li(1), one Li(6), one V(1), one V(5), and one V(8) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids.
Li3V4O8 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(11), one O(14), one O(16), one O(5), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent V(4)O6 octahedra, corners with three equivalent V(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, edges with two equivalent V(8)O6 octahedra,  a faceface with one Li(3)O4 tetrahedra, and  a faceface with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 6-8°. The Li(1)-O(11) bond length is 2.15 Å. The Li(1)-O(14) bond length is 2.19 Å. The Li(1)-O(16) bond length is 2.13 Å. The Li(1)-O(5) bond length is 2.19 Å. The Li(1)-O(8) bond length is 2.17 Å. The Li(1)-O(9) bond length is 2.16 Å. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(13), one O(15), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent V(4)O6 octahedra, corners with three equivalent V(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, edges with two equivalent V(3)O6 octahedra,  a faceface with one Li(4)O4 tetrahedra, and  a faceface with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 7°. The Li(2)-O(10) bond length is 2.18 Å. The Li(2)-O(12) bond length is 2.17 Å. The Li(2)-O(13) bond length is 2.15 Å. The Li(2)-O(15) bond length is 2.19 Å. The Li(2)-O(6) bond length is 2.13 Å. The Li(2)-O(7) bond length is 2.15 Å. In the third Li site, Li(3) is bonded to one O(1), one O(5), one O(8), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one V(7)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, corners with three equivalent V(8)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-69°. The Li(3)-O(1) bond length is 1.86 Å. The Li(3)-O(5) bond length is 2.07 Å. The Li(3)-O(8) bond length is 2.09 Å. The Li(3)-O(9) bond length is 2.05 Å. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), one O(6), and one O(7) atom to form distorted 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(5)O6 octahedra, corners with two equivalent V(7)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-70°. The Li(4)-O(10) bond length is 2.06 Å. The Li(4)-O(2) bond length is 1.86 Å. The Li(4)-O(6) bond length is 2.05 Å. The Li(4)-O(7) bond length is 2.08 Å. In the fifth Li site, Li(5) is bonded to one O(12), one O(13), one O(15), and one O(3) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one V(7)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, corners with three equivalent V(3)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-69°. The Li(5)-O(12) bond length is 2.08 Å. The Li(5)-O(13) bond length is 2.06 Å. The Li(5)-O(15) bond length is 2.06 Å. The Li(5)-O(3) bond length is 1.86 Å. In the sixth Li site, Li(6) is bonded to one O(11), one O(14), one O(16), and one O(4) atom to form distorted 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(5)O6 octahedra, corners with two equivalent V(7)O6 octahedra, corners with three equivalent V(8)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-70°. The Li(6)-O(11) bond length is 2.09 Å. The Li(6)-O(14) bond length is 2.05 Å. The Li(6)-O(16) bond length is 2.07 Å. The Li(6)-O(4) bond length is 1.87 Å. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one O(12), one O(16), one O(2), one O(4), one O(6), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent V(7)O6 octahedra. The V(1)-O(12) bond length is 2.02 Å. The V(1)-O(16) bond length is 2.02 Å. The V(1)-O(2) bond length is 1.90 Å. The V(1)-O(4) bond length is 1.91 Å. The V(1)-O(6) bond length is 2.01 Å. The V(1)-O(8) bond length is 2.02 Å. In the second V site, V(2) is bonded to one O(1), one O(11), one O(13), one O(3), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(8)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 1.90 Å. The V(2)-O(11) bond length is 2.02 Å. The V(2)-O(13) bond length is 2.03 Å. The V(2)-O(3) bond length is 1.90 Å. The V(2)-O(7) bond length is 2.02 Å. The V(2)-O(9) bond length is 2.00 Å. In the third V site, V(3) is bonded to one O(10), one O(13), one O(15), one O(2), one O(3), and one O(6) atom to form VO6 octahedra that share corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(5)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)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,  an edgeedge with one V(7)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The V(3)-O(10) bond length is 2.06 Å. The V(3)-O(13) bond length is 2.04 Å. The V(3)-O(15) bond length is 2.07 Å. The V(3)-O(2) bond length is 2.05 Å. The V(3)-O(3) bond length is 2.04 Å. The V(3)-O(6) bond length is 2.04 Å. In the fourth V site, V(4) 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 VO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. The V(4)-O(11) bond length is 2.12 Å. The V(4)-O(13) bond length is 2.11 Å. The V(4)-O(15) bond length is 2.08 Å. The V(4)-O(5) bond length is 2.08 Å. The V(4)-O(7) bond length is 2.11 Å. The V(4)-O(9) bond length is 2.11 Å. In the fifth V site, V(5) 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 VO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. The V(5)-O(10) bond length is 2.08 Å. The V(5)-O(12) bond length is 2.10 Å. The V(5)-O(14) bond length is 2.06 Å. The V(5)-O(16) bond length is 2.14 Å. The V(5)-O(6) bond length is 2.14 Å. The V(5)-O(8) bond length is 2.09 Å. In the sixth V site, V(6) is bonded to one O(1), one O(11), one O(15), one O(3), one O(5), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(8)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 2.04 Å. The V(6)-O(11) bond length is 2.06 Å. The V(6)-O(15) bond length is 2.04 Å. The V(6)-O(3) bond length is 2.04 Å. The V(6)-O(5) bond length is 2.06 Å. The V(6)-O(7) bond length is 2.06 Å. In the seventh V site, V(7) is bonded to one O(10), one O(12), one O(14), one O(2), one O(4), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The V(7)-O(10) bond length is 2.06 Å. The V(7)-O(12) bond length is 2.08 Å. The V(7)-O(14) bond length is 2.04 Å. The V(7)-O(2) bond length is 2.03 Å. The V(7)-O(4) bond length is 2.02 Å. The V(7)-O(8) bond length is 2.08 Å. In the eighth V site, V(8) is bonded to one O(1), one O(14), one O(16), one O(4), one O(5), and one O(9) atom to form VO6 octahedra that share corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(6)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)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,  an edgeedge with one V(7)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The V(8)-O(1) bond length is 2.03 Å. The V(8)-O(14) bond length is 2.08 Å. The V(8)-O(16) bond length is 2.03 Å. The V(8)-O(4) bond length is 2.03 Å. The V(8)-O(5) bond length is 2.04 Å. The V(8)-O(9) bond length is 2.07 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(2), one V(6), and one V(8) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one V(1), one V(3), and one V(7) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), one V(2), one V(3), and one V(6) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(6), one V(1), one V(7), and one V(8) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one V(4), one V(6), and one V(8) 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(2), 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 seventh O site, O(7) is bonded to one Li(2), 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 eighth O site, O(8) is bonded to one Li(1), one Li(3), one V(1), one V(5), and one V(7) 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(3), one V(2), one V(4), and one V(8) 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(4), one V(3), one V(5), and one V(7) 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(6), 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 twelfth O site, O(12) is bonded to one Li(2), one Li(5), one V(1), one V(5), and one V(7) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the thirteenth O site, O(13) is bonded to one Li(2), one Li(5), one V(2), one V(3), and one V(4) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(6), one V(5), one V(7), and one V(8) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the fifteenth O site, O(15) is bonded to one Li(2), one Li(5), one V(3), one V(4), and one V(6) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the sixteenth O site, O(16) is bonded to one Li(1), one Li(6), one V(1), one V(5), and one V(8) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids.