Li4Cr3FeO8 is alpha Po-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(14), one O(16), one O(3), one O(4), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(5)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the second Li site, Li(2) is bonded to one O(11), one O(12), one O(13), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Cr(6)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(14), one O(2), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(6)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, corners with two equivalent Cr(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(15), one O(5), one O(6), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Cr(5)O6 octahedra, corners with two equivalent Cr(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. In the fifth Li site, Li(5) is bonded to one O(11), one O(12), one O(16), one O(3), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(6)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the sixth Li site, Li(6) is bonded to one O(12), one O(13), one O(15), one O(3), one O(4), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Cr(5)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Cr(6)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the seventh Li site, Li(7) is bonded to one O(10), one O(14), one O(16), one O(2), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the eighth Li site, Li(8) is bonded to one O(1), one O(13), one O(15), one O(2), one O(5), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Li(4)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 5-7°. There are six inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(10), one O(2), one O(5), one O(7), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(7)O6 octahedra, corners with two equivalent Li(8)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)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, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the second Cr site, Cr(2) is bonded to one O(11), one O(12), one O(13), one O(3), one O(4), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(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,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the third Cr site, Cr(3) is bonded to one O(13), one O(15), one O(4), one O(5), 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(7)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(8)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the fourth Cr site, Cr(4) is bonded to one O(10), one O(11), one O(14), one O(16), 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(4)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)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(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the fifth Cr site, Cr(5) is bonded to one O(1), one O(10), one O(14), one O(15), one O(2), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)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, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the sixth Cr site, Cr(6) is bonded to one O(1), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(12), one O(16), one O(3), one O(4), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)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, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. In the second Fe site, Fe(2) is bonded to one O(14), one O(16), one O(2), one O(3), one O(7), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Li(7)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(4), one Li(8), one Cr(1), one Cr(5), and one Cr(6) atom to form OLi3Cr3 octahedra that share  a cornercorner with one O(12)Li3Cr2Fe octahedra,  a cornercorner with one O(8)Li3Cr2Fe octahedra, corners with two equivalent O(10)Li3Cr3 octahedra, corners with two equivalent O(15)Li3Cr3 octahedra,  an edgeedge with one O(14)Li3Cr2Fe octahedra,  an edgeedge with one O(6)Li3Cr2Fe octahedra,  an edgeedge with one O(7)Li3Cr2Fe octahedra,  an edgeedge with one O(10)Li3Cr3 octahedra,  an edgeedge with one O(13)Li3Cr3 octahedra,  an edgeedge with one O(15)Li3Cr3 octahedra, edges with two equivalent O(2)Li3Cr2Fe octahedra, edges with two equivalent O(5)Li3Cr3 octahedra, and edges with two equivalent O(9)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Li(3), one Li(7), one Li(8), one Cr(1), one Cr(5), and one Fe(2) atom to form OLi3Cr2Fe octahedra that share  a cornercorner with one O(13)Li3Cr3 octahedra,  a cornercorner with one O(3)Li3CrFe2 octahedra, corners with two