Li6VFe5O12 is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded to one O(12), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and  a faceface with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-55°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(11), one O(7), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with three equivalent Li(5)O6 octahedra, edges with three equivalent Li(6)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-55°. In the fourth Li site, Li(4) is bonded to one O(12), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-55°. In the fifth Li site, Li(5) is bonded to one O(1), one O(10), one O(11), one O(7), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, edges with three equivalent Li(6)O6 octahedra, and  a faceface with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-55°. In the sixth Li site, Li(6) is bonded to one O(1), one O(10), one O(11), one O(7), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, edges with three equivalent Li(5)O6 octahedra, and  a faceface with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-54°. V(1) is bonded to one O(11), one O(2), 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(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(4), and one O(9) atom to form FeO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(6)O6 octahedra, edges with three equivalent Fe(4)O6 octahedra, edges with three equivalent Fe(5)O6 octahedra,  a faceface with one Li(3)O6 octahedra, and  a faceface with one Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-54°. In the second Fe site, Fe(2) is bonded to one O(11), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the third Fe site, Fe(3) is bonded to one O(11), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(10), one O(12), one O(3), one O(4), and one O(9) atom to form FeO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Li(6)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, edges with three equivalent Fe(5)O6 octahedra,  a faceface with one Li(2)O6 octahedra, and  a faceface with one Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-54°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(10), one O(12), one O(3), one O(4), and one O(9) atom to form FeO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Li(5)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, edges with three equivalent Fe(4)O6 octahedra, and  a faceface with one Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(3), one Li(5), one Li(6), one Fe(1), one Fe(4), and one Fe(5) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(4), one V(1), one Fe(2), and one Fe(3) atom to form a mixture of edge and corner-sharing OLi3VFe2 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(4), one Fe(1), one Fe(4), and one Fe(5) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(4), one Fe(1), one Fe(4), and one Fe(5) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(4), one V(1), one Fe(2), and one Fe(3) atom to form a mixture of edge and corner-sharing OLi3VFe2 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(4), one V(1), one Fe(2), and one Fe(3) atom to form a mixture of edge and corner-sharing OLi3VFe2 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the seventh O site, O(7) is bonded to one Li(3), one Li(5), one Li(6), one V(1), one Fe(2), and one Fe(3) atom to form a mixture of edge and corner-sharing OLi3VFe2 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the eighth O site, O(8) is bonded to one Li(3), one Li(5), one Li(6), one V(1), one Fe(2), and one Fe(3) atom to form a mixture of edge and corner-sharing OLi3VFe2 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Li(3), one Li(5), one Li(6), one Fe(1), one Fe(4), and one Fe(5) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Li(3), one Li(5), one Li(6), one Fe(1), one Fe(4), and one Fe(5) atom. In the eleventh O site, O(11) is bonded to one Li(3), one Li(5), one Li(6), one V(1), one Fe(2), and one Fe(3) atom to form a mixture of edge and corner-sharing OLi3VFe2 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(4), one Fe(1), one Fe(4), and one Fe(5) atom.
Li6VFe5O12 is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Li(1)-O(12) bond length is 2.46 Å. The Li(1)-O(2) bond length is 2.01 Å. The Li(1)-O(3) bond length is 2.12 Å. The Li(1)-O(4) bond length is 2.46 Å. The Li(1)-O(5) bond length is 2.08 Å. The Li(1)-O(6) bond length is 2.08 Å. In the second Li site, Li(2) is bonded to one O(12), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and  a faceface with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-55°. The Li(2)-O(12) bond length is 2.32 Å. The Li(2)-O(2) bond length is 2.04 Å. The Li(2)-O(3) bond length is 2.28 Å. The Li(2)-O(4) bond length is 2.04 Å. The Li(2)-O(5) bond length is 2.09 Å. The Li(2)-O(6) bond length is 2.10 Å. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(11), one O(7), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with three equivalent Li(5)O6 octahedra, edges with three equivalent Li(6)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-55°. The Li(3)-O(1) bond length is 2.04 Å. The Li(3)-O(10) bond length is 2.32 Å. The Li(3)-O(11) bond length is 2.17 Å. The Li(3)-O(7) bond length is 2.03 Å. The Li(3)-O(8) bond length is 2.05 Å. The Li(3)-O(9) bond length is 2.26 Å. In the fourth Li site, Li(4) is bonded to one O(12), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-55°. The Li(4)-O(12) bond length is 2.03 Å. The Li(4)-O(2) bond length is 2.21 Å. The Li(4)-O(3) bond length is 2.25 Å. The Li(4)-O(4) bond length is 2.27 Å. The Li(4)-O(5) bond length is 2.04 Å. The Li(4)-O(6) bond length is 2.04 Å. In the fifth Li site, Li(5) is bonded to one O(1), one O(10), one O(11), one O(7), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, edges with three equivalent Li(6)O6 octahedra, and  a faceface with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-55°. The Li(5)-O(1) bond length is 2.32 Å. The Li(5)-O(10) bond length is 2.03 Å. The Li(5)-O(11) bond length is 2.03 Å. The Li(5)-O(7) bond length is 2.10 Å. The Li(5)-O(8) bond length is 2.12 Å. The Li(5)-O(9) bond length is 2.26 Å. In the sixth Li site, Li(6) is bonded to one O(1), one O(10), one O(11), one O(7), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, edges with three equivalent Li(5)O6 octahedra, and  a faceface with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-54°. The Li(6)-O(1) bond length is 2.45 Å. The Li(6)-O(10) bond length is 2.42 Å. The Li(6)-O(11) bond length is 2.00 Å. The Li(6)-O(7) bond length is 2.09 Å. The Li(6)-O(8) bond length is 2.12 Å. The Li(6)-O(9) bond length is 2.12 Å. V(1) is bonded to one O(11), one O(2), 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(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. The V(1)-O(11) bond length is 1.97 Å. The V(1)-O(2) bond length is 2.03 Å. The V(1)-O(5) bond length is 1.96 Å. The V(1)-O(6) bond length is 1.97 Å. The V(1)-O(7) bond length is 1.98 Å. The V(1)-O(8) bond length is 2.00 Å. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(4), and one O(9) atom to form FeO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(6)O6 octahedra, edges with three equivalent Fe(4)O6 octahedra, edges with three equivalent Fe(5)O6 octahedra,  a faceface with one Li(3)O6 octahedra, and  a faceface with one Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-54°. The Fe(1)-O(1) bond length is 1.94 Å. The Fe(1)-O(10) bond length is 1.95 Å. The Fe(1)-O(12) bond length is 1.95 Å. The Fe(1)-O(3) bond length is 1.95 Å. The Fe(1)-O(4) bond length is 1.95 Å. The Fe(1)-O(9) bond length is 1.95 Å. In the second Fe site, Fe(2) is bonded to one O(11), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. The Fe(2)-O(11) bond length is 2.05 Å. The Fe(2)-O(2) bond length is 2.04 Å. The Fe(2)-O(5) bond length is 2.08 Å. The Fe(2)-O(6) bond length is 2.10 Å. The Fe(2)-O(7) bond length is 2.12 Å. The Fe(2)-O(8) bond length is 2.05 Å. In the third Fe site, Fe(3) is bonded to one O(11), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. The Fe(3)-O(11) bond length is 2.07 Å. The Fe(3)-O(2) bond length is 2.07 Å. The Fe(3)-O(5) bond length is 2.09 Å. The Fe(3)-O(6) bond length is 2.06 Å. The Fe(3)-O(7) bond length is 2.05 Å. The Fe(3)-O(8) bond length is 2.09 Å. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(10), one O(12), one O(3), one O(4), and one O(9) atom to form FeO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Li(6)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, edges with three equivalent Fe(5)O6 octahedra,  a faceface with one Li(2)O6 octahedra, and  a faceface with one Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-54°. The Fe(4)-O(1) bond length is 1.94 Å. The Fe(4)-O(10) bond length is 1.96 Å. The Fe(4)-O(12) bond length is 1.94 Å. The Fe(4)-O(3) bond length is 1.95 Å. The Fe(4)-O(4) bond length is 1.96 Å. The Fe(4)-O(9) bond length is 1.95 Å. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(10), one O(12), one O(3), one O(4), and one O(9) atom to form FeO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Li(5)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, edges with three equivalent Fe(4)O6 octahedra, and  a faceface with one Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. The Fe(5)-O(1) bond length is 2.08 Å. The Fe(5)-O(10) bond length is 2.06 Å. The Fe(5)-O(12) bond length is 2.07 Å. The Fe(5)-O(3) bond length is 2.10 Å. The Fe(5)-O(4) bond length is 2.06 Å. The Fe(5)-O(9) bond length is 2.10 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(3), one Li(5), one Li(6), one Fe(1), one Fe(4), and one Fe(5) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(4), one V(1), one Fe(2), and one Fe(3) atom to form a mixture of edge and corner-sharing OLi3VFe2 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(4), one Fe(1), one Fe(4), and one Fe(5) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(4), one Fe(1), one Fe(4), and one Fe(5) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(4), one V(1), one Fe(2), and one Fe(3) atom to form a mixture of edge and corner-sharing OLi3VFe2 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(4), one V(1), one Fe(2), and one Fe(3) atom to form a mixture of edge and corner-sharing OLi3VFe2 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the seventh O site, O(7) is bonded to one Li(3), one Li(5), one Li(6), one V(1), one Fe(2), and one Fe(3) atom to form a mixture of edge and corner-sharing OLi3VFe2 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the eighth O site, O(8) is bonded to one Li(3), one Li(5), one Li(6), one V(1), one Fe(2), and one Fe(3) atom to form a mixture of edge and corner-sharing OLi3VFe2 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Li(3), one Li(5), one Li(6), one Fe(1), one Fe(4), and one Fe(5) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Li(3), one Li(5), one Li(6), one Fe(1), one Fe(4), and one Fe(5) atom. In the eleventh O site, O(11) is bonded to one Li(3), one Li(5), one Li(6), one V(1), one Fe(2), and one Fe(3) atom to form a mixture of edge and corner-sharing OLi3VFe2 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(4), one Fe(1), one Fe(4), and one Fe(5) atom.