Li6V2O5F2 crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), one O(9), one F(1), and one F(3) atom to form LiO3F2 square pyramids that share  a cornercorner with one Li(10)O3F2 square pyramid,  a cornercorner with one Li(2)O3F2 square pyramid,  a cornercorner with one Li(5)O4F square pyramid,  a cornercorner with one Li(7)O5 square pyramid, corners with two equivalent Li(9)O3F2 square pyramids, corners with three equivalent Li(6)O3F2 trigonal bipyramids,  an edgeedge with one V(2)O4F2 octahedra,  an edgeedge with one V(1)O5F octahedra, edges with two equivalent V(3)O4F2 octahedra,  an edgeedge with one Li(11)O3F2 square pyramid,  an edgeedge with one Li(2)O3F2 square pyramid,  an edgeedge with one Li(12)O5 square pyramid, and  an edgeedge with one Li(7)O5 square pyramid. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(8), one F(1), and one F(3) atom to form distorted LiO3F2 square pyramids that share corners with three equivalent V(2)O4F2 octahedra,  a cornercorner with one Li(1)O3F2 square pyramid,  a cornercorner with one Li(9)O3F2 square pyramid,  a cornercorner with one Li(5)O4F square pyramid,  a cornercorner with one Li(7)O5 square pyramid, corners with two equivalent Li(10)O3F2 square pyramids,  an edgeedge with one V(1)O5F octahedra, edges with two equivalent V(3)O4F2 octahedra,  an edgeedge with one Li(1)O3F2 square pyramid,  an edgeedge with one Li(11)O3F2 square pyramid,  an edgeedge with one Li(12)O5 square pyramid,  an edgeedge with one Li(7)O5 square pyramid, and  an edgeedge with one Li(6)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 7-12°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(5), one F(2), and one F(4) atom to form LiO3F2 square pyramids that share  a cornercorner with one Li(8)O3F2 square pyramid,  a cornercorner with one Li(12)O5 square pyramid,  a cornercorner with one Li(4)O5 square pyramid, corners with two equivalent Li(11)O3F2 square pyramids, corners with three equivalent Li(5)O4F square pyramids,  a cornercorner with one Li(6)O3F2 trigonal bipyramid,  an edgeedge with one V(2)O4F2 octahedra,  an edgeedge with one V(1)O5F octahedra, edges with two equivalent V(4)O4F2 octahedra,  an edgeedge with one Li(10)O3F2 square pyramid,  an edgeedge with one Li(8)O3F2 square pyramid,  an edgeedge with one Li(9)O3F2 square pyramid, and  an edgeedge with one Li(4)O5 square pyramid. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(5), one O(6), and one O(7) atom to form LiO5 square pyramids that share corners with three equivalent V(1)O5F octahedra,  a cornercorner with one Li(11)O3F2 square pyramid,  a cornercorner with one Li(3)O3F2 square pyramid,  a cornercorner with one Li(8)O3F2 square pyramid, corners with two equivalent Li(12)O5 square pyramids,  a cornercorner with one Li(6)O3F2 trigonal bipyramid,  an edgeedge with one V(2)O4F2 octahedra, edges with two equivalent V(4)O4F2 octahedra,  an edgeedge with one Li(10)O3F2 square pyramid,  an edgeedge with one Li(3)O3F2 square pyramid,  an edgeedge with one Li(8)O3F2 square pyramid,  an edgeedge with one Li(9)O3F2 square pyramid, and  an edgeedge with one Li(5)O4F square pyramid. The corner-sharing octahedral tilt angles range from 9-13°. In the fifth Li site, Li(5) is bonded to one O(1), one O(3), one O(4), one O(5), and one F(4) atom to form LiO4F square pyramids that share  a cornercorner with one Li(1)O3F2 square pyramid,  a cornercorner with one Li(10)O3F2 square pyramid,  a cornercorner with one Li(2)O3F2 square pyramid,  a cornercorner with one Li(9)O3F2 square pyramid, corners with two equivalent Li(7)O5 square pyramids, corners with three equivalent Li(3)O3F2 square pyramids,  an edgeedge with one V(3)O4F2 octahedra,  an edgeedge with one V(4)O4F2 octahedra, edges with two equivalent V(1)O5F octahedra,  an edgeedge with one Li(10)O3F2 square pyramid,  an edgeedge with one Li(8)O3F2 square pyramid,  an edgeedge with one Li(9)O3F2 square pyramid, and  an edgeedge with one Li(4)O5 square pyramid. In the sixth Li site, Li(6) is bonded to one O(2), one O(7), one O(9), one F(1), and one F(2) atom to form LiO3F2 trigonal bipyramids that share  a cornercorner with one Li(11)O3F2 square pyramid,  a cornercorner with one Li(3)O3F2 square pyramid,  a cornercorner with one Li(12)O5 square pyramid,  a cornercorner with one Li(4)O5 square pyramid, corners with two equivalent Li(8)O3F2 square pyramids, corners with three equivalent Li(1)O3F2 square pyramids,  an edgeedge with one V(3)O4F2 octahedra,  an edgeedge with one V(4)O4F2 octahedra, edges with two equivalent V(2)O4F2 octahedra,  an edgeedge with one Li(11)O3F2 square pyramid,  an edgeedge with one Li(2)O3F2 square pyramid,  an edgeedge with one Li(12)O5 square pyramid, and  an edgeedge with one Li(7)O5 square pyramid. In the seventh Li site, Li(7) is bonded to one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form LiO5 square pyramids that share  a cornercorner with one Li(1)O3F2 square pyramid,  a cornercorner with one Li(10)O3F2 square pyramid,  a cornercorner with one Li(2)O3F2 square pyramid,  a cornercorner with one Li(9)O3F2 square pyramid, corners with two equivalent Li(5)O4F square pyramids, corners with three equivalent Li(12)O5 square pyramids,  an edgeedge with one V(2)O4F2 octahedra,  an edgeedge with one V(1)O5F octahedra, edges with two equivalent V(3)O4F2 octahedra,  an edgeedge with one Li(1)O3F2 square pyramid,  an edgeedge with one Li(11)O3F2 square pyramid,  an edgeedge with one Li(2)O3F2 square pyramid, and  an edgeedge with one Li(6)O3F2 trigonal bipyramid. In the eighth Li site, Li(8) is bonded to one O(1), one O(6), one O(7), one F(2), and one