equivalent O(7)Li3Cr2Fe octahedra, corners with two equivalent O(9)Li3Cr3 octahedra,  an edgeedge with one O(7)Li3Cr2Fe octahedra,  an edgeedge with one O(8)Li3Cr2Fe octahedra,  an edgeedge with one O(15)Li3Cr3 octahedra,  an edgeedge with one O(5)Li3Cr3 octahedra,  an edgeedge with one O(9)Li3Cr3 octahedra,  an edgeedge with one O(16)Li3CrFe2 octahedra, edges with two equivalent O(14)Li3Cr2Fe octahedra, edges with two equivalent O(1)Li3Cr3 octahedra, and edges with two equivalent O(10)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to one Li(1), one Li(5), one Li(6), one Cr(2), one Fe(1), and one Fe(2) atom to form OLi3CrFe2 octahedra that share  a cornercorner with one O(2)Li3Cr2Fe octahedra,  a cornercorner with one O(15)Li3Cr3 octahedra, corners with two equivalent O(12)Li3Cr2Fe octahedra, corners with two equivalent O(16)Li3CrFe2 octahedra,  an edgeedge with one O(12)Li3Cr2Fe octahedra,  an edgeedge with one O(14)Li3Cr2Fe octahedra,  an edgeedge with one O(6)Li3Cr2Fe octahedra,  an edgeedge with one O(7)Li3Cr2Fe octahedra,  an edgeedge with one O(13)Li3Cr3 octahedra,  an edgeedge with one O(16)Li3CrFe2 octahedra, edges with two equivalent O(11)Li3Cr2Fe octahedra, edges with two equivalent O(4)Li3Cr2Fe octahedra, and edges with two equivalent O(8)Li3Cr2Fe octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(6), one Cr(2), one Cr(3), and one Fe(1) atom to form OLi3Cr2Fe octahedra that share  a cornercorner with one O(14)Li3Cr2Fe octahedra,  a cornercorner with one O(9)Li3Cr3 octahedra, corners with two equivalent O(11)Li3Cr2Fe octahedra, corners with two equivalent O(13)Li3Cr3 octahedra,  an edgeedge with one O(11)Li3Cr2Fe octahedra,  an edgeedge with one O(8)Li3Cr2Fe octahedra,  an edgeedge with one O(13)Li3Cr3 octahedra,  an edgeedge with one O(15)Li3Cr3 octahedra,  an edgeedge with one O(5)Li3Cr3 octahedra,  an edgeedge with one O(16)Li3CrFe2 octahedra, edges with two equivalent O(12)Li3Cr2Fe octahedra, edges with two equivalent O(6)Li3Cr2Fe octahedra, and edges with two equivalent O(3)Li3CrFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Li(8), one Cr(1), one Cr(3), and one Cr(6) atom to form OLi3Cr3 octahedra that share  a cornercorner with one O(11)Li3Cr2Fe octahedra,  a cornercorner with one O(7)Li3Cr2Fe octahedra, corners with two equivalent O(13)Li3Cr3 octahedra, corners with two equivalent O(9)Li3Cr3 octahedra,  an edgeedge with one O(12)Li3Cr2Fe octahedra,  an edgeedge with one O(2)Li3Cr2Fe octahedra,  an edgeedge with one O(4)Li3Cr2Fe octahedra,  an edgeedge with one O(10)Li3Cr3 octahedra,  an edgeedge with one O(13)Li3Cr3 octahedra,  an edgeedge with one O(9)Li3Cr3 octahedra, edges with two equivalent O(6)Li3Cr2Fe octahedra, edges with two equivalent O(1)Li3Cr3 octahedra, and edges with two equivalent O(15)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Li(6), one Cr(3), one Cr(6), and one Fe(1) atom to form OLi3Cr2Fe octahedra that share  a cornercorner with one O(10)Li3Cr3 octahedra,  a cornercorner with one O(16)Li3CrFe2 octahedra, corners with two equivalent O(12)Li3Cr2Fe octahedra, corners with two equivalent O(15)Li3Cr3 octahedra,  an edgeedge with one O(11)Li3Cr2Fe octahedra,  an edgeedge with one O(12)Li3Cr2Fe octahedra,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(15)Li3Cr3 octahedra,  an edgeedge with one O(9)Li3Cr3 octahedra,  an edgeedge with one O(3)Li3CrFe2 octahedra, edges with two equivalent O(4)Li3Cr2Fe octahedra, edges with two equivalent O(13)Li3Cr3 octahedra, and edges with two equivalent O(5)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the seventh O site, O(7) is bonded to one Li(3), one Li(5), one Li(7), one Cr(1), one Cr(4), and one Fe(2) atom to form OLi3Cr2Fe octahedra that share  a cornercorner with one O(12)Li3Cr2Fe octahedra,  a cornercorner with one O(5)Li3Cr3 octahedra, corners with two equivalent O(2)Li3Cr2Fe octahedra, corners with two equivalent O(16)Li3CrFe2 octahedra,  an edgeedge with one O(11)Li3Cr2Fe octahedra,  an edgeedge with one O(2)Li3Cr2Fe octahedra,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(9)Li3Cr3 octahedra,  an edgeedge with one O(16)Li3CrFe2 octahedra,  an edgeedge with one O(3)Li3CrFe2 octahedra, edges with two equivalent O(14)Li3Cr2Fe octahedra, edges with two equivalent O(8)Li3Cr2Fe octahedra, and edges with two equivalent O(10)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(5), one Cr(2), one Cr(4), and one Fe(2) atom to form OLi3Cr2Fe octahedra that share  a cornercorner with one O(1)Li3Cr3 