Li2FeO2F is Caswellsilverite-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(2), one O(3), one O(6), one O(7), one F(1), and one F(4) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(4)O4F2 octahedra,  a cornercorner with one Li(5)O4F2 octahedra,  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one Fe(2)O4F2 octahedra,  a cornercorner with one Fe(3)O4F2 octahedra,  a cornercorner with one Fe(4)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(5)O4F2 octahedra,  an edgeedge with one Fe(1)O4F2 octahedra,  an edgeedge with one Fe(2)O4F2 octahedra,  an edgeedge with one Fe(3)O4F2 octahedra,  an edgeedge with one Fe(4)O4F2 octahedra, edges with three equivalent Li(3)O4F2 octahedra, and edges with three equivalent Li(8)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 2-18°. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(5), one O(8), one F(2), and one F(3) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(4)O4F2 octahedra,  a cornercorner with one Li(5)O4F2 octahedra,  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one Fe(2)O4F2 octahedra,  a cornercorner with one Fe(3)O4F2 octahedra,  a cornercorner with one Fe(4)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(5)O4F2 octahedra,  an edgeedge with one Fe(1)O4F2 octahedra,  an edgeedge with one Fe(2)O4F2 octahedra,  an edgeedge with one Fe(3)O4F2 octahedra,  an edgeedge with one Fe(4)O4F2 octahedra, edges with three equivalent Li(6)O4F2 octahedra, and edges with three equivalent Li(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(6), one O(7), one F(1), and one F(4) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(4)O4F2 octahedra,  a cornercorner with one Li(5)O4F2 octahedra,  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one Fe(2)O4F2 octahedra,  a cornercorner with one Fe(3)O4F2 octahedra,  a cornercorner with one Fe(4)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(5)O4F2 octahedra,  an edgeedge with one Fe(1)O4F2 octahedra,  an edgeedge with one Fe(2)O4F2 octahedra,  an edgeedge with one Fe(3)O4F2 octahedra,  an edgeedge with one Fe(4)O4F2 octahedra, edges with three equivalent Li(1)O4F2 octahedra, and edges with three equivalent Li(8)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fourth Li site, Li(4) is bonded to one O(1), one O(3), one O(5), one O(7), one F(1), and one F(3) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(1)O4F2 octahedra,  a cornercorner with one Li(2)O4F2 octahedra,  a cornercorner with one Li(3)O4F2 octahedra,  a cornercorner with one Li(6)O4F2 octahedra,  a cornercorner with one Li(7)O4F2 octahedra,  a cornercorner with one Li(8)O4F2 octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(2)O4F2 octahedra,  an edgeedge with one Li(3)O4F2 octahedra,  an edgeedge with one Li(6)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra, edges with three equivalent Fe(1)O4F2 octahedra, and edges with three equivalent Fe(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the fifth Li site, Li(5) is bonded to one O(2), one O(4), one O(6), one O(8), one F(2), and one F(4) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(1)O4F2 octahedra,  a cornercorner with one Li(2)O4F2 octahedra,  a cornercorner with one Li(3)O4F2 octahedra,  a cornercorner with one Li(6)O4F2 octahedra,  a cornercorner with one Li(7)O4F2 octahedra,  a cornercorner with one Li(8)O4F2 octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(2)O4F2 octahedra,  an edgeedge with one Li(3)O4F2 octahedra,  an edgeedge with one Li(6)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra, edges with three equivalent Fe(3)O4F2 octahedra, and edges with three equivalent Fe(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the sixth Li site, Li(6) is bonded to one O(1), one O(4), one O(5), one O(8), one F(2), and one F(3) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(4)O4F2 octahedra,  a cornercorner with one Li(5)O4F2 octahedra,  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one Fe(2)O4F2 octahedra,  a cornercorner with one Fe(3)O4F2 octahedra,  a cornercorner with one Fe(4)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(5)O4F2 octahedra,  an edgeedge with one Fe(1)O4F2 octahedra,  an edgeedge with one Fe(2)O4F2 