F(4) atom to form LiO3F2 square pyramids that share  a cornercorner with one Li(11)O3F2 square pyramid,  a cornercorner with one Li(3)O3F2 square pyramid,  a cornercorner with one Li(12)O5 square pyramid,  a cornercorner with one Li(4)O5 square pyramid, corners with three equivalent Li(10)O3F2 square pyramids, corners with two equivalent Li(6)O3F2 trigonal bipyramids,  an edgeedge with one V(2)O4F2 octahedra,  an edgeedge with one V(1)O5F octahedra, edges with two equivalent V(4)O4F2 octahedra,  an edgeedge with one Li(3)O3F2 square pyramid,  an edgeedge with one Li(9)O3F2 square pyramid,  an edgeedge with one Li(5)O4F square pyramid, and  an edgeedge with one Li(4)O5 square pyramid. In the ninth Li site, Li(9) is bonded to one O(4), one O(5), one O(6), one F(3), and one F(4) atom to form LiO3F2 square pyramids that share corners with three equivalent V(4)O4F2 octahedra,  a cornercorner with one Li(10)O3F2 square pyramid,  a cornercorner with one Li(2)O3F2 square pyramid,  a cornercorner with one Li(5)O4F square pyramid,  a cornercorner with one Li(7)O5 square pyramid, corners with two equivalent Li(1)O3F2 square pyramids,  an edgeedge with one V(3)O4F2 octahedra, edges with two equivalent V(1)O5F octahedra,  an edgeedge with one Li(10)O3F2 square pyramid,  an edgeedge with one Li(3)O3F2 square pyramid,  an edgeedge with one Li(8)O3F2 square pyramid,  an edgeedge with one Li(5)O4F square pyramid, and  an edgeedge with one Li(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 1-9°. In the tenth Li site, Li(10) is bonded to one O(1), one O(3), one O(6), one F(3), and one F(4) atom to form LiO3F2 square pyramids that share  a cornercorner with one Li(1)O3F2 square pyramid,  a cornercorner with one Li(9)O3F2 square pyramid,  a cornercorner with one Li(5)O4F square pyramid,  a cornercorner with one Li(7)O5 square pyramid, corners with two equivalent Li(2)O3F2 square pyramids, corners with three equivalent Li(8)O3F2 square pyramids,  an edgeedge with one V(3)O4F2 octahedra,  an edgeedge with one V(4)O4F2 octahedra, edges with two equivalent V(1)O5F octahedra,  an edgeedge with one Li(3)O3F2 square pyramid,  an edgeedge with one Li(9)O3F2 square pyramid,  an edgeedge with one Li(5)O4F square pyramid, and  an edgeedge with one Li(4)O5 square pyramid. In the eleventh Li site, Li(11) is bonded to one O(10), one O(8), one O(9), one F(1), and one F(2) atom to form distorted LiO3F2 square pyramids that share corners with three equivalent V(3)O4F2 octahedra,  a cornercorner with one Li(8)O3F2 square pyramid,  a cornercorner with one Li(12)O5 square pyramid,  a cornercorner with one Li(4)O5 square pyramid, corners with two equivalent Li(3)O3F2 square pyramids,  a cornercorner with one Li(6)O3F2 trigonal bipyramid,  an edgeedge with one V(4)O4F2 octahedra, edges with two equivalent V(2)O4F2 octahedra,  an edgeedge with one Li(1)O3F2 square pyramid,  an edgeedge with one Li(2)O3F2 square pyramid,  an edgeedge with one Li(12)O5 square pyramid,  an edgeedge with one Li(7)O5 square pyramid, and  an edgeedge with one Li(6)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 6-16°. In the twelfth Li site, Li(12) is bonded to one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form LiO5 square pyramids that share  a cornercorner with one Li(11)O3F2 square pyramid,  a cornercorner with one Li(3)O3F2 square pyramid,  a cornercorner with one Li(8)O3F2 square pyramid, corners with two equivalent Li(4)O5 square pyramids, corners with three equivalent Li(7)O5 square pyramids,  a cornercorner with one Li(6)O3F2 trigonal bipyramid,  an edgeedge with one V(3)O4F2 octahedra,  an edgeedge with one V(4)O4F2 octahedra, edges with two equivalent V(2)O4F2 octahedra,  an edgeedge with one Li(1)O3F2 square pyramid,  an edgeedge with one Li(11)O3F2 square pyramid,  an edgeedge with one Li(2)O3F2 square pyramid, and  an edgeedge with one Li(6)O3F2 trigonal bipyramid. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one F(3) atom to form VO5F octahedra that share corners with three equivalent V(3)O4F2 octahedra, corners with three equivalent Li(4)O5 square pyramids,  an edgeedge with one V(4)O4F2 octahedra,  an edgeedge with one Li(1)O3F2 square pyramid,  an edgeedge with one Li(2)O3F2 square pyramid,  an edgeedge with one Li(3)O3F2 square pyramid,  an edgeedge with one Li(8)O3F2 square pyramid,  an edgeedge with one Li(7)O5 square pyramid, edges with two equivalent Li(10)O3F2 square pyramids, edges with two equivalent Li(9)O3F2 square pyramids, and edges with two equivalent Li(5)O4F square pyramids. The corner-sharing octahedral tilt angles range from 5-11°. In the second V site, V(2) is bonded to one O(10), one O(2), one O(7), one O(8), one F(1), and one F(2) atom to form VO4F2 octahedra that share corners with three equivalent V(4)O4F2 octahedra, corners with three equivalent Li(2)O3F2 square pyramids,  an edgeedge with one V(3)O4F2 octahedra,  an edgeedge with one Li(1)O3F2 square pyramid,  an edgeedge with one Li(3)O3F2 square pyramid,  an edgeedge with one Li(8)O3F2 square pyramid,  an edgeedge with one Li(4)O5 square pyramid,  an edgeedge with one Li(7)O5 square pyramid, edges with two equivalent Li(11)O3F2 square pyramids, edges with two equivalent Li(12)O5 square pyramids, and edges with two equivalent Li(6)O3F2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 1-5°. In the third V site, V(3) is bonded to one O(3), one O(4), one O(8), one O(9), one F(1), and one F(3) atom to form VO4F2 octahedra that share corners with three equivalent V(1)O5F octahedra, corners with three equivalent Li(11)O3F2 square pyramids,  an edgeedge with one V(2)O4F2 octahedra,  