octahedra,  a cornercorner with one O(13)Li3Cr3 octahedra, corners with two equivalent O(11)Li3Cr2Fe octahedra, corners with two equivalent O(14)Li3Cr2Fe octahedra,  an edgeedge with one O(11)Li3Cr2Fe octahedra,  an edgeedge with one O(12)Li3Cr2Fe octahedra,  an edgeedge with one O(14)Li3Cr2Fe octahedra,  an edgeedge with one O(2)Li3Cr2Fe octahedra,  an edgeedge with one O(4)Li3Cr2Fe octahedra,  an edgeedge with one O(10)Li3Cr3 octahedra, edges with two equivalent O(7)Li3Cr2Fe octahedra, edges with two equivalent O(16)Li3CrFe2 octahedra, and edges with two equivalent O(3)Li3CrFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the ninth O site, O(9) is bonded to one Li(4), one Li(7), one Li(8), one Cr(1), one Cr(3), and one Cr(5) atom to form OLi3Cr3 octahedra that share  a cornercorner with one O(4)Li3Cr2Fe octahedra,  a cornercorner with one O(16)Li3CrFe2 octahedra, corners with two equivalent O(2)Li3Cr2Fe octahedra, corners with two equivalent O(5)Li3Cr3 octahedra,  an edgeedge with one O(14)Li3Cr2Fe octahedra,  an edgeedge with one O(2)Li3Cr2Fe octahedra,  an edgeedge with one O(6)Li3Cr2Fe octahedra,  an edgeedge with one O(7)Li3Cr2Fe octahedra,  an edgeedge with one O(13)Li3Cr3 octahedra,  an edgeedge with one O(5)Li3Cr3 octahedra, edges with two equivalent O(1)Li3Cr3 octahedra, edges with two equivalent O(10)Li3Cr3 octahedra, and edges with two equivalent O(15)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the tenth O site, O(10) is bonded to one Li(3), one Li(4), one Li(7), one Cr(1), one Cr(4), and one Cr(5) atom to form OLi3Cr3 octahedra that share  a cornercorner with one O(11)Li3Cr2Fe octahedra,  a cornercorner with one O(6)Li3Cr2Fe octahedra, corners with two equivalent O(14)Li3Cr2Fe octahedra, corners with two equivalent O(1)Li3Cr3 octahedra,  an edgeedge with one O(14)Li3Cr2Fe octahedra,  an edgeedge with one O(8)Li3Cr2Fe octahedra,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(15)Li3Cr3 octahedra,  an edgeedge with one O(5)Li3Cr3 octahedra,  an edgeedge with one O(16)Li3CrFe2 octahedra, edges with two equivalent O(2)Li3Cr2Fe octahedra, edges with two equivalent O(7)Li3Cr2Fe octahedra, and edges with two equivalent O(9)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(2), one Li(5), one Cr(2), one Cr(4), and one Fe(1) atom to form OLi3Cr2Fe octahedra that share  a cornercorner with one O(10)Li3Cr3 octahedra,  a cornercorner with one O(5)Li3Cr3 octahedra, corners with two equivalent O(4)Li3Cr2Fe octahedra, corners with two equivalent O(8)Li3Cr2Fe octahedra,  an edgeedge with one O(14)Li3Cr2Fe octahedra,  an edgeedge with one O(4)Li3Cr2Fe octahedra,  an edgeedge with one O(6)Li3Cr2Fe octahedra,  an edgeedge with one O(7)Li3Cr2Fe octahedra,  an edgeedge with one O(8)Li3Cr2Fe octahedra,  an edgeedge with one O(13)Li3Cr3 octahedra, edges with two equivalent O(12)Li3Cr2Fe octahedra, edges with two equivalent O(16)Li3CrFe2 octahedra, and edges with two equivalent O(3)Li3CrFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the twelfth O site, O(12) is bonded to one Li(2), one Li(5), one Li(6), one Cr(2), one Cr(6), and one Fe(1) atom to form OLi3Cr2Fe octahedra that share  a cornercorner with one O(7)Li3Cr2Fe octahedra,  a cornercorner with one O(1)Li3Cr3 octahedra, corners with two equivalent O(6)Li3Cr2Fe octahedra, corners with two equivalent O(3)Li3CrFe2 octahedra,  an edgeedge with one O(6)Li3Cr2Fe octahedra,  an edgeedge with one O(8)Li3Cr2Fe octahedra,  an edgeedge with one O(15)Li3Cr3 octahedra,  an edgeedge with one O(5)Li3Cr3 octahedra,  an edgeedge with one O(16)Li3CrFe2 octahedra,  an edgeedge with one O(3)Li3CrFe2 octahedra, edges with two equivalent O(11)Li3Cr2Fe octahedra, edges with two equivalent O(4)Li3Cr2Fe octahedra, and edges with two equivalent O(13)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the thirteenth O site, O(13) is bonded to one Li(2), one Li(6), one Li(8), one Cr(2), one Cr(3), and one Cr(6) atom to form OLi3Cr3 octahedra that share  a cornercorner with one O(2)Li3Cr2Fe octahedra,  a cornercorner with one O(8)Li3Cr2Fe octahedra, corners with two equivalent O(4)Li3Cr2Fe octahedra, corners with two equivalent O(5)Li3Cr3 octahedra,  an edgeedge with one O(11)Li3Cr2Fe octahedra,  an edgeedge with one O(4)Li3Cr2Fe octahedra,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(5)Li3Cr3 octahedra,  an edgeedge with one O(9)Li3Cr3 octahedra,  an edgeedge with one O(3)Li3CrFe2 octahedra, edges with two equivalent O(12)Li3Cr2Fe octahedra, edges