octahedra,  an edgeedge with one Fe(3)O4F2 octahedra,  an edgeedge with one Fe(4)O4F2 octahedra, edges with three equivalent Li(2)O4F2 octahedra, and edges with three equivalent Li(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 2-16°. In the seventh Li site, Li(7) is bonded to one O(1), one O(4), one O(5), one O(8), one F(2), and one F(3) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(4)O4F2 octahedra,  a cornercorner with one Li(5)O4F2 octahedra,  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one Fe(2)O4F2 octahedra,  a cornercorner with one Fe(3)O4F2 octahedra,  a cornercorner with one Fe(4)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(5)O4F2 octahedra,  an edgeedge with one Fe(1)O4F2 octahedra,  an edgeedge with one Fe(2)O4F2 octahedra,  an edgeedge with one Fe(3)O4F2 octahedra,  an edgeedge with one Fe(4)O4F2 octahedra, edges with three equivalent Li(2)O4F2 octahedra, and edges with three equivalent Li(6)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the eighth Li site, Li(8) is bonded to one O(2), one O(3), one O(6), one O(7), one F(1), and one F(4) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(4)O4F2 octahedra,  a cornercorner with one Li(5)O4F2 octahedra,  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one Fe(2)O4F2 octahedra,  a cornercorner with one Fe(3)O4F2 octahedra,  a cornercorner with one Fe(4)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(5)O4F2 octahedra,  an edgeedge with one Fe(1)O4F2 octahedra,  an edgeedge with one Fe(2)O4F2 octahedra,  an edgeedge with one Fe(3)O4F2 octahedra,  an edgeedge with one Fe(4)O4F2 octahedra, edges with three equivalent Li(1)O4F2 octahedra, and edges with three equivalent Li(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 0-18°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(5), one O(7), one F(1), and one F(3) atom to form FeO4F2 octahedra that share  a cornercorner with one Li(1)O4F2 octahedra,  a cornercorner with one Li(2)O4F2 octahedra,  a cornercorner with one Li(3)O4F2 octahedra,  a cornercorner with one Li(6)O4F2 octahedra,  a cornercorner with one Li(7)O4F2 octahedra,  a cornercorner with one Li(8)O4F2 octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(2)O4F2 octahedra,  an edgeedge with one Li(3)O4F2 octahedra,  an edgeedge with one Li(6)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra, edges with three equivalent Li(4)O4F2 octahedra, and edges with three equivalent Fe(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 1-18°. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(5), one O(7), one F(1), and one F(3) atom to form FeO4F2 octahedra that share  a cornercorner with one Li(1)O4F2 octahedra,  a cornercorner with one Li(2)O4F2 octahedra,  a cornercorner with one Li(3)O4F2 octahedra,  a cornercorner with one Li(6)O4F2 octahedra,  a cornercorner with one Li(7)O4F2 octahedra,  a cornercorner with one Li(8)O4F2 octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(2)O4F2 octahedra,  an edgeedge with one Li(3)O4F2 octahedra,  an edgeedge with one Li(6)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra, edges with three equivalent Li(4)O4F2 octahedra, and edges with three equivalent Fe(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the third Fe site, Fe(3) is bonded to one O(2), one O(4), one O(6), one O(8), one F(2), and one F(4) atom to form FeO4F2 octahedra that share  a cornercorner with one Li(1)O4F2 octahedra,  a cornercorner with one Li(2)O4F2 octahedra,  a cornercorner with one Li(3)O4F2 octahedra,  a cornercorner with one Li(6)O4F2 octahedra,  a cornercorner with one Li(7)O4F2 octahedra,  a cornercorner with one Li(8)O4F2 octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(2)O4F2 octahedra,  an edgeedge with one Li(3)O4F2 octahedra,  an edgeedge with one Li(6)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra, edges with three equivalent Li(5)O4F2 octahedra, and edges with three equivalent Fe(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(4), one O(6), one O(8), one F(2), and one F(4) atom to form FeO4F2 octahedra that share  a cornercorner with one Li(1)O4F2 octahedra,  a cornercorner with one Li(2)O4F2 octahedra,  a cornercorner with one Li(3)O4F2 octahedra,  