Li2Cr3FeO8 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(12), one O(15), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(5)O6 octahedra,  a cornercorner with one Cr(6)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-19°. In the second Li site, Li(2) is bonded to one O(10), one O(13), one O(14), one O(3), one O(4), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Cr(5)O6 octahedra,  a cornercorner with one Cr(6)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-19°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(11), one O(2), one O(4), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Cr(5)O6 octahedra,  a cornercorner with one Cr(6)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-18°. In the fourth Li site, Li(4) is bonded to one O(14), one O(15), one O(16), one O(5), one O(6), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Cr(5)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-19°. There are six inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(12), one O(15), one O(16), one O(3), and one O(9) atom to form CrO6 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,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-19°. In the second Cr site, Cr(2) is bonded to one O(10), one O(16), one O(2), one O(3), one O(4), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-19°. In the third Cr site, Cr(3) is bonded to one O(10), one O(11), one O(13), one O(4), one O(6), and one O(7) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-19°. In the fourth Cr site, Cr(4) is bonded to one O(1), one O(13), one O(15), one O(2), one O(7), and one O(8) atom to form CrO6 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,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-17°. In the fifth Cr site, Cr(5) is bonded to one O(13), one O(14), one O(16), one O(2), one O(6), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-17°. In the sixth Cr site, Cr(6) is bonded to one O(11), one O(14), one O(15), one O(5), one O(7), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-18°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(11), one O(12), one O(4), one O(5), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(14), one O(3), one O(5), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Cr(1), one Cr(4), and one Fe(1) atom to form OLi2Cr2Fe square pyramids that share  a cornercorner with one O(10)Li2Cr2Fe square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid,  a cornercorner with one O(3)LiCr2Fe trigonal pyramid,  an edgeedge with one O(4)Li2Cr2Fe square pyramid,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(9)Li2Cr3 square pyramid, and edges with two equivalent O(8)Li2Cr2Fe square pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(3), one Cr(2), one Cr(4), and one Cr(5) atom. In the third O site, O(3) is bonded to one Li(2), one Cr(1), one Cr(2), and one Fe(2) atom to form OLiCr2Fe trigonal pyramids that share  a cornercorner with one O(1)Li2Cr2Fe square pyramid,  a cornercorner with one O(10)Li2Cr2Fe square pyramid,  a cornercorner with one O(8)Li2Cr2Fe square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid,  a cornercorner with one O(9)Li2Cr3 square pyramid, corners with two equivalent O(14)Li2Cr2Fe square pyramids,  an edgeedge with one O(10)Li2Cr2Fe square pyramid,  an edgeedge with one O(4)Li2Cr2Fe square pyramid, and  an edgeedge with one O(6)Li2Cr2Fe square pyramid. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Cr(2), one Cr(3), and one Fe(1) atom to form OLi2Cr2Fe square pyramids that share  a cornercorner with one O(14)Li2Cr2Fe square pyramid,  a cornercorner with one O(8)Li2Cr2Fe square pyramid,  an edgeedge with one O(1)Li2Cr2Fe square pyramid,  an edgeedge with one O(6)Li2Cr2Fe square pyramid,  an edgeedge with one O(8)Li2Cr2Fe square pyramid, edges with two equivalent O(10)Li2Cr2Fe square pyramids, and  an edgeedge with one O(3)LiCr2Fe trigonal pyramid. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(4), one Cr(6), one Fe(1), and one Fe(2) atom. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Cr(3), one Cr(5), and one Fe(2) atom to form OLi2Cr2Fe square pyramids that share  a cornercorner with one O(10)Li2Cr2Fe square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(10)Li2Cr2Fe square pyramid,  an edgeedge with one O(4)Li2Cr2Fe square pyramid,  an edgeedge with one O(9)Li2Cr3 square pyramid, edges with two equivalent O(14)Li2Cr2Fe square pyramids, and  an edgeedge with one O(3)LiCr2Fe trigonal pyramid. In the seventh O site, O(7) is bonded in a see-saw-like geometry to one Li(1), one Cr(3), one Cr(4), and one Cr(6) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Cr(2), one Cr(4), and one Fe(1) atom to form OLi2Cr2Fe square pyramids that share  a cornercorner with one O(4)Li2Cr2Fe square pyramid,  a cornercorner with one O(9)Li2Cr3 square pyramid,  a cornercorner with one O(3)LiCr2Fe trigonal pyramid,  an edgeedge with one O(10)Li2Cr2Fe square pyramid,  an edgeedge with one O(4)Li2Cr2Fe square pyramid,  an edgeedge with one O(15)Li2Cr3 square pyramid, and edges with two equivalent O(1)Li2Cr2Fe square pyramids. In the ninth O site, O(9) is bonded to one Li(1), one Li(4), one Cr(1), one Cr(5), and one Cr(6) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(14)Li2Cr2Fe square pyramid,  a cornercorner with one O(8)Li2Cr2Fe square pyramid,  a cornercorner with one O(3)LiCr2Fe trigonal pyramid,  an edgeedge with one O(1)Li2Cr2Fe square pyramid,  an edgeedge with one O(14)Li2Cr2Fe square pyramid,  an edgeedge with one O(6)Li2Cr2Fe square pyramid, and edges with two equivalent O(15)Li2Cr3 square pyramids. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one Cr(2), one Cr(3), and one Fe(2) atom to form OLi2Cr2Fe square pyramids that share  a cornercorner with one O(1)Li2Cr2Fe square pyramid,  a cornercorner with one O(6)Li2Cr2Fe square pyramid,  a cornercorner with one O(3)LiCr2Fe trigonal pyramid,  an edgeedge with one O(14)Li2Cr2Fe square pyramid,  an edgeedge with one O(6)Li2Cr2Fe square pyramid,  an edgeedge with one O(8)Li2Cr2Fe square pyramid, edges with two equivalent O(4)Li2Cr2Fe square pyramids, and  an edgeedge with one O(3)LiCr2Fe trigonal pyramid. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(3), one Cr(3), one Cr(6), and one Fe(1) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(1), one Cr(1), one Fe(1), and one Fe(2) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(3), one Cr(4), and one Cr(5) atom. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(4), one Cr(5), one Cr(6), and one Fe(2) atom to form OLi2Cr2Fe square pyramids that share  a cornercorner with one O(4)Li2Cr2Fe square pyramid,  a cornercorner with one O(9)Li2Cr3 square pyramid, corners with two equivalent O(3)LiCr2Fe trigonal pyramids,  an edgeedge with one O(10)Li2Cr2Fe square pyramid,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(9)Li2Cr3 square pyramid, and edges with two equivalent O(6)Li2Cr2Fe square pyramids. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(4), one Cr(1), one Cr(4), and one Cr(6) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(1)Li2Cr2Fe square pyramid,  a cornercorner with one O(6)Li2Cr2Fe square pyramid,  a cornercorner with one O(3)LiCr2Fe trigonal pyramid,  an edgeedge with one O(1)Li2Cr2Fe square pyramid,  an edgeedge with one O(14)Li2Cr2Fe square pyramid,  an edgeedge with one O(8)Li2Cr2Fe square pyramid, and edges with two equivalent O(9)Li2Cr3 square pyramids. In the sixteenth O site, O(16) is bonded in a see-saw-like geometry to one Li(4), one Cr(1), one Cr(2), and one Cr(5) atom.
Li2Cr3FeO8 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(12), one O(15), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(5)O6 octahedra,  a cornercorner with one Cr(6)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-19°. The Li(1)-O(1) bond length is 2.20 Å. The Li(1)-O(12) bond length is 2.18 Å. The Li(1)-O(15) bond length is 2.16 Å. The Li(1)-O(7) bond length is 2.15 Å. The Li(1)-O(8) bond length is 2.15 Å. The Li(1)-O(9) bond length is 2.17 Å. In the second Li site, Li(2) is bonded to one O(10), one O(13), one O(14), one O(3), one O(4), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Cr(5)O6 octahedra,  a cornercorner with one Cr(6)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-19°. The Li(2)-O(10) bond length is 2.14 Å. The Li(2)-O(13) bond length is 2.15 Å. The Li(2)-O(14) bond length is 2.10 Å. The Li(2)-O(3) bond length is 2.08 Å. The Li(2)-O(4) bond length is 2.25 Å. The Li(2)-O(6) bond length is 2.14 Å. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(11), one O(2), one O(4), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Cr(5)O6 octahedra,  a cornercorner with one Cr(6)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-18°. The Li(3)-O(1) bond length is 2.09 Å. The Li(3)-O(10) bond length is 2.26 Å. The Li(3)-O(11) bond length is 2.07 Å. The Li(3)-O(2) bond length is 2.16 Å. The Li(3)-O(4) bond length is 2.14 Å. The Li(3)-O(8) bond length is 2.14 Å. In the fourth Li site, Li(4) is bonded to one O(14), one O(15), one O(16), one O(5), one O(6), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Cr(5)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-19°. The Li(4)-O(14) bond length is 2.20 Å. The Li(4)-O(15) bond length is 2.16 Å. The Li(4)-O(16) bond length is 2.14 Å. The Li(4)-O(5) bond length is 2.19 Å. The Li(4)-O(6) bond length is 2.15 Å. The Li(4)-O(9) bond length is 2.16 Å. There are six inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(12), one O(15), one O(16), one O(3), and one O(9) atom to form CrO6 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,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-19°. The Cr(1)-O(1) bond length is 1.97 Å. The Cr(1)-O(12) bond length is 1.95 Å. The Cr(1)-O(15) bond length is 1.98 Å. The Cr(1)-O(16) bond length is 1.95 Å. The Cr(1)-O(3) bond length is 1.95 Å. The Cr(1)-O(9) bond length is 2.02 Å. In the second Cr site, Cr(2) is bonded to one O(10), one O(16), one O(2), one O(3), one O(4), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-19°. The Cr(2)-O(10) bond length is 1.96 Å. The Cr(2)-O(16) bond length is 1.92 Å. The Cr(2)-O(2) bond length is 1.94 Å. The Cr(2)-O(3) bond length is 1.95 Å. The Cr(2)-O(4) bond length is 1.97 Å. The Cr(2)-O(8) bond length is 1.99 Å. In the third Cr site, Cr(3) is bonded to one O(10), one O(11), one O(13), one O(4), one O(6), and one O(7) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-19°. The Cr(3)-O(10) bond length is 1.97 Å. The Cr(3)-O(11) bond length is 1.95 Å. The Cr(3)-O(13) bond length is 1.94 Å. The Cr(3)-O(4) bond length is 1.96 Å. The Cr(3)-O(6) bond length is 1.99 Å. The Cr(3)-O(7) bond length is 1.92 Å. In the fourth Cr site, Cr(4) is bonded to one O(1), one O(13), one O(15), one O(2), one O(7), and one O(8) atom to form CrO6 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,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-17°. The Cr(4)-O(1) bond length is 1.98 Å. The Cr(4)-O(13) bond length is 1.94 Å. The Cr(4)-O(15) bond length is 1.97 Å. The Cr(4)-O(2) bond length is 1.94 Å. The Cr(4)-O(7) bond length is 1.94 Å. The Cr(4)-O(8) bond length is 1.97 Å. In the fifth Cr site, Cr(5) is bonded to one O(13), one O(14), one O(16), one O(2), one O(6), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-17°. The Cr(5)-O(13) bond length is 1.94 Å. The Cr(5)-O(14) bond length is 1.98 Å. The Cr(5)-O(16) bond length is 1.94 Å. The Cr(5)-O(2) bond length is 1.94 Å. The Cr(5)-O(6) bond length is 1.97 Å. The Cr(5)-O(9) bond length is 1.97 Å. In the sixth Cr site, Cr(6) is bonded to one O(11), one O(14), one O(15), one O(5), one O(7), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-18°. The Cr(6)-O(11) bond length is 1.95 Å. The Cr(6)-O(14) bond length is 1.97 Å. The Cr(6)-O(15) bond length is 2.02 Å. The Cr(6)-O(5) bond length is 1.95 Å. The Cr(6)-O(7) bond length is 1.94 Å. The Cr(6)-O(9) bond length is 1.98 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(11), one O(12), one O(4), one O(5), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. The Fe(1)-O(1) bond length is 1.93 Å. The Fe(1)-O(11) bond length is 1.90 Å. The Fe(1)-O(12) bond length is 1.91 Å. The Fe(1)-O(4) bond length is 1.95 Å. The Fe(1)-O(5) bond length is 1.91 Å. The Fe(1)-O(8) bond length is 1.94 Å. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(14), one O(3), one O(5), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. The Fe(2)-O(10) bond length is 1.95 Å. The Fe(2)-O(12) bond length is 1.91 Å. The Fe(2)-O(14) bond length is 1.93 Å. The Fe(2)-O(3) bond length is 1.90 Å. The Fe(2)-O(5) bond length is 1.91 Å. The Fe(2)-O(6) bond length is 1.94 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Cr(1), one Cr(4), and one Fe(1) atom to form OLi2Cr2Fe square pyramids that share  a cornercorner with one O(10)Li2Cr2Fe square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid,  a cornercorner with one O(3)LiCr2Fe trigonal pyramid,  an edgeedge with one O(4)Li2Cr2Fe square pyramid,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(9)Li2Cr3 square pyramid, and edges with two equivalent O(8)Li2Cr2Fe square pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(3), one Cr(2), one Cr(4), and one Cr(5) atom. In the third O site, O(3) is bonded to one Li(2), one Cr(1), one Cr(2), and one Fe(2) atom to form OLiCr2Fe trigonal pyramids that share  a cornercorner with one O(1)Li2Cr2Fe square pyramid,  a cornercorner with one O(10)Li2Cr2Fe square pyramid,  a cornercorner with one O(8)Li2Cr2Fe square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid,  a cornercorner with one O(9)Li2Cr3 square pyramid, corners with two equivalent O(14)Li2Cr2Fe square pyramids,  an edgeedge with one O(10)Li2Cr2Fe square pyramid,  an edgeedge with one O(4)Li2Cr2Fe square pyramid, and  an edgeedge with one O(6)Li2Cr2Fe square pyramid. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Cr(2), one Cr(3), and one Fe(1) atom to form OLi2Cr2Fe square pyramids that share  a cornercorner with one O(14)Li2Cr2Fe square pyramid,  a cornercorner with one O(8)Li2Cr2Fe square pyramid,  an edgeedge with one O(1)Li2Cr2Fe square pyramid,  an edgeedge with one O(6)Li2Cr2Fe square pyramid,  an edgeedge with one O(8)Li2Cr2Fe square pyramid, edges with two equivalent O(10)Li2Cr2Fe square pyramids, and  an edgeedge with one O(3)LiCr2Fe trigonal pyramid. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(4), one Cr(6), one Fe(1), and one Fe(2) atom. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Cr(3), one Cr(5), and one Fe(2) atom to form OLi2Cr2Fe square pyramids that share  a cornercorner with one O(10)Li2Cr2Fe square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(10)Li2Cr2Fe square pyramid,  an edgeedge with one O(4)Li2Cr2Fe square pyramid,  an edgeedge with one O(9)Li2Cr3 square pyramid, edges with two equivalent O(14)Li2Cr2Fe square pyramids, and  an edgeedge with one O(3)LiCr2Fe trigonal pyramid. In the seventh O site, O(7) is bonded in a see-saw-like geometry to one Li(1), one Cr(3), one Cr(4), and one Cr(6) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Cr(2), one Cr(4), and one Fe(1) atom to form OLi2Cr2Fe square pyramids that share  a cornercorner with one O(4)Li2Cr2Fe square pyramid,  a cornercorner with one O(9)Li2Cr3 square pyramid,  a cornercorner with one O(3)LiCr2Fe trigonal pyramid,  an edgeedge with one O(10)Li2Cr2Fe square pyramid,  an edgeedge with one O(4)Li2Cr2Fe square pyramid,  an edgeedge with one O(15)Li2Cr3 square pyramid, and edges with two equivalent O(1)Li2Cr2Fe square pyramids. In the ninth O site, O(9) is bonded to one Li(1), one Li(4), one Cr(1), one Cr(5), and one Cr(6) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(14)Li2Cr2Fe square pyramid,  a cornercorner with one O(8)Li2Cr2Fe square pyramid,  a cornercorner with one O(3)LiCr2Fe trigonal pyramid,  an edgeedge with one O(1)Li2Cr2Fe square pyramid,  an edgeedge with one O(14)Li2Cr2Fe square pyramid,  an edgeedge with one O(6)Li2Cr2Fe square pyramid, and edges with two equivalent O(15)Li2Cr3 square pyramids. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one Cr(2), one Cr(3), and one Fe(2) atom to form OLi2Cr2Fe square pyramids that share  a cornercorner with one O(1)Li2Cr2Fe square pyramid,  a cornercorner with one O(6)Li2Cr2Fe square pyramid,  a cornercorner with one O(3)LiCr2Fe trigonal pyramid,  an edgeedge with one O(14)Li2Cr2Fe square pyramid,  an edgeedge with one O(6)Li2Cr2Fe square pyramid,  an edgeedge with one O(8)Li2Cr2Fe square pyramid, edges with two equivalent O(4)Li2Cr2Fe square pyramids, and  an edgeedge with one O(3)LiCr2Fe trigonal pyramid. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(3), one Cr(3), one Cr(6), and one Fe(1) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(1), one Cr(1), one Fe(1), and one Fe(2) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(3), one Cr(4), and one Cr(5) atom. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(4), one Cr(5), one Cr(6), and one Fe(2) atom to form OLi2Cr2Fe square pyramids that share  a cornercorner with one O(4)Li2Cr2Fe square pyramid,  a cornercorner with one O(9)Li2Cr3 square pyramid, corners with two equivalent O(3)LiCr2Fe trigonal pyramids,  an edgeedge with one O(10)Li2Cr2Fe square pyramid,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(9)Li2Cr3 square pyramid, and edges with two equivalent O(6)Li2Cr2Fe square pyramids. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(4), one Cr(1), one Cr(4), and one Cr(6) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(1)Li2Cr2Fe square pyramid,  a cornercorner with one O(6)Li2Cr2Fe square pyramid,  a cornercorner with one O(3)LiCr2Fe trigonal pyramid,  an edgeedge with one O(1)Li2Cr2Fe square pyramid,  an edgeedge with one O(14)Li2Cr2Fe square pyramid,  an edgeedge with one O(8)Li2Cr2Fe square pyramid, and edges with two equivalent O(9)Li2Cr3 square pyramids. In the sixteenth O site, O(16) is bonded in a see-saw-like geometry to one Li(4), one Cr(1), one Cr(2), and one Cr(5) atom.