with two equivalent O(6)Li3Cr2Fe octahedra, and edges with two equivalent O(15)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(3), one Li(7), one Cr(4), one Cr(5), and one Fe(2) atom to form OLi3Cr2Fe octahedra that share  a cornercorner with one O(4)Li3Cr2Fe octahedra,  a cornercorner with one O(15)Li3Cr3 octahedra, corners with two equivalent O(8)Li3Cr2Fe octahedra, corners with two equivalent O(10)Li3Cr3 octahedra,  an edgeedge with one O(11)Li3Cr2Fe octahedra,  an edgeedge with one O(8)Li3Cr2Fe octahedra,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(10)Li3Cr3 octahedra,  an edgeedge with one O(9)Li3Cr3 octahedra,  an edgeedge with one O(3)Li3CrFe2 octahedra, edges with two equivalent O(2)Li3Cr2Fe octahedra, edges with two equivalent O(7)Li3Cr2Fe octahedra, and edges with two equivalent O(16)Li3CrFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fifteenth O site, O(15) is bonded to one Li(4), one Li(6), one Li(8), one Cr(3), one Cr(5), and one Cr(6) atom to form OLi3Cr3 octahedra that share  a cornercorner with one O(14)Li3Cr2Fe octahedra,  a cornercorner with one O(3)Li3CrFe2 octahedra, corners with two equivalent O(6)Li3Cr2Fe octahedra, corners with two equivalent O(1)Li3Cr3 octahedra,  an edgeedge with one O(12)Li3Cr2Fe octahedra,  an edgeedge with one O(2)Li3Cr2Fe octahedra,  an edgeedge with one O(4)Li3Cr2Fe octahedra,  an edgeedge with one O(6)Li3Cr2Fe octahedra,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(10)Li3Cr3 octahedra, edges with two equivalent O(13)Li3Cr3 octahedra, edges with two equivalent O(5)Li3Cr3 octahedra, and edges with two equivalent O(9)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixteenth O site, O(16) is bonded to one Li(1), one Li(5), one Li(7), one Cr(4), one Fe(1), and one Fe(2) atom to form OLi3CrFe2 octahedra that share  a cornercorner with one O(6)Li3Cr2Fe octahedra,  a cornercorner with one O(9)Li3Cr3 octahedra, corners with two equivalent O(7)Li3Cr2Fe octahedra, corners with two equivalent O(3)Li3CrFe2 octahedra,  an edgeedge with one O(12)Li3Cr2Fe octahedra,  an edgeedge with one O(2)Li3Cr2Fe octahedra,  an edgeedge with one O(4)Li3Cr2Fe octahedra,  an edgeedge with one O(7)Li3Cr2Fe octahedra,  an edgeedge with one O(10)Li3Cr3 octahedra,  an edgeedge with one O(3)Li3CrFe2 octahedra, edges with two equivalent O(11)Li3Cr2Fe octahedra, edges with two equivalent O(14)Li3Cr2Fe octahedra, and edges with two equivalent O(8)Li3Cr2Fe octahedra. The corner-sharing octahedral tilt angles range from 1-4°.
Li4Cr3FeO8 is alpha Po-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(14), one O(16), one O(3), one O(4), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(5)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. The Li(1)-O(11) bond length is 2.17 Å. The Li(1)-O(14) bond length is 2.13 Å. The Li(1)-O(16) bond length is 2.15 Å. The Li(1)-O(3) bond length is 2.16 Å. The Li(1)-O(4) bond length is 2.15 Å. The Li(1)-O(8) bond length is 2.15 Å. In the second Li site, Li(2) is bonded to one O(11), one O(12), one O(13), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Cr(6)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. The Li(2)-O(11) bond length is 2.15 Å. The Li(2)-O(12) bond length is 2.16 Å. The Li(2)-O(13) bond length is 2.16 Å. The Li(2)-O(4) bond length is 2.17 Å. The Li(2)-O(5) bond length is 2.15 Å. The Li(2)-O(6) bond length is 2.15 Å. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(14), one O(2), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(6)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, corners with two equivalent Cr(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. The Li(3)-O(1) bond length is 2.16 Å. The Li(3)-O(10) bond length is 2.18 Å. The Li(3)-O(14) bond length is 2.16 Å. The Li(3)-O(2) bond length is 2.16 Å. The Li(3)-O(7) bond length is 2.16 Å. The Li(3)-O(8) bond length is 2.14 Å. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(15), one O(5), one O(6), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Cr(5)O6 octahedra, corners with two equivalent Cr(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. The Li(4)-O(1) bond length is 2.16 Å. The Li(4)-O(10) bond length is 2.15 Å. The Li(4)-O(15) bond length is 2.17 Å. The Li(4)-O(5) bond length is 2.16 Å. The Li(4)-O(6) bond length is 2.19 Å. The Li(4)-O(9) bond length is 2.16 Å. In the fifth Li site, Li(5) is bonded to one O(11), one O(12), one O(16), one O(3), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(6)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. The Li(5)-O(11) bond length is 2.20 Å. The Li(5)-O(12) bond length is 2.17 Å. The Li(5)-O(16) bond length is 2.07 Å. The Li(5)-O(3) bond length is 2.18 Å. The Li(5)-O(7) bond length is 2.14 Å. The Li(5)-O(8) bond length is 2.10 Å. In the sixth Li site, Li(6) is bonded to one O(12), one O(13), one O(15), one O(3), one O(4), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Cr(5)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Cr(6)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. The Li(6)-O(12) bond length is 2.20 Å. The Li(6)-O(13) bond length is 2.15 Å. The Li(6)-O(15) bond length is 2.15 Å. The Li(6)-O(3) bond length is 2.06 Å. The Li(6)-O(4) bond length is 2.19 Å. The Li(6)-O(6) bond length is 2.16 Å. In the seventh Li site, Li(7) is bonded to one O(10), one O(14), one O(16), one O(2), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. The Li(7)-O(10) bond length is 2.16 Å. The Li(7)-O(14) bond length is 2.11 Å. The Li(7)-O(16) bond length is 2.16 Å. The Li(7)-O(2) bond length is 2.17 Å. The Li(7)-O(7) bond length is 2.10 Å. The Li(7)-O(9) bond length is 2.17 Å. In the eighth Li site, Li(8) is bonded to one O(1), one O(13), one O(15), one O(2), one O(5), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Li(4)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 5-7°. The Li(8)-O(1) bond length is 2.16 Å. The Li(8)-O(13) bond length is 2.16 Å. The Li(8)-O(15) bond length is 2.17 Å. The Li(8)-O(2) bond length is 2.08 Å. The Li(8)-O(5) bond length is 2.17 Å. The Li(8)-O(9) bond length is 2.17 Å. There are six inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(10), one O(2), one O(5), one O(7), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(7)O6 octahedra, corners with two equivalent Li(8)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)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, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. The Cr(1)-O(1) bond length is 2.01 Å. The Cr(1)-O(10) bond length is 2.01 Å. The Cr(1)-O(2) bond length is 2.00 Å. The Cr(1)-O(5) bond length is 2.03 Å. The Cr(1)-O(7) bond length is 1.99 Å. The Cr(1)-O(9) bond length is 2.02 Å. In the second Cr site, Cr(2) is bonded to one O(11), one O(12), one O(13), one O(3), one O(4), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(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,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. The Cr(2)-O(11) bond length is 2.01 Å. The Cr(2)-O(12) bond length is 2.01 Å. The Cr(2)-O(13) bond length is 2.00 Å. The Cr(2)-O(3) bond length is 2.02 Å. The Cr(2)-O(4) bond length is 2.01 Å. The Cr(2)-O(8) bond length is 2.01 Å. In the third Cr site, Cr(3) is bonded to one O(13), one O(15), one O(4), one O(5), 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(7)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(8)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. The Cr(3)-O(13) bond length is 2.01 Å. The Cr(3)-O(15) bond length is 2.02 Å. The Cr(3)-O(4) bond length is 2.01 Å. The Cr(3)-O(5) bond length is 2.00 Å. The Cr(3)-O(6) bond length is 2.00 Å. The Cr(3)-O(9) bond length is 2.00 Å. In the fourth Cr site, Cr(4) is bonded to one O(10), one O(11), one O(14), one O(16), 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(4)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)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(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. The Cr(4)-O(10) bond length is 2.01 Å. The Cr(4)-O(11) bond length is 2.00 Å. The Cr(4)-O(14) bond length is 2.01 Å. The Cr(4)-O(16) bond length is 2.01 Å. The Cr(4)-O(7) bond length is 2.00 Å. The Cr(4)-O(8) bond length is 2.01 Å. In the fifth Cr site, Cr(5) is bonded to one O(1), one O(10), one O(14), one O(15), one O(2), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)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, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. The Cr(5)-O(1) bond length is 2.01 Å. The Cr(5)-O(10) bond length is 2.01 Å. The Cr(5)-O(14) bond length is 2.01 Å. The Cr(5)-O(15) bond length is 2.01 Å. The Cr(5)-O(2) bond length is 2.00 Å. The Cr(5)-O(9) bond length is 2.01 Å. In the sixth Cr site, Cr(6) is bonded to one O(1), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. The Cr(6)-O(1) bond length is 2.02 Å. The Cr(6)-O(12) bond length is 1.99 Å. The Cr(6)-O(13) bond length is 2.01 Å. The Cr(6)-O(15) bond length is 2.02 Å. The Cr(6)-O(5) bond length is 2.01 Å. The Cr(6)-O(6) bond