a cornercorner with one Li(6)O4F2 octahedra,  a cornercorner with one Li(7)O4F2 octahedra,  a cornercorner with one Li(8)O4F2 octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(2)O4F2 octahedra,  an edgeedge with one Li(3)O4F2 octahedra,  an edgeedge with one Li(6)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra, edges with three equivalent Li(5)O4F2 octahedra, and edges with three equivalent Fe(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 2-18°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Li(6), one Li(7), one Fe(1), and one Fe(2) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(7)Li4Fe2 octahedra,  a cornercorner with one O(8)Li4Fe2 octahedra,  a cornercorner with one F(1)Li4Fe2 octahedra,  a cornercorner with one F(2)Li4Fe2 octahedra,  an edgeedge with one O(3)Li4Fe2 octahedra,  an edgeedge with one O(4)Li4Fe2 octahedra,  an edgeedge with one O(7)Li4Fe2 octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra,  an edgeedge with one F(1)Li4Fe2 octahedra,  an edgeedge with one F(2)Li4Fe2 octahedra, edges with three equivalent O(5)Li4Fe2 octahedra, and edges with three equivalent F(3)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 6-18°. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Li(5), one Li(8), one Fe(3), and one Fe(4) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(7)Li4Fe2 octahedra,  a cornercorner with one O(8)Li4Fe2 octahedra,  a cornercorner with one F(1)Li4Fe2 octahedra,  a cornercorner with one F(2)Li4Fe2 octahedra,  an edgeedge with one O(3)Li4Fe2 octahedra,  an edgeedge with one O(4)Li4Fe2 octahedra,  an edgeedge with one O(7)Li4Fe2 octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra,  an edgeedge with one F(1)Li4Fe2 octahedra,  an edgeedge with one F(2)Li4Fe2 octahedra, edges with three equivalent O(6)Li4Fe2 octahedra, and edges with three equivalent F(4)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-14°. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(4), one Li(8), one Fe(1), and one Fe(2) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(1)Li4Fe2 octahedra,  a cornercorner with one O(2)Li4Fe2 octahedra,  a cornercorner with one O(5)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one F(3)Li4Fe2 octahedra,  a cornercorner with one F(4)Li4Fe2 octahedra,  an edgeedge with one O(1)Li4Fe2 octahedra,  an edgeedge with one O(2)Li4Fe2 octahedra,  an edgeedge with one O(5)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra,  an edgeedge with one F(3)Li4Fe2 octahedra,  an edgeedge with one F(4)Li4Fe2 octahedra, edges with three equivalent O(7)Li4Fe2 octahedra, and edges with three equivalent F(1)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-14°. In the fourth O site, O(4) is bonded to one Li(2), one Li(5), one Li(6), one Li(7), one Fe(3), and one Fe(4) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(1)Li4Fe2 octahedra,  a cornercorner with one O(2)Li4Fe2 octahedra,  a cornercorner with one O(5)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one F(3)Li4Fe2 octahedra,  a cornercorner with one F(4)Li4Fe2 octahedra,  an edgeedge with one O(1)Li4Fe2 octahedra,  an edgeedge with one O(2)Li4Fe2 octahedra,  an edgeedge with one O(5)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra,  an edgeedge with one F(3)Li4Fe2 octahedra,  an edgeedge with one F(4)Li4Fe2 octahedra, edges with three equivalent O(8)Li4Fe2 octahedra, and edges with three equivalent F(2)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Li(6), one Li(7), one Fe(1), and one Fe(2) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(7)Li4Fe2 octahedra,  a cornercorner with one O(8)Li4Fe2 octahedra,  a cornercorner with one F(1)Li4Fe2 octahedra,  a cornercorner with one F(2)Li4Fe2 octahedra,  an edgeedge with one O(3)Li4Fe2 octahedra,  an edgeedge with one O(4)Li4Fe2 octahedra,  an edgeedge with one O(7)Li4Fe2 octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra,  an edgeedge with one F(1)Li4Fe2 octahedra,  an edgeedge with one F(2)Li4Fe2 octahedra, edges with three equivalent O(1)Li4Fe2 octahedra, and edges with three equivalent F(3)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Li(5), one Li(8), one Fe(3), and one Fe(4) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(7)Li4Fe2 octahedra,  a cornercorner with one O(8)Li4Fe2 octahedra,  a cornercorner with one F(1)Li4Fe2 octahedra,  a cornercorner with one F(2)Li4Fe2 octahedra,  an edgeedge with one O(3)Li4Fe2 octahedra,  an edgeedge with one O(4)Li4Fe2 octahedra,  an edgeedge with one O(7)Li4Fe2 octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra,  an edgeedge with one F(1)Li4Fe2 octahedra,  an edgeedge with one F(2)Li4Fe2 octahedra, edges with three equivalent O(2)Li4Fe2 octahedra, and edges with three equivalent F(4)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-19°. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Li(4), one Li(8), one Fe(1), and one Fe(2) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(1)Li4Fe2 octahedra,  a cornercorner with one O(2)Li4Fe2 octahedra,  a cornercorner with one O(5)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one F(3)Li4Fe2 octahedra,  a cornercorner with one F(4)Li4Fe2 octahedra,  an edgeedge with one O(1)Li4Fe2 octahedra,  an edgeedge with one O(2)Li4Fe2 octahedra,  an edgeedge with one O(5)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra,  an edgeedge with one F(3)Li4Fe2 octahedra,  an edgeedge with one F(4)Li4Fe2 octahedra, edges with three equivalent O(3)Li4Fe2 octahedra, and edges with three equivalent F(1)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-18°. In the eighth O site, O(8) is bonded to one Li(2), one Li(5), one Li(6), one Li(7), one Fe(3), and one Fe(4) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(1)Li4Fe2 octahedra,  a cornercorner with one O(2)Li4Fe2 octahedra,  a cornercorner with one O(5)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one F(3)Li4Fe2 octahedra,  a cornercorner with one F(4)Li4Fe2 octahedra,  an edgeedge with one O(1)Li4Fe2 octahedra,  an edgeedge with one O(2)Li4Fe2 octahedra,  an edgeedge with one O(5)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra,  an edgeedge with one F(3)Li4Fe2 octahedra,  an edgeedge with one F(4)Li4Fe2 octahedra, edges with three equivalent O(4)Li4Fe2 octahedra, and edges with three equivalent F(2)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-19°. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(3), one Li(4), one Li(8), one Fe(1), and one Fe(2) atom to form FLi4Fe2 octahedra that share  a cornercorner with one O(1)Li4Fe2 octahedra,  a cornercorner with one O(2)Li4Fe2 octahedra,  a cornercorner with one O(5)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one F(3)Li4Fe2 octahedra,  a cornercorner with one F(4)Li4Fe2 octahedra,  an edgeedge with one O(1)Li4Fe2 octahedra,  an edgeedge with one O(2)Li4Fe2 octahedra,  an edgeedge with one O(5)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra,  an edgeedge with one F(3)Li4Fe2 octahedra,  an edgeedge with one F(4)Li4Fe2 octahedra, edges with three equivalent O(3)Li4Fe2 octahedra, and edges with three equivalent O(7)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the second F site, F(2) is bonded to one Li(2), one Li(5), one Li(6), one Li(7), one Fe(3), and one Fe(4) atom to form FLi4Fe2 octahedra that share  a cornercorner with one O(1)Li4Fe2 octahedra,  a cornercorner with one O(2)Li4Fe2 octahedra,  a cornercorner with one O(5)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one F(3)Li4Fe2 octahedra,  a cornercorner with one F(4)Li4Fe2 octahedra,  an edgeedge with one O(1)Li4Fe2 octahedra,  an edgeedge with one O(2)Li4Fe2 octahedra,  an edgeedge with one O(5)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra,  an edgeedge with one F(3)Li4Fe2 octahedra,  an edgeedge with one F(4)Li4Fe2 octahedra, edges with three equivalent O(4)Li4Fe2 octahedra, and edges with three equivalent O(8)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the third F site, F(3) is bonded to one Li(2), one Li(4), one Li(6), one Li(7), one Fe(1), and one Fe(2) atom to form FLi4Fe2 octahedra that share  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(7)Li4Fe2 octahedra,  a cornercorner with one O(8)Li4Fe2 octahedra,  a cornercorner with one F(1)Li4Fe2 octahedra,  a cornercorner with one F(2)Li4Fe2 octahedra,  an edgeedge with one O(3)Li4Fe2 octahedra,  an edgeedge with one O(4)Li4Fe2 octahedra,  an edgeedge with one