an edgeedge with one Li(10)O3F2 square pyramid,  an edgeedge with one Li(9)O3F2 square pyramid,  an edgeedge with one Li(5)O4F square pyramid,  an edgeedge with one Li(12)O5 square pyramid, edges with two equivalent Li(1)O3F2 square pyramids, edges with two equivalent Li(2)O3F2 square pyramids, edges with two equivalent Li(7)O5 square pyramids, and  an edgeedge with one Li(6)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 5-11°. In the fourth V site, V(4) is bonded to one O(10), one O(5), one O(6), one O(7), one F(2), and one F(4) atom to form VO4F2 octahedra that share corners with three equivalent V(2)O4F2 octahedra, corners with three equivalent Li(9)O3F2 square pyramids,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one Li(10)O3F2 square pyramid,  an edgeedge with one Li(11)O3F2 square pyramid,  an edgeedge with one Li(5)O4F square pyramid,  an edgeedge with one Li(12)O5 square pyramid, edges with two equivalent Li(3)O3F2 square pyramids, edges with two equivalent Li(8)O3F2 square pyramids, edges with two equivalent Li(4)O5 square pyramids, and  an edgeedge with one Li(6)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 1-5°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(10), one Li(3), one Li(4), one Li(5), one Li(8), and one V(1) atom to form OLi5V octahedra that share corners with three equivalent O(3)Li4V2 octahedra,  an edgeedge with one O(10)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(7)Li4V2 octahedra,  an edgeedge with one F(2)Li4V2 octahedra,  an edgeedge with one F(3)Li4V2 octahedra, edges with two equivalent O(5)Li4V2 octahedra, edges with two equivalent O(6)Li4V2 octahedra, and edges with two equivalent F(4)Li5V octahedra. The corner-sharing octahedral tilt angles range from 8-14°. In the second O site, O(2) is bonded to one Li(1), one Li(12), one Li(2), one Li(6), one Li(7), and one V(2) atom to form OLi5V octahedra that share corners with three equivalent O(7)Li4V2 octahedra,  an edgeedge with one O(10)Li4V2 octahedra,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one F(2)Li4V2 octahedra,  an edgeedge with one F(3)Li4V2 octahedra, edges with two equivalent O(8)Li4V2 octahedra, edges with two equivalent O(9)Li5V octahedra, and edges with two equivalent F(1)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 3-20°. In the third O site, O(3) is bonded to one Li(10), one Li(2), one Li(5), one Li(7), one V(1), and one V(3) atom to form OLi4V2 octahedra that share corners with three equivalent O(8)Li4V2 octahedra, corners with three equivalent O(1)Li5V octahedra,  an edgeedge with one O(5)Li4V2 octahedra,  an edgeedge with one O(6)Li4V2 octahedra,  an edgeedge with one O(2)Li5V octahedra,  an edgeedge with one O(9)Li5V octahedra,  an edgeedge with one F(1)Li4V2 octahedra,  an edgeedge with one F(4)Li5V octahedra, edges with two equivalent O(4)Li4V2 octahedra, and edges with two equivalent F(3)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 6-20°. In the fourth O site, O(4) is bonded to one Li(1), one Li(5), one Li(7), one Li(9), one V(1), and one V(3) atom to form OLi4V2 octahedra that share corners with three equivalent O(5)Li4V2 octahedra, corners with three equivalent O(9)Li5V octahedra,  an edgeedge with one O(6)Li4V2 octahedra,  an edgeedge with one O(8)Li4V2 octahedra,  an edgeedge with one O(1)Li5V octahedra,  an edgeedge with one O(2)Li5V octahedra,  an edgeedge with one F(1)Li4V2 octahedra,  an edgeedge with one F(4)Li5V octahedra, edges with two equivalent O(3)Li4V2 octahedra, and edges with two equivalent F(3)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 2-19°. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one Li(5), one Li(9), one V(1), and one V(4) atom to form OLi4V2 octahedra that share corners with three equivalent O(10)Li4V2 octahedra, corners with three equivalent O(4)Li4V2 octahedra,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(7)Li4V2 octahedra,  an edgeedge with one F(2)Li4V2 octahedra,  an edgeedge with one F(3)Li4V2 octahedra, edges with two equivalent O(6)Li4V2 octahedra, edges with two equivalent O(1)Li5V octahedra, and edges with two equivalent F(4)Li5V octahedra. The corner-sharing octahedral tilt angles range from 2-19°. In the sixth O site, O(6) is bonded to one Li(10), one Li(4), one Li(8), one Li(9), one V(1), and one V(4) atom to form OLi4V2 octahedra that share corners with three equivalent O(7)Li4V2 octahedra, corners with three equivalent F(3)Li4V2 octahedra,  an edgeedge with one O(10)Li4V2 octahedra,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one F(2)Li4V2 octahedra, edges with two equivalent O(5)Li4V2 octahedra, edges with two equivalent O(1)Li5V octahedra, and edges with two equivalent F(4)Li5V octahedra. The corner-sharing octahedral tilt angles range from 2-18°. In the seventh O site, O(7) is bonded to one Li(12), one Li(4), one Li(6), one Li(8), one V(2), and one V(4) atom to form OLi4V2 octahedra that share corners with three equivalent O(6)Li4V2 octahedra, corners with three equivalent O(2)Li5V octahedra,  an edgeedge with one O(5)Li4V2 octahedra,  an edgeedge with one O(8)Li4V2 octahedra,  an edgeedge with one O(1)Li5V octahedra,  an edgeedge with one O(9)Li5V octahedra,  an edgeedge with one F(1)Li4V2 octahedra,  an edgeedge with one F(4)Li5V octahedra, edges with two equivalent O(10)Li4V2 octahedra, and edges with two equivalent F(2)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 3-20°. In the eighth O site, O(8) is bonded to one Li(11), one Li(12), one Li(2), one Li(7), one V(2), and one V(3) atom to form OLi4V2 octahedra that share corners with three equivalent O(10)Li4V2 octahedra, corners