length is 2.00 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(12), one O(16), one O(3), one O(4), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)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, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. The Fe(1)-O(11) bond length is 1.98 Å. The Fe(1)-O(12) bond length is 2.00 Å. The Fe(1)-O(16) bond length is 1.97 Å. The Fe(1)-O(3) bond length is 1.97 Å. The Fe(1)-O(4) bond length is 1.98 Å. The Fe(1)-O(6) bond length is 2.01 Å. In the second Fe site, Fe(2) is bonded to one O(14), one O(16), one O(2), one O(3), one O(7), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Li(7)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. The Fe(2)-O(14) bond length is 2.05 Å. The Fe(2)-O(16) bond length is 2.05 Å. The Fe(2)-O(2) bond length is 2.12 Å. The Fe(2)-O(3) bond length is 2.05 Å. The Fe(2)-O(7) bond length is 2.13 Å. The Fe(2)-O(8) bond length is 2.06 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(4), one Li(8), one Cr(1), one Cr(5), and one Cr(6) atom to form OLi3Cr3 octahedra that share  a cornercorner with one O(12)Li3Cr2Fe octahedra,  a cornercorner with one O(8)Li3Cr2Fe octahedra, corners with two equivalent O(10)Li3Cr3 octahedra, corners with two equivalent O(15)Li3Cr3 octahedra,  an edgeedge with one O(14)Li3Cr2Fe octahedra,  an edgeedge with one O(6)Li3Cr2Fe octahedra,  an edgeedge with one O(7)Li3Cr2Fe octahedra,  an edgeedge with one O(10)Li3Cr3 octahedra,  an edgeedge with one O(13)Li3Cr3 octahedra,  an edgeedge with one O(15)Li3Cr3 octahedra, edges with two equivalent O(2)Li3Cr2Fe octahedra, edges with two equivalent O(5)Li3Cr3 octahedra, and edges with two equivalent O(9)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Li(3), one Li(7), one Li(8), one Cr(1), one Cr(5), and one Fe(2) atom to form OLi3Cr2Fe octahedra that share  a cornercorner with one O(13)Li3Cr3 octahedra,  a cornercorner with one O(3)Li3CrFe2 octahedra, corners with two equivalent O(7)Li3Cr2Fe octahedra, corners with two equivalent O(9)Li3Cr3 octahedra,  an edgeedge with one O(7)Li3Cr2Fe octahedra,  an edgeedge with one O(8)Li3Cr2Fe octahedra,  an edgeedge with one O(15)Li3Cr3 octahedra,  an edgeedge with one O(5)Li3Cr3 octahedra,  an edgeedge with one O(9)Li3Cr3 octahedra,  an edgeedge with one O(16)Li3CrFe2 octahedra, edges with two equivalent O(14)Li3Cr2Fe octahedra, edges with two equivalent O(1)Li3Cr3 octahedra, and edges with two equivalent O(10)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to one Li(1), one Li(5), one Li(6), one Cr(2), one Fe(1), and one Fe(2) atom to form OLi3CrFe2 octahedra that share  a cornercorner with one O(2)Li3Cr2Fe octahedra,  a cornercorner with one O(15)Li3Cr3 octahedra, corners with two equivalent O(12)Li3Cr2Fe octahedra, corners with two equivalent O(16)Li3CrFe2 octahedra,  an edgeedge with one O(12)Li3Cr2Fe octahedra,  an edgeedge with one O(14)Li3Cr2Fe octahedra,  an edgeedge with one O(6)Li3Cr2Fe octahedra,  an edgeedge with one O(7)Li3Cr2Fe octahedra,  an edgeedge with one O(13)Li3Cr3 octahedra,  an edgeedge with one O(16)Li3CrFe2 octahedra, edges with two equivalent O(11)Li3Cr2Fe octahedra, edges with two equivalent O(4)Li3Cr2Fe octahedra, and edges with two equivalent O(8)Li3Cr2Fe octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(6), one Cr(2), one Cr(3), and one Fe(1) atom to form OLi3Cr2Fe octahedra that share  a cornercorner with one O(14)Li3Cr2Fe octahedra,  a cornercorner with one O(9)Li3Cr3 octahedra, corners with two equivalent O(11)Li3Cr2Fe octahedra, corners with two equivalent O(13)Li3Cr3 octahedra,  an edgeedge with one O(11)Li3Cr2Fe octahedra,  an edgeedge with one O(8)Li3Cr2Fe octahedra,  an edgeedge with one O(13)Li3Cr3 octahedra,  an edgeedge with one O(15)Li3Cr3 octahedra,  an edgeedge with one O(5)Li3Cr3 octahedra,  an edgeedge with one O(16)Li3CrFe2 octahedra, edges with two equivalent O(12)Li3Cr2Fe octahedra, edges with two equivalent O(6)Li3Cr2Fe octahedra, and edges with two equivalent O(3)Li3CrFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Li(8), one Cr(1), one Cr(3), and one Cr(6) atom to form OLi3Cr3 octahedra that share  a cornercorner with one O(11)Li3Cr2Fe octahedra,  a cornercorner with one O(7)Li3Cr2Fe octahedra, corners with two equivalent O(13)Li3Cr3 octahedra, corners with two equivalent O(9)Li3Cr3 octahedra,  an edgeedge with one O(12)Li3Cr2Fe octahedra,  an edgeedge with one O(2)Li3Cr2Fe octahedra,  an edgeedge with one O(4)Li3Cr2Fe octahedra,  an