O(7)Li4Fe2 octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra,  an edgeedge with one F(1)Li4Fe2 octahedra,  an edgeedge with one F(2)Li4Fe2 octahedra, edges with three equivalent O(1)Li4Fe2 octahedra, and edges with three equivalent O(5)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fourth F site, F(4) is bonded to one Li(1), one Li(3), one Li(5), one Li(8), one Fe(3), and one Fe(4) atom to form FLi4Fe2 octahedra that share  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(7)Li4Fe2 octahedra,  a cornercorner with one O(8)Li4Fe2 octahedra,  a cornercorner with one F(1)Li4Fe2 octahedra,  a cornercorner with one F(2)Li4Fe2 octahedra,  an edgeedge with one O(3)Li4Fe2 octahedra,  an edgeedge with one O(4)Li4Fe2 octahedra,  an edgeedge with one O(7)Li4Fe2 octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra,  an edgeedge with one F(1)Li4Fe2 octahedra,  an edgeedge with one F(2)Li4Fe2 octahedra, edges with three equivalent O(2)Li4Fe2 octahedra, and edges with three equivalent O(6)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-13°.
Li2FeO2F is Caswellsilverite-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(2), one O(3), one O(6), one O(7), one F(1), and one F(4) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(4)O4F2 octahedra,  a cornercorner with one Li(5)O4F2 octahedra,  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one Fe(2)O4F2 octahedra,  a cornercorner with one Fe(3)O4F2 octahedra,  a cornercorner with one Fe(4)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(5)O4F2 octahedra,  an edgeedge with one Fe(1)O4F2 octahedra,  an edgeedge with one Fe(2)O4F2 octahedra,  an edgeedge with one Fe(3)O4F2 octahedra,  an edgeedge with one Fe(4)O4F2 octahedra, edges with three equivalent Li(3)O4F2 octahedra, and edges with three equivalent Li(8)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 2-18°. The Li(1)-O(2) bond length is 2.16 Å. The Li(1)-O(3) bond length is 2.15 Å. The Li(1)-O(6) bond length is 2.11 Å. The Li(1)-O(7) bond length is 2.12 Å. The Li(1)-F(1) bond length is 2.29 Å. The Li(1)-F(4) bond length is 2.26 Å. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(5), one O(8), one F(2), and one F(3) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(4)O4F2 octahedra,  a cornercorner with one Li(5)O4F2 octahedra,  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one Fe(2)O4F2 octahedra,  a cornercorner with one Fe(3)O4F2 octahedra,  a cornercorner with one Fe(4)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(5)O4F2 octahedra,  an edgeedge with one Fe(1)O4F2 octahedra,  an edgeedge with one Fe(2)O4F2 octahedra,  an edgeedge with one Fe(3)O4F2 octahedra,  an edgeedge with one Fe(4)O4F2 octahedra, edges with three equivalent Li(6)O4F2 octahedra, and edges with three equivalent Li(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. The Li(2)-O(1) bond length is 2.03 Å. The Li(2)-O(4) bond length is 2.16 Å. The Li(2)-O(5) bond length is 2.07 Å. The Li(2)-O(8) bond length is 2.16 Å. The Li(2)-F(2) bond length is 2.22 Å. The Li(2)-F(3) bond length is 2.21 Å. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(6), one O(7), one F(1), and one F(4) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(4)O4F2 octahedra,  a cornercorner with one Li(5)O4F2 octahedra,  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one Fe(2)O4F2 octahedra,  a cornercorner with one Fe(3)O4F2 octahedra,  a cornercorner with one Fe(4)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(5)O4F2 octahedra,  an edgeedge with one Fe(1)O4F2 octahedra,  an edgeedge with one Fe(2)O4F2 octahedra,  an edgeedge with one Fe(3)O4F2 octahedra,  an edgeedge with one Fe(4)O4F2 octahedra, edges with three equivalent Li(1)O4F2 octahedra, and edges with three equivalent Li(8)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. The Li(3)-O(2) bond length is 2.11 Å. The Li(3)-O(3) bond length is 2.11 Å. The Li(3)-O(6) bond length is 2.05 Å. The Li(3)-O(7) bond length is 2.34 Å. The Li(3)-F(1) bond length is 2.13 Å. The Li(3)-F(4) bond length is 2.08 Å. In the fourth Li site, Li(4) is bonded to one O(1), one O(3), one O(5), one O(7), one F(1), and one F(3) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(1)O4F2 