Li7FeO5F is Aluminum carbonitride-derived structured and crystallizes in the triclinic P1 space group. There are fourteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(5), one O(9), and one F(2) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, corners with three equivalent Li(6)O3F tetrahedra,  a cornercorner with one Li(7)O3F trigonal pyramid, corners with three equivalent Li(5)O3F trigonal pyramids,  an edgeedge with one Li(2)O3F tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Li(10)O3F trigonal pyramid, and  an edgeedge with one Li(7)O3F trigonal pyramid. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(5), and one F(2) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(6)O3F tetrahedra,  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(10)O3F trigonal pyramid,  a cornercorner with one Li(4)O3F trigonal pyramid,  a cornercorner with one Li(5)O3F trigonal pyramid,  a cornercorner with one Li(8)O3F trigonal pyramid, corners with three equivalent Li(7)O3F trigonal pyramids,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra,  an edgeedge with one Fe(2)O4 tetrahedra, and  an edgeedge with one Li(5)O3F trigonal pyramid. In the third Li site, Li(3) is bonded to one O(10), one O(5), one O(6), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(2)O3F tetrahedra, corners with three equivalent Fe(1)O4 tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid,  a cornercorner with one Li(7)O3F trigonal pyramid, corners with three equivalent Li(10)O3F trigonal pyramids,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(5)O3F trigonal pyramid. In the fourth Li site, Li(4) is bonded to one O(3), one O(4), one O(7), and one F(1) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(2)O3F tetrahedra, corners with three equivalent Li(11)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid,  a cornercorner with one Li(7)O3F trigonal pyramid,  an edgeedge with one Li(14)O3F tetrahedra,  an edgeedge with one Li(9)O3F tetrahedra, and  an edgeedge with one Li(8)O3F trigonal pyramid. In the fifth Li site, Li(5) is bonded to one O(2), one O(5), one O(6), and one F(2) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Li(6)O3F tetrahedra,  a cornercorner with one Li(7)O3F trigonal pyramid,  an edgeedge with one Li(2)O3F tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Li(10)O3F trigonal pyramid, and  an edgeedge with one Li(7)O3F trigonal pyramid. In the sixth Li site, Li(6) is bonded to one O(10), one O(2), one O(5), and one F(2) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, corners with three equivalent Li(1)O3F tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid,  a cornercorner with one Li(7)O3F trigonal pyramid, corners with three equivalent Li(5)O3F trigonal pyramids,  an edgeedge with one Li(2)O3F tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Li(10)O3F trigonal pyramid, and  an edgeedge with one Li(7)O3F trigonal pyramid. In the seventh Li site, Li(7) is bonded to one O(2), one O(5), one O(7), and one F(2) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(6)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra,  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with three equivalent Li(2)O3F tetrahedra,  a cornercorner with one Li(10)O3F trigonal pyramid,  a cornercorner with one Li(4)O3F trigonal pyramid,  a cornercorner with one Li(5)O3F trigonal pyramid,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra,  an edgeedge with one Fe(2)O4 tetrahedra, and  an edgeedge with one Li(5)O3F trigonal pyramid. In the eighth Li site, Li(8) is bonded to one O(1), one O(3), one O(8), and one F(1) atom to form LiO3F trigonal pyramids that share  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, corners with three equivalent Li(14)O3F tetrahedra, corners with three equivalent Li(9)O3F tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(11)O4 tetrahedra,  an edgeedge with one Li(12)O3F trigonal pyramid, and  an edgeedge with one Li(4)O3F trigonal pyramid. In the ninth Li site, Li(9) is bonded to one O(1), one O(7), one O(8), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, corners with three equivalent Li(14)O3F tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid,  a cornercorner with one Li(7)O3F trigonal pyramid, corners with three equivalent Li(8)O3F trigonal pyramids,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(11)O4 tetrahedra,  an edgeedge with one Li(12)O3F trigonal pyramid, and  an edgeedge with one Li(4)O3F trigonal pyramid. In the tenth Li site, Li(10) is bonded to one O(10), one O(6), one O(9), and one