edgeedge with one O(10)Li3Cr3 octahedra,  an edgeedge with one O(13)Li3Cr3 octahedra,  an edgeedge with one O(9)Li3Cr3 octahedra, edges with two equivalent O(6)Li3Cr2Fe octahedra, edges with two equivalent O(1)Li3Cr3 octahedra, and edges with two equivalent O(15)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Li(6), one Cr(3), one Cr(6), and one Fe(1) atom to form OLi3Cr2Fe octahedra that share  a cornercorner with one O(10)Li3Cr3 octahedra,  a cornercorner with one O(16)Li3CrFe2 octahedra, corners with two equivalent O(12)Li3Cr2Fe octahedra, corners with two equivalent O(15)Li3Cr3 octahedra,  an edgeedge with one O(11)Li3Cr2Fe octahedra,  an edgeedge with one O(12)Li3Cr2Fe octahedra,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(15)Li3Cr3 octahedra,  an edgeedge with one O(9)Li3Cr3 octahedra,  an edgeedge with one O(3)Li3CrFe2 octahedra, edges with two equivalent O(4)Li3Cr2Fe octahedra, edges with two equivalent O(13)Li3Cr3 octahedra, and edges with two equivalent O(5)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the seventh O site, O(7) is bonded to one Li(3), one Li(5), one Li(7), one Cr(1), one Cr(4), and one Fe(2) atom to form OLi3Cr2Fe octahedra that share  a cornercorner with one O(12)Li3Cr2Fe octahedra,  a cornercorner with one O(5)Li3Cr3 octahedra, corners with two equivalent O(2)Li3Cr2Fe octahedra, corners with two equivalent O(16)Li3CrFe2 octahedra,  an edgeedge with one O(11)Li3Cr2Fe octahedra,  an edgeedge with one O(2)Li3Cr2Fe octahedra,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(9)Li3Cr3 octahedra,  an edgeedge with one O(16)Li3CrFe2 octahedra,  an edgeedge with one O(3)Li3CrFe2 octahedra, edges with two equivalent O(14)Li3Cr2Fe octahedra, edges with two equivalent O(8)Li3Cr2Fe octahedra, and edges with two equivalent O(10)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(5), one Cr(2), one Cr(4), and one Fe(2) atom to form OLi3Cr2Fe octahedra that share  a cornercorner with one O(1)Li3Cr3 octahedra,  a cornercorner with one O(13)Li3Cr3 octahedra, corners with two equivalent O(11)Li3Cr2Fe octahedra, corners with two equivalent O(14)Li3Cr2Fe octahedra,  an edgeedge with one O(11)Li3Cr2Fe octahedra,  an edgeedge with one O(12)Li3Cr2Fe octahedra,  an edgeedge with one O(14)Li3Cr2Fe octahedra,  an edgeedge with one O(2)Li3Cr2Fe octahedra,  an edgeedge with one O(4)Li3Cr2Fe octahedra,  an edgeedge with one O(10)Li3Cr3 octahedra, edges with two equivalent O(7)Li3Cr2Fe octahedra, edges with two equivalent O(16)Li3CrFe2 octahedra, and edges with two equivalent O(3)Li3CrFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the ninth O site, O(9) is bonded to one Li(4), one Li(7), one Li(8), one Cr(1), one Cr(3), and one Cr(5) atom to form OLi3Cr3 octahedra that share  a cornercorner with one O(4)Li3Cr2Fe octahedra,  a cornercorner with one O(16)Li3CrFe2 octahedra, corners with two equivalent O(2)Li3Cr2Fe octahedra, corners with two equivalent O(5)Li3Cr3 octahedra,  an edgeedge with one O(14)Li3Cr2Fe octahedra,  an edgeedge with one O(2)Li3Cr2Fe octahedra,  an edgeedge with one O(6)Li3Cr2Fe octahedra,  an edgeedge with one O(7)Li3Cr2Fe octahedra,  an edgeedge with one O(13)Li3Cr3 octahedra,  an edgeedge with one O(5)Li3Cr3 octahedra, edges with two equivalent O(1)Li3Cr3 octahedra, edges with two equivalent O(10)Li3Cr3 octahedra, and edges with two equivalent O(15)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the tenth O site, O(10) is bonded to one Li(3), one Li(4), one Li(7), one Cr(1), one Cr(4), and one Cr(5) atom to form OLi3Cr3 octahedra that share  a cornercorner with one O(11)Li3Cr2Fe octahedra,  a cornercorner with one O(6)Li3Cr2Fe octahedra, corners with two equivalent O(14)Li3Cr2Fe octahedra, corners with two equivalent O(1)Li3Cr3 octahedra,  an edgeedge with one O(14)Li3Cr2Fe octahedra,  an edgeedge with one O(8)Li3Cr2Fe octahedra,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(15)Li3Cr3 octahedra,  an edgeedge with one O(5)Li3Cr3 octahedra,  an edgeedge with one O(16)Li3CrFe2 octahedra, edges with two equivalent O(2)Li3Cr2Fe octahedra, edges with two equivalent O(7)Li3Cr2Fe octahedra, and edges with two equivalent O(9)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(2), one Li(5), one Cr(2), one Cr(4), and one Fe(1) atom to form OLi3Cr2Fe octahedra that share  a cornercorner with one O(10)Li3Cr3 octahedra,  a cornercorner with one O(5)Li3Cr3 octahedra, corners with two equivalent O(4)Li3Cr2Fe octahedra, corners with two equivalent O(8)Li3Cr2Fe