octahedra,  a cornercorner with one Li(2)O4F2 octahedra,  a cornercorner with one Li(3)O4F2 octahedra,  a cornercorner with one Li(6)O4F2 octahedra,  a cornercorner with one Li(7)O4F2 octahedra,  a cornercorner with one Li(8)O4F2 octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(2)O4F2 octahedra,  an edgeedge with one Li(3)O4F2 octahedra,  an edgeedge with one Li(6)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra, edges with three equivalent Fe(1)O4F2 octahedra, and edges with three equivalent Fe(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. The Li(4)-O(1) bond length is 2.07 Å. The Li(4)-O(3) bond length is 2.17 Å. The Li(4)-O(5) bond length is 2.11 Å. The Li(4)-O(7) bond length is 2.09 Å. The Li(4)-F(1) bond length is 2.25 Å. The Li(4)-F(3) bond length is 2.17 Å. In the fifth Li site, Li(5) is bonded to one O(2), one O(4), one O(6), one O(8), one F(2), and one F(4) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(1)O4F2 octahedra,  a cornercorner with one Li(2)O4F2 octahedra,  a cornercorner with one Li(3)O4F2 octahedra,  a cornercorner with one Li(6)O4F2 octahedra,  a cornercorner with one Li(7)O4F2 octahedra,  a cornercorner with one Li(8)O4F2 octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(2)O4F2 octahedra,  an edgeedge with one Li(3)O4F2 octahedra,  an edgeedge with one Li(6)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra, edges with three equivalent Fe(3)O4F2 octahedra, and edges with three equivalent Fe(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. The Li(5)-O(2) bond length is 2.12 Å. The Li(5)-O(4) bond length is 2.12 Å. The Li(5)-O(6) bond length is 2.08 Å. The Li(5)-O(8) bond length is 2.10 Å. The Li(5)-F(2) bond length is 2.26 Å. The Li(5)-F(4) bond length is 2.24 Å. In the sixth Li site, Li(6) is bonded to one O(1), one O(4), one O(5), one O(8), one F(2), and one F(3) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(4)O4F2 octahedra,  a cornercorner with one Li(5)O4F2 octahedra,  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one Fe(2)O4F2 octahedra,  a cornercorner with one Fe(3)O4F2 octahedra,  a cornercorner with one Fe(4)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(5)O4F2 octahedra,  an edgeedge with one Fe(1)O4F2 octahedra,  an edgeedge with one Fe(2)O4F2 octahedra,  an edgeedge with one Fe(3)O4F2 octahedra,  an edgeedge with one Fe(4)O4F2 octahedra, edges with three equivalent Li(2)O4F2 octahedra, and edges with three equivalent Li(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 2-16°. The Li(6)-O(1) bond length is 2.19 Å. The Li(6)-O(4) bond length is 2.13 Å. The Li(6)-O(5) bond length is 2.03 Å. The Li(6)-O(8) bond length is 2.28 Å. The Li(6)-F(2) bond length is 2.15 Å. The Li(6)-F(3) bond length is 2.26 Å. In the seventh Li site, Li(7) is bonded to one O(1), one O(4), one O(5), one O(8), one F(2), and one F(3) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(4)O4F2 octahedra,  a cornercorner with one Li(5)O4F2 octahedra,  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one Fe(2)O4F2 octahedra,  a cornercorner with one Fe(3)O4F2 octahedra,  a cornercorner with one Fe(4)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(5)O4F2 octahedra,  an edgeedge with one Fe(1)O4F2 octahedra,  an edgeedge with one Fe(2)O4F2 octahedra,  an edgeedge with one Fe(3)O4F2 octahedra,  an edgeedge with one Fe(4)O4F2 octahedra, edges with three equivalent Li(2)O4F2 octahedra, and edges with three equivalent Li(6)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. The Li(7)-O(1) bond length is 2.33 Å. The Li(7)-O(4) bond length is 2.08 Å. The Li(7)-O(5) bond length is 2.27 Å. The Li(7)-O(8) bond length is 2.10 Å. The Li(7)-F(2) bond length is 2.06 Å. The Li(7)-F(3) bond length is 2.13 Å. In the eighth Li site, Li(8) is bonded to one O(2), one O(3), one O(6), one O(7), one F(1), and one F(4) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(4)O4F2 octahedra,  a cornercorner with one Li(5)O4F2 octahedra,  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one Fe(2)O4F2 octahedra,  a cornercorner with one Fe(3)O4F2 octahedra,  a cornercorner with one Fe(4)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(5)O4F2 octahedra,  an edgeedge with one Fe(1)O4F2 octahedra,  an edgeedge with one Fe(2)O4F2 octahedra,  an edgeedge with one Fe(3)O4F2 octahedra,  an edgeedge with one Fe(4)O4F2 octahedra, edges with three equivalent Li(1)O4F2 octahedra, and edges with three equivalent Li(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 0-18°. The Li(8)-O(2) bond length is 2.15 Å. The Li(8)-O(3) bond length is 2.02 Å. The Li(8)-O(6) bond length is 2.26 Å. The Li(8)-O(7) bond length is 2.07 Å. The Li(8)-F(1) bond length is 2.20 Å. The Li(8)-F(4) bond length is 2.28 Å. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(5), one O(7), one F(1), and one F(3) atom to form FeO4F2 octahedra that share  a cornercorner with one Li(1)O4F2 octahedra,  a cornercorner with one Li(2)O4F2 octahedra,  a cornercorner with one Li(3)O4F2 octahedra,  a cornercorner with one Li(6)O4F2 octahedra,  a cornercorner with one Li(7)O4F2 octahedra,  a cornercorner with one Li(8)O4F2 octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(2)O4F2 octahedra,  an edgeedge with one Li(3)O4F2 octahedra,  an edgeedge with one Li(6)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra, edges with three equivalent Li(4)O4F2 octahedra, and edges with three equivalent Fe(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 1-18°. The Fe(1)-O(1) bond length is 2.00 Å. The Fe(1)-O(3) bond length is 1.94 Å. The Fe(1)-O(5) bond length is 1.95 Å. The Fe(1)-O(7) bond length is 1.99 Å. The Fe(1)-F(1) bond length is 2.23 Å. The Fe(1)-F(3) bond length is 2.31 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(5), one O(7), one F(1), and one F(3) atom to form FeO4F2 octahedra that share  a cornercorner with one Li(1)O4F2 octahedra,  a cornercorner with one Li(2)O4F2 octahedra,  a cornercorner with one Li(3)O4F2 octahedra,  a cornercorner with one Li(6)O4F2 octahedra,  a cornercorner with one Li(7)O4F2 octahedra,  a cornercorner with one Li(8)O4F2 octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(2)O4F2 octahedra,  an edgeedge with one Li(3)O4F2 octahedra,  an edgeedge with one Li(6)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra, edges with three equivalent Li(4)O4F2 octahedra, and edges with three equivalent Fe(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. The Fe(2)-O(1) bond length is 1.98 Å. The Fe(2)-O(3) bond length is 2.04 Å. The Fe(2)-O(5) bond length is 2.04 Å. The Fe(2)-O(7) bond length is 1.99 Å. The Fe(2)-F(1) bond length is 2.11 Å. The Fe(2)-F(3) bond length is 2.09 Å. In the third Fe site, Fe(3) is bonded to one O(2), one O(4), one O(6), one O(8), one F(2), and one F(4) atom to form FeO4F2 octahedra that share  a cornercorner with one Li(1)O4F2 octahedra,  a cornercorner with one Li(2)O4F2 octahedra,  a cornercorner with one Li(3)O4F2 octahedra,  a cornercorner with one Li(6)O4F2 octahedra,  a cornercorner with one Li(7)O4F2 octahedra,  a cornercorner with one Li(8)O4F2 octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(2)O4F2 octahedra,  an edgeedge with one Li(3)O4F2 octahedra,  an edgeedge with one Li(6)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra, edges with three equivalent Li(5)O4F2 octahedra, and edges with three equivalent Fe(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. The Fe(3)-O(2) bond length is 2.02 Å. The Fe(3)-O(4) bond length is 2.04 Å. The Fe(3)-O(6) bond length is 2.00 Å. The Fe(3)-O(8) bond length is 1.98 Å. The Fe(3)-F(2) bond length is 2.11 Å. The Fe(3)-F(4) bond length is 2.09 Å. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(4), one O(6), one O(8), one F(2), and one F(4) atom to form FeO4F2 octahedra that share  a cornercorner with one Li(1)O4F2 octahedra,  a cornercorner with one Li(2)O4F2 octahedra,  a cornercorner with one Li(3)O4F2 octahedra,  a cornercorner with one Li(6)O4F2 octahedra,  a cornercorner with one Li(7)O4F2 octahedra,  a cornercorner with one Li(8)O4F2 octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(2)O4F2 octahedra,  an edgeedge with one Li(3)O4F2 octahedra,  an edgeedge with one Li(6)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra, edges with three equivalent Li(5)O4F2 octahedra, and edges with three equivalent Fe(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 2-18°. The Fe(4)-O(2) bond length is 