F(2) atom to form LiO3F trigonal pyramids that share  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(2)O3F tetrahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Fe(1)O4 tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid,  a cornercorner with one Li(7)O3F trigonal pyramid,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(5)O3F trigonal pyramid. In the eleventh Li site, Li(11) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(2)O3F tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid,  a cornercorner with one Li(7)O3F trigonal pyramid, corners with three equivalent Li(4)O3F trigonal pyramids,  an edgeedge with one Li(14)O3F tetrahedra,  an edgeedge with one Li(9)O3F tetrahedra, and  an edgeedge with one Li(8)O3F trigonal pyramid. In the twelfth Li site, Li(12) is bonded to one O(1), one O(10), one O(8), and one F(1) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one Li(14)O3F tetrahedra,  a cornercorner with one Li(6)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra,  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with three equivalent Li(13)O3F tetrahedra,  a cornercorner with one Li(10)O3F trigonal pyramid,  a cornercorner with one Li(4)O3F trigonal pyramid,  a cornercorner with one Li(8)O3F trigonal pyramid,  an edgeedge with one Li(14)O3F tetrahedra,  an edgeedge with one Li(9)O3F tetrahedra,  an edgeedge with one Fe(1)O4 tetrahedra, and  an edgeedge with one Li(8)O3F trigonal pyramid. In the thirteenth Li site, Li(13) is bonded to one O(1), one O(8), one O(9), and one F(1) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(14)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra,  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(10)O3F trigonal pyramid,  a cornercorner with one Li(4)O3F trigonal pyramid,  a cornercorner with one Li(8)O3F trigonal pyramid, corners with three equivalent Li(12)O3F trigonal pyramids,  an edgeedge with one Li(14)O3F tetrahedra,  an edgeedge with one Li(9)O3F tetrahedra,  an edgeedge with one Fe(1)O4 tetrahedra, and  an edgeedge with one Li(8)O3F trigonal pyramid. In the fourteenth Li site, Li(14) is bonded to one O(1), one O(4), one O(8), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, corners with three equivalent Li(9)O3F tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid, corners with three equivalent Li(8)O3F trigonal pyramids,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(11)O4 tetrahedra,  an edgeedge with one Li(12)O3F trigonal pyramid, and  an edgeedge with one Li(4)O3F trigonal pyramid. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(6), and one O(9) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(14)O3F tetrahedra,  a cornercorner with one Li(6)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O3F trigonal pyramid,  a cornercorner with one Li(8)O3F trigonal pyramid, corners with three equivalent Li(10)O3F trigonal pyramids,  an edgeedge with one Li(13)O3F tetrahedra, and  an edgeedge with one Li(12)O3F trigonal pyramid. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(14)O3F tetrahedra,  a cornercorner with one Li(6)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra, corners with three equivalent Li(11)O4 tetrahedra,  a cornercorner with one Li(5)O3F trigonal pyramid,  a cornercorner with one Li(8)O3F trigonal pyramid, corners with three equivalent Li(4)O3F trigonal pyramids,  an edgeedge with one Li(2)O3F tetrahedra, and  an edgeedge with one Li(7)O3F trigonal pyramid. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(12), one Li(13), one Li(14), one Li(8), one Li(9), and one Fe(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(5), one Li(6), one Li(7), and one Fe(2) atom. In the third O site, O(3) is bonded to one Li(11), one Li(2), one Li(4), one Li(8), and one Fe(2) atom to form OLi4Fe trigonal bipyramids that share corners with three equivalent O(7)Li4Fe trigonal bipyramids and corners with three equivalent O(4)Li3Fe trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(11), one Li(14), one Li(4), and one Fe(2) atom to form distorted corner-sharing OLi3Fe trigonal pyramids. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), one Li(5), one Li(6), and one Li(7) atom. In the sixth O site, O(6) is bonded to one Li(10), one Li(3), one Li(5), and one Fe(1) atom to form distorted corner-sharing OLi3Fe trigonal pyramids. In the seventh O site, O(7) is bonded to one Li(11), one Li(4), one Li(7), one Li(9), and one Fe(2) atom to form OLi4Fe trigonal bipyramids that share corners with three equivalent O(3)Li4Fe trigonal bipyramids and corners with three equivalent O(4)Li3Fe trigonal pyramids. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Li(11), one Li(12), one Li(13), one Li(14), one Li(8), and one Li(9) atom. In the ninth O site, O(9) is bonded to one Li(1), one Li(10), one Li(13), one Li(3), and one Fe(1) atom to form OLi4Fe trigonal bipyramids that share corners with three equivalent O(10)Li4Fe trigonal bipyramids and corners with three equivalent O(6)Li3Fe trigonal pyramids. In the tenth O site, O(10) is bonded to one Li(10), one Li(12), one Li(3), one Li(6), and one Fe(1) atom to form OLi4Fe trigonal bipyramids that share corners with three equivalent O(9)Li4Fe trigonal bipyramids and corners with three equivalent O(6)Li3Fe trigonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 6-coordinate geometry to one Li(12), one Li(13), one Li(14), one Li(4), one Li(8), and one Li(9) atom. In the second F site, F(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(10), one Li(2), one Li(5), one Li(6), and one Li(7) atom.
Li7FeO5F is Aluminum carbonitride-derived structured and crystallizes in the triclinic P1 space group. There are fourteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(5), one O(9), and one F(2) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, corners with three equivalent Li(6)O3F tetrahedra,  a cornercorner with one Li(7)O3F trigonal pyramid, corners with three equivalent Li(5)O3F trigonal pyramids,  an edgeedge with one Li(2)O3F tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Li(10)O3F trigonal pyramid, and  an edgeedge with one Li(7)O3F trigonal pyramid. The Li(1)-O(2) bond length is 2.00 Å. The Li(1)-O(5) bond length is 1.94 Å. The Li(1)-O(9) bond length is 2.08 Å. The Li(1)-F(2) bond length is 2.00 Å. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(5), and one F(2) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(6)O3F tetrahedra,  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(10)O3F trigonal pyramid,  a cornercorner with one Li(4)O3F trigonal pyramid,  a cornercorner with one Li(5)O3F trigonal pyramid,  a cornercorner with one Li(8)O3F trigonal pyramid, corners with three equivalent Li(7)O3F trigonal pyramids,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra,  an edgeedge with one Fe(2)O4 tetrahedra, and  an edgeedge with one Li(5)O3F trigonal pyramid. The Li(2)-O(2) bond length is 2.10 Å. The Li(2)-O(3) bond length is 1.97 Å. The Li(2)-O(5) bond length is 1.91 Å. The Li(2)-F(2) bond length is 1.98 Å. In the third Li site, Li(3) is bonded to one O(10), one O(5), one O(6), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(2)O3F tetrahedra, corners with three equivalent Fe(1)O4 tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid,  a cornercorner with one Li(7)O3F trigonal pyramid, corners with three equivalent Li(10)O3F trigonal pyramids,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(5)O3F trigonal pyramid. The Li(3)-O(10) bond length is 2.00 Å. The Li(3)-O(5) bond length is 2.03 Å. The Li(3)-O(6) bond length is 1.98 Å. The Li(3)-O(9) bond length is 1.96 Å. In the fourth Li site, Li(4) is bonded to one O(3), one O(4), one O(7), and one F(1) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(2)O3F tetrahedra, corners with three equivalent Li(11)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid,  a cornercorner with one Li(7)O3F trigonal pyramid,  an edgeedge with one Li(14)O3F tetrahedra,  an edgeedge with one Li(9)O3F tetrahedra, and  an edgeedge with one Li(8)O3F trigonal pyramid. The Li(4)-O(3) bond length is 1.97 Å. The Li(4)-O(4) bond length is 1.92 Å. The Li(4)-O(7) bond length is 1.92 Å. The Li(4)-F(1) bond length is 2.25 Å. In the fifth Li site, Li(5) is bonded to one O(2), one O(5), one O(6), and one F(2) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Li(6)O3F tetrahedra,  a cornercorner with one Li(7)O3F trigonal pyramid,  an edgeedge with one Li(2)O3F tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Li(10)O3F trigonal pyramid, and  an edgeedge with one Li(7)O3F trigonal pyramid. The Li(5)-O(2) bond length is 1.97 Å. The Li(5)-O(5) bond length is 1.90 Å. The Li(5)-O(6) bond length is 1.89 Å. The Li(5)-F(2) bond length is 2.12 Å. In the sixth Li site, Li(6) is bonded to one O(10), one O(2), one O(5), and one F(2) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, corners with three equivalent Li(1)O3F tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid,  a cornercorner with one Li(7)O3F trigonal pyramid, corners with three equivalent Li(5)O3F trigonal pyramids,  an edgeedge with one Li(2)O3F tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Li(10)O3F trigonal pyramid, and  an edgeedge with one Li(7)O3F trigonal pyramid. The Li(6)-O(10) bond length is 1.98 Å. The Li(6)-O(2) bond length is 2.08 Å. The Li(6)-O(5) bond length is 1.92 Å. The Li(6)-F(2) bond length is 2.10 Å. In the seventh Li site, Li(7) is bonded to one O(2), one O(5), one O(7), and one F(2) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(6)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra,  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with three equivalent Li(2)O3F tetrahedra,  a cornercorner with one Li(10)O3F trigonal pyramid,  a cornercorner with one Li(4)O3F trigonal pyramid,  a cornercorner with one Li(5)O3F trigonal pyramid,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra,  an edgeedge with one Fe(2)O4 tetrahedra, and  an edgeedge with one Li(5)O3F trigonal pyramid. The Li(7)-O(2) bond length is 2.05 Å. The Li(7)-O(5) bond length is 1.92 Å. The Li(7)-O(7) bond length is 1.97 Å. The Li(7)-F(2) bond length is 2.05 Å. In the eighth Li site, Li(8) is bonded to one O(1), one O(3), one O(8), and one F(1) atom to form LiO3F trigonal pyramids that share  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(2)O3F tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, corners with three equivalent Li(14)O3F tetrahedra, corners with three equivalent Li(9)O3F tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(11)O4 tetrahedra,  an edgeedge with one Li(12)O3F trigonal pyramid, and  an edgeedge with one Li(4)O3F trigonal pyramid. The Li(8)-O(1) bond length is 2.09 Å. The Li(8)-O(3) bond length is 2.06 Å. The Li(8)-O(8) bond length is 1.93 Å. The Li(8)-F(1) bond length is 2.07 Å. In the ninth Li site, Li(9) is bonded to one O(1), one O(7), one O(8), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, corners with three equivalent Li(14)O3F tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid,  a cornercorner with one Li(7)O3F trigonal pyramid, corners with three equivalent Li(8)O3F trigonal pyramids,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(11)O4 tetrahedra,  an edgeedge with one Li(12)O3F trigonal pyramid, and  an edgeedge with one Li(4)O3F trigonal pyramid. The Li(9)-O(1) bond length is 2.01 Å. The Li(9)-O(7) bond length is 2.04 Å. The Li(9)-O(8) bond length is 1.91 Å. The Li(9)-F(1) bond length is 2.07 Å. In the tenth Li site, Li(10) is bonded to one O(10), one O(6), one O(9), and one F(2) atom to form LiO3F trigonal pyramids that share  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(2)O3F tetrahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Fe(1)O4 tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid,  a cornercorner with one Li(7)O3F trigonal pyramid,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(5)O3F trigonal pyramid. The Li(10)-O(10) bond length is 1.94 Å. The Li(10)-O(6) bond length is 1.91 Å. The Li(10)-O(9) bond length is 2.00 Å. The Li(10)-F(2) bond length is 2.24 Å. In the eleventh Li site, Li(11) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(2)O3F tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid,  a cornercorner with one Li(7)O3F trigonal pyramid, corners with three equivalent Li(4)O3F trigonal pyramids,  an edgeedge with one Li(14)O3F tetrahedra,  an edgeedge with one Li(9)O3F tetrahedra, and  an edgeedge with one Li(8)O3F trigonal pyramid. The Li(11)-O(3) bond length is 1.97 Å. The Li(11)-O(4) bond length is 1.96 Å. The Li(11)-O(7) bond length is 2.06 Å. The Li(11)-O(8) bond length is 2.03 Å. In the twelfth Li site, Li(12) is bonded to one O(1), one O(10), one O(8), and one F(1) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one Li(14)O3F tetrahedra,  a cornercorner with one Li(6)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra,  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with three equivalent Li(13)O3F tetrahedra,  a cornercorner with one Li(10)O3F trigonal pyramid,  a cornercorner with one Li(4)O3F trigonal pyramid,  a cornercorner with one Li(8)O3F trigonal pyramid,  an edgeedge with one Li(14)O3F tetrahedra,  an edgeedge with one Li(9)O3F tetrahedra,  an edgeedge with one Fe(1)O4 tetrahedra, and  an edgeedge with one Li(8)O3F trigonal pyramid. The Li(12)-O(1) bond length is 2.14 Å. The Li(12)-O(10) bond length is 1.95 Å. The Li(12)-O(8) bond length is 1.89 Å. The Li(12)-F(1) bond length is 2.00 Å. In the thirteenth Li site, Li(13) is bonded to one O(1), one O(8), one O(9), and one F(1) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(14)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra,  