with three equivalent O(3)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(7)Li4V2 octahedra,  an edgeedge with one F(2)Li4V2 octahedra,  an edgeedge with one F(3)Li4V2 octahedra, edges with two equivalent O(2)Li5V octahedra, edges with two equivalent O(9)Li5V octahedra, and edges with two equivalent F(1)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 5-22°. In the ninth O site, O(9) is bonded to one Li(1), one Li(11), one Li(12), one Li(6), one Li(7), and one V(3) atom to form OLi5V octahedra that share corners with three equivalent O(4)Li4V2 octahedra,  an edgeedge with one O(10)Li4V2 octahedra,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(7)Li4V2 octahedra,  an edgeedge with one F(2)Li4V2 octahedra,  an edgeedge with one F(3)Li4V2 octahedra, edges with two equivalent O(8)Li4V2 octahedra, edges with two equivalent O(2)Li5V octahedra, and edges with two equivalent F(1)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 2-19°. In the tenth O site, O(10) is bonded to one Li(11), one Li(12), one Li(3), one Li(4), one V(2), and one V(4) atom to form OLi4V2 octahedra that share corners with three equivalent O(5)Li4V2 octahedra, corners with three equivalent O(8)Li4V2 octahedra,  an edgeedge with one O(6)Li4V2 octahedra,  an edgeedge with one O(1)Li5V octahedra,  an edgeedge with one O(2)Li5V octahedra,  an edgeedge with one O(9)Li5V octahedra,  an edgeedge with one F(1)Li4V2 octahedra,  an edgeedge with one F(4)Li5V octahedra, edges with two equivalent O(7)Li4V2 octahedra, and edges with two equivalent F(2)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 5-22°. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(11), one Li(2), one Li(6), one V(2), and one V(3) atom to form FLi4V2 octahedra that share corners with three equivalent F(2)Li4V2 octahedra, corners with three equivalent F(3)Li4V2 octahedra,  an edgeedge with one O(10)Li4V2 octahedra,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(7)Li4V2 octahedra, edges with two equivalent O(8)Li4V2 octahedra, edges with two equivalent O(2)Li5V octahedra, and edges with two equivalent O(9)Li5V octahedra. The corner-sharing octahedral tilt angles range from 4-24°. In the second F site, F(2) is bonded to one Li(11), one Li(3), one Li(6), one Li(8), one V(2), and one V(4) atom to form FLi4V2 octahedra that share corners with three equivalent F(1)Li4V2 octahedra, corners with three equivalent F(4)Li5V octahedra,  an edgeedge with one O(5)Li4V2 octahedra,  an edgeedge with one O(6)Li4V2 octahedra,  an edgeedge with one O(8)Li4V2 octahedra,  an edgeedge with one O(1)Li5V octahedra,  an edgeedge with one O(2)Li5V octahedra,  an edgeedge with one O(9)Li5V octahedra, edges with two equivalent O(10)Li4V2 octahedra, and edges with two equivalent O(7)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 1-22°. In the third F site, F(3) is bonded to one Li(1), one Li(10), one Li(2), one Li(9), one V(1), and one V(3) atom to form FLi4V2 octahedra that share corners with three equivalent O(6)Li4V2 octahedra, corners with three equivalent F(1)Li4V2 octahedra,  an edgeedge with one O(5)Li4V2 octahedra,  an edgeedge with one O(8)Li4V2 octahedra,  an edgeedge with one O(1)Li5V octahedra,  an edgeedge with one O(2)Li5V octahedra,  an edgeedge with one O(9)Li5V octahedra,  an edgeedge with one F(4)Li5V octahedra, edges with two equivalent O(3)Li4V2 octahedra, and edges with two equivalent O(4)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 2-24°. In the fourth F site, F(4) is bonded to one Li(10), one Li(3), one Li(5), one Li(8), one Li(9), and one V(4) atom to form FLi5V octahedra that share corners with three equivalent F(2)Li4V2 octahedra,  an edgeedge with one O(10)Li4V2 octahedra,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(7)Li4V2 octahedra,  an edgeedge with one F(3)Li4V2 octahedra, edges with two equivalent O(5)Li4V2 octahedra, edges with two equivalent O(6)Li4V2 octahedra, and edges with two equivalent O(1)Li5V octahedra. The corner-sharing octahedral tilt angles range from 1-19°.
Li6V2O5F2 crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), one O(9), one F(1), and one F(3) atom to form LiO3F2 square pyramids that share  a cornercorner with one Li(10)O3F2 square pyramid,  a cornercorner with one Li(2)O3F2 square pyramid,  a cornercorner with one Li(5)O4F square pyramid,  a cornercorner with one Li(7)O5 square pyramid, corners with two equivalent Li(9)O3F2 square pyramids, corners with three equivalent Li(6)O3F2 trigonal bipyramids,  an edgeedge with one V(2)O4F2 octahedra,  an edgeedge with one V(1)O5F octahedra, edges with two equivalent V(3)O4F2 octahedra,  an edgeedge with one Li(11)O3F2 square pyramid,  an edgeedge with one Li(2)O3F2 square pyramid,  an edgeedge with one Li(12)O5 square pyramid, and  an edgeedge with one Li(7)O5 square pyramid. The Li(1)-O(2) bond length is 1.98 Å. The Li(1)-O(4) bond length is 2.10 Å. The Li(1)-O(9) bond length is 1.98 Å. The Li(1)-F(1) bond length is 2.14 Å. The Li(1)-F(3) bond length is 2.17 Å. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(8), one F(1), and one F(3) atom to form distorted LiO3F2 square pyramids that share corners with three equivalent V(2)O4F2 octahedra,  a cornercorner with one Li(1)O3F2 square pyramid,  a cornercorner with one Li(9)O3F2 square pyramid,  a cornercorner with one Li(5)O4F square pyramid,  a cornercorner with one Li(7)O5 square pyramid, corners with two equivalent Li(10)O3F2 square pyramids,  an edgeedge with one V(1)O5F octahedra, edges with two equivalent V(3)O4F2 octahedra,  an edgeedge with one Li(1)O3F2 square pyramid,  an edgeedge with one Li(11)O3F2 square pyramid,  an edgeedge with one Li(12)O5 square pyramid,  an edgeedge with one Li(7)O5 square pyramid, and  an edgeedge with one Li(6)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 7-12°. The Li(2)-O(2) bond length is 1.93 Å. The Li(2)-O(3) bond length is 2.29 Å. The Li(2)-O(8) bond length is 2.10 Å. The Li(2)-F(1) bond length is 2.02 Å. The Li(2)-F(3) bond length is 2.06 Å. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(5), one F(2), and one F(4) atom to form LiO3F2 square pyramids that share  a cornercorner with one Li(8)O3F2 square pyramid,  a cornercorner with one Li(12)O5 square pyramid,  a cornercorner with one Li(4)O5 square pyramid, corners with two equivalent Li(11)O3F2 square pyramids, corners with three equivalent Li(5)O4F square pyramids,  a cornercorner with one Li(6)O3F2 trigonal bipyramid,  an edgeedge with one V(2)O4F2 octahedra,  an edgeedge with one V(1)O5F octahedra, edges with two equivalent V(4)O4F2 octahedra,  an edgeedge with one Li(10)O3F2 square pyramid,  an edgeedge with one Li(8)O3F2 square pyramid,  an edgeedge with one Li(9)O3F2 square pyramid, and  an edgeedge with one Li(4)O5 square pyramid. The Li(3)-O(1) bond length is 1.92 Å. The Li(3)-O(10) bond length is 2.24 Å. The Li(3)-O(5) bond length is 2.06 Å. The Li(3)-F(2) bond length is 2.15 Å. The Li(3)-F(4) bond length is 1.97 Å. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(5), one O(6), and one O(7) atom to form LiO5 square pyramids that share corners with three equivalent V(1)O5F octahedra,  a cornercorner with one Li(11)O3F2 square pyramid,  a cornercorner with one Li(3)O3F2 square pyramid,  a cornercorner with one Li(8)O3F2 square pyramid, corners with two equivalent Li(12)O5 square pyramids,  a cornercorner with one Li(6)O3F2 trigonal bipyramid,  an edgeedge with one V(2)O4F2 octahedra, edges with two equivalent V(4)O4F2 octahedra,  an edgeedge with one Li(10)O3F2 square pyramid,  an edgeedge with one Li(3)O3F2 square pyramid,  an edgeedge with one Li(8)O3F2 square pyramid,  an edgeedge with one Li(9)O3F2 square pyramid, and  an edgeedge with one Li(5)O4F square pyramid. The corner-sharing octahedral tilt angles range from 9-13°. The Li(4)-O(1) bond length is 2.02 Å. The Li(4)-O(10) bond length is 2.14 Å. The Li(4)-O(5) bond length is 2.06 Å. The Li(4)-O(6) bond length is 2.05 Å. The Li(4)-O(7) bond length is 2.15 Å. In the fifth Li site, Li(5) is bonded to one O(1), one O(3), one O(4), one O(5), and one F(4) atom to form LiO4F square pyramids that share  a cornercorner with one Li(1)O3F2 square pyramid,  a cornercorner with one Li(10)O3F2 square pyramid,  a cornercorner with one Li(2)O3F2 square pyramid,  a cornercorner with one Li(9)O3F2 square pyramid, corners with two equivalent Li(7)O5 square pyramids, corners with three equivalent Li(3)O3F2 square pyramids,  an edgeedge with one V(3)O4F2 octahedra,  an edgeedge with one V(4)O4F2 octahedra, edges with two equivalent V(1)O5F octahedra,  an edgeedge with one Li(10)O3F2 square pyramid,  an edgeedge with one Li(8)O3F2 square pyramid,  an edgeedge with one Li(9)O3F2 square pyramid, and  an edgeedge with one Li(4)O5 square pyramid. The Li(5)-O(1) bond length is 1.97 Å. The Li(5)-O(3) bond length is 2.02 Å. The Li(5)-O(4) bond length is 2.12 Å. The Li(5)-O(5) bond length is 2.16 Å. The Li(5)-F(4) bond length is 2.11 Å. In the sixth Li site, Li(6) is bonded to one O(2), one O(7), one O(9), one F(1), and one F(2) atom to form LiO3F2 trigonal bipyramids that share  a cornercorner with one Li(11)O3F2 square pyramid,  a cornercorner with one Li(3)O3F2 square pyramid,  a cornercorner with one Li(12)O5 square pyramid,  a cornercorner with one Li(4)O5 square pyramid, corners with two equivalent Li(8)O3F2 square pyramids, corners with three equivalent Li(1)O3F2 square pyramids,  an edgeedge with one V(3)O4F2 octahedra,  an edgeedge with one V(4)O4F2 octahedra, edges with two equivalent V(2)O4F2 octahedra,  an edgeedge with one Li(11)O3F2 square pyramid,  an edgeedge with one Li(2)O3F2 square pyramid,  an edgeedge with one Li(12)O5 square pyramid, and  an edgeedge with one Li(7)O5 square pyramid. The Li(6)-O(2) bond length is 1.98 Å. The Li(6)-O(7) bond length is 2.12 Å. The Li(6)-O(9) bond length is 1.98 Å. The Li(6)-F(1) bond length is 2.12 Å. The Li(6)-F(2) bond length is 2.17 Å. In the seventh Li site, Li(7) is bonded to one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form LiO5 square pyramids that share  a cornercorner with one Li(1)O3F2 square pyramid,  a cornercorner with one Li(10)O3F2 square pyramid,  a cornercorner with one Li(2)O3F2 square pyramid,  a cornercorner with one Li(9)O3F2 square pyramid, corners with two equivalent Li(5)O4F square pyramids, corners with three equivalent Li(12)O5 square pyramids,  an edgeedge with one V(2)O4F2 octahedra,  an edgeedge with one V(1)O5F octahedra, edges with two equivalent V(3)O4F2 octahedra,  an edgeedge with one Li(1)O3F2 square pyramid,  an edgeedge with one Li(11)O3F2 square pyramid,  an edgeedge with one Li(2)O3F2 square pyramid, and  an edgeedge with one Li(6)O3F2 trigonal bipyramid. The Li(7)-O(2) bond length is 2.01 Å. The Li(7)-O(3) bond length is 2.17 Å. The Li(7)-O(4) bond length is 2.08 Å. The Li(7)-O(8) bond length is 2.11 Å. The Li(7)-O(9) bond length is 1.99 Å. In the eighth Li site, Li(8) is bonded to one O(1), one O(6), one O(7), one F(2), and one F(4) atom to form LiO3F2 square pyramids that share  a cornercorner with one Li(11)O3F2 square pyramid,  a cornercorner with one Li(3)O3F2 square pyramid,  a cornercorner with one Li(12)O5 square pyramid,  a cornercorner with one Li(4)O5 square pyramid, corners