octahedra,  an edgeedge with one O(14)Li3Cr2Fe octahedra,  an edgeedge with one O(4)Li3Cr2Fe octahedra,  an edgeedge with one O(6)Li3Cr2Fe octahedra,  an edgeedge with one O(7)Li3Cr2Fe octahedra,  an edgeedge with one O(8)Li3Cr2Fe octahedra,  an edgeedge with one O(13)Li3Cr3 octahedra, edges with two equivalent O(12)Li3Cr2Fe octahedra, edges with two equivalent O(16)Li3CrFe2 octahedra, and edges with two equivalent O(3)Li3CrFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the twelfth O site, O(12) is bonded to one Li(2), one Li(5), one Li(6), one Cr(2), one Cr(6), and one Fe(1) atom to form OLi3Cr2Fe octahedra that share  a cornercorner with one O(7)Li3Cr2Fe octahedra,  a cornercorner with one O(1)Li3Cr3 octahedra, corners with two equivalent O(6)Li3Cr2Fe octahedra, corners with two equivalent O(3)Li3CrFe2 octahedra,  an edgeedge with one O(6)Li3Cr2Fe octahedra,  an edgeedge with one O(8)Li3Cr2Fe octahedra,  an edgeedge with one O(15)Li3Cr3 octahedra,  an edgeedge with one O(5)Li3Cr3 octahedra,  an edgeedge with one O(16)Li3CrFe2 octahedra,  an edgeedge with one O(3)Li3CrFe2 octahedra, edges with two equivalent O(11)Li3Cr2Fe octahedra, edges with two equivalent O(4)Li3Cr2Fe octahedra, and edges with two equivalent O(13)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the thirteenth O site, O(13) is bonded to one Li(2), one Li(6), one Li(8), one Cr(2), one Cr(3), and one Cr(6) atom to form OLi3Cr3 octahedra that share  a cornercorner with one O(2)Li3Cr2Fe octahedra,  a cornercorner with one O(8)Li3Cr2Fe octahedra, corners with two equivalent O(4)Li3Cr2Fe octahedra, corners with two equivalent O(5)Li3Cr3 octahedra,  an edgeedge with one O(11)Li3Cr2Fe octahedra,  an edgeedge with one O(4)Li3Cr2Fe octahedra,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(5)Li3Cr3 octahedra,  an edgeedge with one O(9)Li3Cr3 octahedra,  an edgeedge with one O(3)Li3CrFe2 octahedra, edges with two equivalent O(12)Li3Cr2Fe octahedra, edges with two equivalent O(6)Li3Cr2Fe octahedra, and edges with two equivalent O(15)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(3), one Li(7), one Cr(4), one Cr(5), and one Fe(2) atom to form OLi3Cr2Fe octahedra that share  a cornercorner with one O(4)Li3Cr2Fe octahedra,  a cornercorner with one O(15)Li3Cr3 octahedra, corners with two equivalent O(8)Li3Cr2Fe octahedra, corners with two equivalent O(10)Li3Cr3 octahedra,  an edgeedge with one O(11)Li3Cr2Fe octahedra,  an edgeedge with one O(8)Li3Cr2Fe octahedra,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(10)Li3Cr3 octahedra,  an edgeedge with one O(9)Li3Cr3 octahedra,  an edgeedge with one O(3)Li3CrFe2 octahedra, edges with two equivalent O(2)Li3Cr2Fe octahedra, edges with two equivalent O(7)Li3Cr2Fe octahedra, and edges with two equivalent O(16)Li3CrFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fifteenth O site, O(15) is bonded to one Li(4), one Li(6), one Li(8), one Cr(3), one Cr(5), and one Cr(6) atom to form OLi3Cr3 octahedra that share  a cornercorner with one O(14)Li3Cr2Fe octahedra,  a cornercorner with one O(3)Li3CrFe2 octahedra, corners with two equivalent O(6)Li3Cr2Fe octahedra, corners with two equivalent O(1)Li3Cr3 octahedra,  an edgeedge with one O(12)Li3Cr2Fe octahedra,  an edgeedge with one O(2)Li3Cr2Fe octahedra,  an edgeedge with one O(4)Li3Cr2Fe octahedra,  an edgeedge with one O(6)Li3Cr2Fe octahedra,  an edgeedge with one O(1)Li3Cr3 octahedra,  an edgeedge with one O(10)Li3Cr3 octahedra, edges with two equivalent O(13)Li3Cr3 octahedra, edges with two equivalent O(5)Li3Cr3 octahedra, and edges with two equivalent O(9)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixteenth O site, O(16) is bonded to one Li(1), one Li(5), one Li(7), one Cr(4), one Fe(1), and one Fe(2) atom to form OLi3CrFe2 octahedra that share  a cornercorner with one O(6)Li3Cr2Fe octahedra,  a cornercorner with one O(9)Li3Cr3 octahedra, corners with two equivalent O(7)Li3Cr2Fe octahedra, corners with two equivalent O(3)Li3CrFe2 octahedra,  an edgeedge with one O(12)Li3Cr2Fe octahedra,  an edgeedge with one O(2)Li3Cr2Fe octahedra,  an edgeedge with one O(4)Li3Cr2Fe octahedra,  an edgeedge with one O(7)Li3Cr2Fe octahedra,  an edgeedge with one O(10)Li3Cr3 octahedra,  an edgeedge with one O(3)Li3CrFe2 octahedra, edges with two equivalent O(11)Li3Cr2Fe octahedra, edges with two equivalent O(14)Li3Cr2Fe octahedra, and edges with two equivalent O(8)Li3Cr2Fe octahedra. The corner-sharing octahedral tilt angles range from 1-4°.