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(10)O3F trigonal pyramid,  a cornercorner with one Li(4)O3F trigonal pyramid,  a cornercorner with one Li(8)O3F trigonal pyramid, corners with three equivalent Li(12)O3F trigonal pyramids,  an edgeedge with one Li(14)O3F tetrahedra,  an edgeedge with one Li(9)O3F tetrahedra,  an edgeedge with one Fe(1)O4 tetrahedra, and  an edgeedge with one Li(8)O3F trigonal pyramid. The Li(13)-O(1) bond length is 2.02 Å. The Li(13)-O(8) bond length is 1.93 Å. The Li(13)-O(9) bond length is 1.98 Å. The Li(13)-F(1) bond length is 2.04 Å. In the fourteenth Li site, Li(14) is bonded to one O(1), one O(4), one O(8), and one F(1) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, corners with three equivalent Li(9)O3F tetrahedra,  a cornercorner with one Li(12)O3F trigonal pyramid, corners with three equivalent Li(8)O3F trigonal pyramids,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(11)O4 tetrahedra,  an edgeedge with one Li(12)O3F trigonal pyramid, and  an edgeedge with one Li(4)O3F trigonal pyramid. The Li(14)-O(1) bond length is 1.96 Å. The Li(14)-O(4) bond length is 1.87 Å. The Li(14)-O(8) bond length is 1.93 Å. The Li(14)-F(1) bond length is 2.06 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(6), and one O(9) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(14)O3F tetrahedra,  a cornercorner with one Li(6)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O3F trigonal pyramid,  a cornercorner with one Li(8)O3F trigonal pyramid, corners with three equivalent Li(10)O3F trigonal pyramids,  an edgeedge with one Li(13)O3F tetrahedra, and  an edgeedge with one Li(12)O3F trigonal pyramid. The Fe(1)-O(1) bond length is 1.87 Å. The Fe(1)-O(10) bond length is 1.85 Å. The Fe(1)-O(6) bond length is 1.78 Å. The Fe(1)-O(9) bond length is 1.83 Å. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(1)O3F tetrahedra,  a cornercorner with one Li(14)O3F tetrahedra,  a cornercorner with one Li(6)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra, corners with three equivalent Li(11)O4 tetrahedra,  a cornercorner with one Li(5)O3F trigonal pyramid,  a cornercorner with one Li(8)O3F trigonal pyramid, corners with three equivalent Li(4)O3F trigonal pyramids,  an edgeedge with one Li(2)O3F tetrahedra, and  an edgeedge with one Li(7)O3F trigonal pyramid. The Fe(2)-O(2) bond length is 1.87 Å. The Fe(2)-O(3) bond length is 1.84 Å. The Fe(2)-O(4) bond length is 1.78 Å. The Fe(2)-O(7) bond length is 1.84 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(12), one Li(13), one Li(14), one Li(8), one Li(9), and one Fe(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(5), one Li(6), one Li(7), and one Fe(2) atom. In the third O site, O(3) is bonded to one Li(11), one Li(2), one Li(4), one Li(8), and one Fe(2) atom to form OLi4Fe trigonal bipyramids that share corners with three equivalent O(7)Li4Fe trigonal bipyramids and corners with three equivalent O(4)Li3Fe trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(11), one Li(14), one Li(4), and one Fe(2) atom to form distorted corner-sharing OLi3Fe trigonal pyramids. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), one Li(5), one Li(6), and one Li(7) atom. In the sixth O site, O(6) is bonded to one Li(10), one Li(3), one Li(5), and one Fe(1) atom to form distorted corner-sharing OLi3Fe trigonal pyramids. In the seventh O site, O(7) is bonded to one Li(11), one Li(4), one Li(7), one Li(9), and one Fe(2) atom to form OLi4Fe trigonal bipyramids that share corners with three equivalent O(3)Li4Fe trigonal bipyramids and corners with three equivalent O(4)Li3Fe trigonal pyramids. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Li(11), one Li(12), one Li(13), one Li(14), one Li(8), and one Li(9) atom. In the ninth O site, O(9) is bonded to one Li(1), one Li(10), one Li(13), one Li(3), and one Fe(1) atom to form OLi4Fe trigonal bipyramids that share corners with three equivalent O(10)Li4Fe trigonal bipyramids and corners with three equivalent O(6)Li3Fe trigonal pyramids. In the tenth O site, O(10) is bonded to one Li(10), one Li(12), one Li(3), one Li(6), and one Fe(1) atom to form OLi4Fe trigonal bipyramids that share corners with three equivalent O(9)Li4Fe trigonal bipyramids and corners with three equivalent O(6)Li3Fe trigonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 6-coordinate geometry to one Li(12), one Li(13), one Li(14), one Li(4), one Li(8), and one Li(9) atom. In the second F site, F(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(10), one Li(2), one Li(5), one Li(6), and one Li(7) atom.