with three equivalent Li(10)O3F2 square pyramids, corners with two equivalent Li(6)O3F2 trigonal bipyramids,  an edgeedge with one V(2)O4F2 octahedra,  an edgeedge with one V(1)O5F octahedra, edges with two equivalent V(4)O4F2 octahedra,  an edgeedge with one Li(3)O3F2 square pyramid,  an edgeedge with one Li(9)O3F2 square pyramid,  an edgeedge with one Li(5)O4F square pyramid, and  an edgeedge with one Li(4)O5 square pyramid. The Li(8)-O(1) bond length is 1.96 Å. The Li(8)-O(6) bond length is 2.12 Å. The Li(8)-O(7) bond length is 2.14 Å. The Li(8)-F(2) bond length is 2.08 Å. The Li(8)-F(4) bond length is 1.98 Å. In the ninth Li site, Li(9) is bonded to one O(4), one O(5), one O(6), one F(3), and one F(4) atom to form LiO3F2 square pyramids that share corners with three equivalent V(4)O4F2 octahedra,  a cornercorner with one Li(10)O3F2 square pyramid,  a cornercorner with one Li(2)O3F2 square pyramid,  a cornercorner with one Li(5)O4F square pyramid,  a cornercorner with one Li(7)O5 square pyramid, corners with two equivalent Li(1)O3F2 square pyramids,  an edgeedge with one V(3)O4F2 octahedra, edges with two equivalent V(1)O5F octahedra,  an edgeedge with one Li(10)O3F2 square pyramid,  an edgeedge with one Li(3)O3F2 square pyramid,  an edgeedge with one Li(8)O3F2 square pyramid,  an edgeedge with one Li(5)O4F square pyramid, and  an edgeedge with one Li(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 1-9°. The Li(9)-O(4) bond length is 2.24 Å. The Li(9)-O(5) bond length is 2.06 Å. The Li(9)-O(6) bond length is 1.99 Å. The Li(9)-F(3) bond length is 2.16 Å. The Li(9)-F(4) bond length is 1.98 Å. In the tenth Li site, Li(10) is bonded to one O(1), one O(3), one O(6), one F(3), and one F(4) atom to form LiO3F2 square pyramids that share  a cornercorner with one Li(1)O3F2 square pyramid,  a cornercorner with one Li(9)O3F2 square pyramid,  a cornercorner with one Li(5)O4F square pyramid,  a cornercorner with one Li(7)O5 square pyramid, corners with two equivalent Li(2)O3F2 square pyramids, corners with three equivalent Li(8)O3F2 square pyramids,  an edgeedge with one V(3)O4F2 octahedra,  an edgeedge with one V(4)O4F2 octahedra, edges with two equivalent V(1)O5F octahedra,  an edgeedge with one Li(3)O3F2 square pyramid,  an edgeedge with one Li(9)O3F2 square pyramid,  an edgeedge with one Li(5)O4F square pyramid, and  an edgeedge with one Li(4)O5 square pyramid. The Li(10)-O(1) bond length is 1.96 Å. The Li(10)-O(3) bond length is 2.10 Å. The Li(10)-O(6) bond length is 2.03 Å. The Li(10)-F(3) bond length is 2.37 Å. The Li(10)-F(4) bond length is 2.05 Å. In the eleventh Li site, Li(11) is bonded to one O(10), one O(8), one O(9), one F(1), and one F(2) atom to form distorted LiO3F2 square pyramids that share corners with three equivalent V(3)O4F2 octahedra,  a cornercorner with one Li(8)O3F2 square pyramid,  a cornercorner with one Li(12)O5 square pyramid,  a cornercorner with one Li(4)O5 square pyramid, corners with two equivalent Li(3)O3F2 square pyramids,  a cornercorner with one Li(6)O3F2 trigonal bipyramid,  an edgeedge with one V(4)O4F2 octahedra, edges with two equivalent V(2)O4F2 octahedra,  an edgeedge with one Li(1)O3F2 square pyramid,  an edgeedge with one Li(2)O3F2 square pyramid,  an edgeedge with one Li(12)O5 square pyramid,  an edgeedge with one Li(7)O5 square pyramid, and  an edgeedge with one Li(6)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 6-16°. The Li(11)-O(10) bond length is 2.24 Å. The Li(11)-O(8) bond length is 2.08 Å. The Li(11)-O(9) bond length is 1.92 Å. The Li(11)-F(1) bond length is 2.01 Å. The Li(11)-F(2) bond length is 2.18 Å. In the twelfth Li site, Li(12) is bonded to one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form LiO5 square pyramids that share  a cornercorner with one Li(11)O3F2 square pyramid,  a cornercorner with one Li(3)O3F2 square pyramid,  a cornercorner with one Li(8)O3F2 square pyramid, corners with two equivalent Li(4)O5 square pyramids, corners with three equivalent Li(7)O5 square pyramids,  a cornercorner with one Li(6)O3F2 trigonal bipyramid,  an edgeedge with one V(3)O4F2 octahedra,  an edgeedge with one V(4)O4F2 octahedra, edges with two equivalent V(2)O4F2 octahedra,  an edgeedge with one Li(1)O3F2 square pyramid,  an edgeedge with one Li(11)O3F2 square pyramid,  an edgeedge with one Li(2)O3F2 square pyramid, and  an edgeedge with one Li(6)O3F2 trigonal bipyramid. The Li(12)-O(10) bond length is 2.17 Å. The Li(12)-O(2) bond length is 1.99 Å. The Li(12)-O(7) bond length is 2.10 Å. The Li(12)-O(8) bond length is 2.08 Å. The Li(12)-O(9) bond length is 2.00 Å. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one F(3) atom to form VO5F octahedra that share corners with three equivalent V(3)O4F2 octahedra, corners with three equivalent Li(4)O5 square pyramids,  an edgeedge with one V(4)O4F2 octahedra,  an edgeedge with one Li(1)O3F2 square pyramid,  an edgeedge with one Li(2)O3F2 square pyramid,  an edgeedge with one Li(3)O3F2 square pyramid,  an edgeedge with one Li(8)O3F2 square pyramid,  an edgeedge with one Li(7)O5 square pyramid, edges with two equivalent Li(10)O3F2 square pyramids, edges with two equivalent Li(9)O3F2 square pyramids, and edges with two equivalent Li(5)O4F square pyramids. The corner-sharing octahedral tilt angles range from 5-11°. The V(1)-O(1) bond length is 1.98 Å. The V(1)-O(3) bond length is 2.07 Å. The V(1)-O(4) bond length is 2.05 Å. The V(1)-O(5) bond length is 2.07 Å. The V(1)-O(6) bond length is 2.02 Å. The V(1)-F(3) bond length is 2.15 Å. In the second V site, V(2) is bonded to one O(10), one O(2), one O(7), one O(8), one F(1), and one F(2) atom to form VO4F2 octahedra that share corners with three equivalent V(4)O4F2 octahedra, corners with three equivalent Li(2)O3F2 square pyramids,  an edgeedge with one V(3)O4F2 octahedra,  an edgeedge with one Li(1)O3F2 square pyramid,  an edgeedge with one Li(3)O3F2 square pyramid,  an edgeedge with one Li(8)O3F2 square pyramid,  an edgeedge with one Li(4)O5 square pyramid,  an edgeedge with one Li(7)O5 square pyramid, edges with two equivalent Li(11)O3F2 square pyramids, edges with two equivalent Li(12)O5 square pyramids, and edges with two equivalent Li(6)O3F2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 1-5°. The V(2)-O(10) bond length is 2.03 Å. The V(2)-O(2) bond length is 1.94 Å. The V(2)-O(7) bond length is 2.09 Å. The V(2)-O(8) bond length is 2.03 Å. The V(2)-F(1) bond length is 2.16 Å. The V(2)-F(2) bond length is 2.09 Å. In the third V site, V(3) is bonded to one O(3), one O(4), one O(8), one O(9), one F(1), and one F(3) atom to form VO4F2 octahedra that share corners with three equivalent V(1)O5F octahedra, corners with three equivalent Li(11)O3F2 square pyramids,  an edgeedge with one V(2)O4F2 octahedra,  an edgeedge with one Li(10)O3F2 square pyramid,  an edgeedge with one Li(9)O3F2 square pyramid,  an edgeedge with one Li(5)O4F square pyramid,  an edgeedge with one Li(12)O5 square pyramid, edges with two equivalent Li(1)O3F2 square pyramids, edges with two equivalent Li(2)O3F2 square pyramids, edges with two equivalent Li(7)O5 square pyramids, and  an edgeedge with one Li(6)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 5-11°. The V(3)-O(3) bond length is 2.03 Å. The V(3)-O(4) bond length is 2.03 Å. The V(3)-O(8) bond length is 2.06 Å. The V(3)-O(9) bond length is 1.96 Å. The V(3)-F(1) bond length is 2.16 Å. The V(3)-F(3) bond length is 2.08 Å. In the fourth V site, V(4) is bonded to one O(10), one O(5), one O(6), one O(7), one F(2), and one F(4) atom to form VO4F2 octahedra that share corners with three equivalent V(2)O4F2 octahedra, corners with three equivalent Li(9)O3F2 square pyramids,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one Li(10)O3F2 square pyramid,  an edgeedge with one Li(11)O3F2 square pyramid,  an edgeedge with one Li(5)O4F square pyramid,  an edgeedge with one Li(12)O5 square pyramid, edges with two equivalent Li(3)O3F2 square pyramids, edges with two equivalent Li(8)O3F2 square pyramids, edges with two equivalent Li(4)O5 square pyramids, and  an edgeedge with one Li(6)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 1-5°. The V(4)-O(10) bond length is 2.00 Å. The V(4)-O(5) bond length is 2.03 Å. The V(4)-O(6) bond length is 2.04 Å. The V(4)-O(7) bond length is 2.02 Å. The V(4)-F(2) bond length is 2.10 Å. The V(4)-F(4) bond length is 2.10 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(10), one Li(3), one Li(4), one Li(5), one Li(8), and one V(1) atom to form OLi5V octahedra that share corners with three equivalent O(3)Li4V2 octahedra,  an edgeedge with one O(10)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(7)Li4V2 octahedra,  an edgeedge with one F(2)Li4V2 octahedra,  an edgeedge with one F(3)Li4V2 octahedra, edges with two equivalent O(5)Li4V2 octahedra, edges with two equivalent O(6)Li4V2 octahedra, and edges with two equivalent F(4)Li5V octahedra. The corner-sharing octahedral tilt angles range from 8-14°. In the second O site, O(2) is bonded to one Li(1), one Li(12), one Li(2), one Li(6), one Li(7), and one V(2) atom to form OLi5V octahedra that share corners with three equivalent O(7)Li4V2 octahedra,  an edgeedge with one O(10)Li4V2 octahedra,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one F(2)Li4V2 octahedra,  an edgeedge with one F(3)Li4V2 octahedra, edges with two equivalent O(8)Li4V2 octahedra, edges with two equivalent O(9)Li5V octahedra, and edges with two equivalent F(1)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 3-20°. In the third O site, O(3) is bonded to one Li(10), one Li(2), one Li(5), one Li(7), one V(1), and one V(3) atom to form OLi4V2 octahedra that share corners with three equivalent O(8)Li4V2 octahedra, corners with three equivalent O(1)Li5V octahedra,  an edgeedge with one O(5)Li4V2 octahedra,  an edgeedge with one O(6)Li4V2 octahedra,  an edgeedge with one O(2)Li5V octahedra,  an edgeedge with one O(9)Li5V octahedra,  an edgeedge with one F(1)Li4V2 octahedra,  an edgeedge with one F(4)Li5V octahedra, edges with two equivalent O(4)Li4V2 octahedra, and edges with two equivalent F(3)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 6-20°. In the fourth O site, O(4) is bonded to one Li(1), one Li(5), one Li(7), one Li(9), one V(1), and one V(3) atom to form OLi4V2 octahedra that share corners with three equivalent O(5)Li4V2 octahedra, corners with three equivalent O(9)Li5V octahedra,  an edgeedge with one O(6)Li4V2 octahedra,  an edgeedge with one O(8)Li4V2 octahedra,  an edgeedge with one O(1)Li5V octahedra,  an edgeedge with one O(2)Li5V octahedra,  an edgeedge with one F(1)Li4V2 octahedra,  an edgeedge with one F(4)Li5V octahedra, edges with two equivalent O(3)Li4V2 octahedra, and edges with two equivalent F(3)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 2-19°. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one Li(5), one Li(9), one V(1), and one V(4) atom to form OLi4V2 octahedra that share corners with three equivalent O(10)Li4V2 octahedra, corners with three equivalent O(4)Li4V2 octahedra,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(7)Li4V2 octahedra,  an edgeedge with one F(2)Li4V2 octahedra,  an edgeedge with one F(3)Li4V2 octahedra, edges with two equivalent O(6)Li4V2 octahedra, edges with two equivalent O(1)Li5V octahedra, and edges with two equivalent F(4)Li5V octahedra. The corner-sharing octahedral tilt angles range from 2-19°. In the sixth O site, O(6) is bonded to one Li(10), one Li(4), one Li(8), one Li(9), one V(1), and one V(4) atom to form OLi4V2 octahedra that share corners with three equivalent O(7)Li4V2 octahedra, corners with three equivalent F(3)Li4V2 octahedra,  an edgeedge with one O(10)Li4V2 octahedra,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one F(2)Li4V2 octahedra, edges with two equivalent O(5)Li4V2 octahedra, edges with two equivalent O(1)Li5V octahedra, and edges with two equivalent F(4)Li5V octahedra. The corner-sharing octahedral tilt angles range from 2-18°. In the seventh O site, O(7) is bonded to one Li(12), one Li(4), one Li(6), one Li(8), one V(2), and one V(4) atom to form OLi4V2 octahedra that share corners with three equivalent O(6)Li4V2 octahedra, corners with three equivalent O(2)Li5V octahedra,  an edgeedge with one O(5)Li4V2 octahedra,  an edgeedge with one O(8)Li4V2 octahedra,  an edgeedge with one O(1)Li5V octahedra,  an edgeedge with one O(9)Li5V octahedra,  an edgeedge with one F(1)Li4V2 octahedra,  an edgeedge with one F(4)Li5V octahedra, edges with two equivalent O(10)Li4V2 octahedra, and edges with two equivalent F(2)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 3-20°. In the eighth O site, O(8) is bonded to one Li(11), one Li(12), one Li(2), one Li(7), one V(2), and one V(3) atom to form OLi4V2 octahedra that share corners with three equivalent O(10)Li4V2 octahedra, corners with three equivalent O(3)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(7)Li4V2 octahedra,  an edgeedge with one F(2)Li4V2 octahedra,  an edgeedge with one F(3)Li4V2 octahedra, edges with two equivalent O(2)Li5V octahedra, edges with two equivalent O(9)Li5V octahedra, and edges with two equivalent F(1)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 5-22°. In the ninth O site, O(9) is bonded to one Li(1), one Li(11), one Li(12), one Li(6), one Li(7), and one V(3) atom to form OLi5V octahedra that share corners with three equivalent O(4)Li4V2 octahedra,  an edgeedge with one O(10)Li4V2 octahedra,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(7)Li4V2 octahedra,  an edgeedge with one F(2)Li4V2 octahedra,  an edgeedge with one F(3)Li4V2 octahedra, edges with two equivalent O(8)Li4V2 octahedra, edges with two equivalent O(2)Li5V octahedra, and edges with two equivalent F(1)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 2-19°. In the tenth O site, O(10) is bonded to one Li(11), one Li(12), one Li(3), one Li(4), one V(2), and one V(4) atom to form OLi4V2 octahedra that share corners with three equivalent O(5)Li4V2 octahedra, corners with three equivalent O(8)Li4V2 octahedra,  an edgeedge with one O(6)Li4V2 octahedra,  an edgeedge with one O(1)Li5V octahedra,  an edgeedge with one O(2)Li5V octahedra,  an edgeedge with one O(9)Li5V octahedra,  an edgeedge with one F(1)Li4V2 octahedra,  an edgeedge with one F(4)Li5V octahedra, edges with two equivalent O(7)Li4V2 octahedra, and edges with two equivalent F(2)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 5-22°. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(11), one Li(2), one Li(6), one V(2), and one V(3) atom to form FLi4V2 octahedra that share corners with three equivalent F(2)Li4V2 octahedra, corners with three equivalent F(3)Li4V2 octahedra,  an edgeedge with one O(10)Li4V2 octahedra,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(7)Li4V2 octahedra, edges with two equivalent O(8)Li4V2 octahedra, edges with two equivalent O(2)Li5V octahedra, and edges with two equivalent O(9)Li5V octahedra. The corner-sharing octahedral tilt angles range from 4-24°. In the second F site, F(2) is bonded to one Li(11), one Li(3), one Li(6), one Li(8), one V(2), and one V(4) atom to form FLi4V2 octahedra that share corners with three equivalent F(1)Li4V2 octahedra, corners with three equivalent F(4)Li5V octahedra,  an edgeedge with one O(5)Li4V2 octahedra,  an edgeedge with one O(6)Li4V2 octahedra,  an edgeedge with one O(8)Li4V2 octahedra,  an edgeedge with one O(1)Li5V octahedra,  an edgeedge with one O(2)Li5V octahedra,  an edgeedge with one O(9)Li5V octahedra, edges with two equivalent O(10)Li4V2 octahedra, and edges with two equivalent O(7)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 1-22°. In the third F site, F(3) is bonded to one Li(1), one Li(10), one Li(2), one Li(9), one V(1), and one V(3) atom to form FLi4V2 octahedra that share corners with three equivalent O(6)Li4V2 octahedra, corners with three equivalent F(1)Li4V2 octahedra,  an edgeedge with one O(5)Li4V2 octahedra,  an edgeedge with one O(8)Li4V2 octahedra,  an edgeedge with one O(1)Li5V octahedra,  an edgeedge with one O(2)Li5V octahedra,  an edgeedge with one O(9)Li5V octahedra,  an edgeedge with one F(4)Li5V octahedra, edges with two equivalent O(3)Li4V2 octahedra, and edges with two equivalent O(4)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 2-24°. In the fourth F site, F(4) is bonded to one Li(10), one Li(3), one Li(5), one Li(8), one Li(9), and one V(4) atom to form FLi5V octahedra that share corners with three equivalent F(2)Li4V2 octahedra,  an edgeedge with one O(10)Li4V2 octahedra,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(7)Li4V2 octahedra,  an edgeedge with one F(3)Li4V2 octahedra, edges with two equivalent O(5)Li4V2 octahedra, edges with two equivalent O(6)Li4V2 octahedra, and edges with two equivalent O(1)Li5V octahedra. The corner-sharing octahedral tilt angles range from 1-19°.