1.94 Å. The Fe(4)-O(4) bond length is 1.94 Å. The Fe(4)-O(6) bond length is 2.00 Å. The Fe(4)-O(8) bond length is 1.98 Å. The Fe(4)-F(2) bond length is 2.32 Å. The Fe(4)-F(4) bond length is 2.28 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Li(6), one Li(7), one Fe(1), and one Fe(2) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(7)Li4Fe2 octahedra,  a cornercorner with one O(8)Li4Fe2 octahedra,  a cornercorner with one F(1)Li4Fe2 octahedra,  a cornercorner with one F(2)Li4Fe2 octahedra,  an edgeedge with one O(3)Li4Fe2 octahedra,  an edgeedge with one O(4)Li4Fe2 octahedra,  an edgeedge with one O(7)Li4Fe2 octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra,  an edgeedge with one F(1)Li4Fe2 octahedra,  an edgeedge with one F(2)Li4Fe2 octahedra, edges with three equivalent O(5)Li4Fe2 octahedra, and edges with three equivalent F(3)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 6-18°. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Li(5), one Li(8), one Fe(3), and one Fe(4) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(7)Li4Fe2 octahedra,  a cornercorner with one O(8)Li4Fe2 octahedra,  a cornercorner with one F(1)Li4Fe2 octahedra,  a cornercorner with one F(2)Li4Fe2 octahedra,  an edgeedge with one O(3)Li4Fe2 octahedra,  an edgeedge with one O(4)Li4Fe2 octahedra,  an edgeedge with one O(7)Li4Fe2 octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra,  an edgeedge with one F(1)Li4Fe2 octahedra,  an edgeedge with one F(2)Li4Fe2 octahedra, edges with three equivalent O(6)Li4Fe2 octahedra, and edges with three equivalent F(4)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-14°. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(4), one Li(8), one Fe(1), and one Fe(2) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(1)Li4Fe2 octahedra,  a cornercorner with one O(2)Li4Fe2 octahedra,  a cornercorner with one O(5)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one F(3)Li4Fe2 octahedra,  a cornercorner with one F(4)Li4Fe2 octahedra,  an edgeedge with one O(1)Li4Fe2 octahedra,  an edgeedge with one O(2)Li4Fe2 octahedra,  an edgeedge with one O(5)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra,  an edgeedge with one F(3)Li4Fe2 octahedra,  an edgeedge with one F(4)Li4Fe2 octahedra, edges with three equivalent O(7)Li4Fe2 octahedra, and edges with three equivalent F(1)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-14°. In the fourth O site, O(4) is bonded to one Li(2), one Li(5), one Li(6), one Li(7), one Fe(3), and one Fe(4) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(1)Li4Fe2 octahedra,  a cornercorner with one O(2)Li4Fe2 octahedra,  a cornercorner with one O(5)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one F(3)Li4Fe2 octahedra,  a cornercorner with one F(4)Li4Fe2 octahedra,  an edgeedge with one O(1)Li4Fe2 octahedra,  an edgeedge with one O(2)Li4Fe2 octahedra,  an edgeedge with one O(5)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra,  an edgeedge with one F(3)Li4Fe2 octahedra,  an edgeedge with one F(4)Li4Fe2 octahedra, edges with three equivalent O(8)Li4Fe2 octahedra, and edges with three equivalent F(2)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Li(6), one Li(7), one Fe(1), and one Fe(2) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(7)Li4Fe2 octahedra,  a cornercorner with one O(8)Li4Fe2 octahedra,  a cornercorner with one F(1)Li4Fe2 octahedra,  a cornercorner with one F(2)Li4Fe2 octahedra,  an edgeedge with one O(3)Li4Fe2 octahedra,  an edgeedge with one O(4)Li4Fe2 octahedra,  an edgeedge with one O(7)Li4Fe2 octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra,  an edgeedge with one F(1)Li4Fe2 octahedra,  an edgeedge with one F(2)Li4Fe2 octahedra, edges with three equivalent O(1)Li4Fe2 octahedra, and edges with three equivalent F(3)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Li(5), one Li(8), one Fe(3), and one Fe(4) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(7)Li4Fe2 octahedra,  a cornercorner with one O(8)Li4Fe2 octahedra,  a cornercorner with one F(1)Li4Fe2 octahedra,  a cornercorner with one F(2)Li4Fe2 octahedra,  an edgeedge with one O(3)Li4Fe2 octahedra,  an edgeedge with one O(4)Li4Fe2 octahedra,  an edgeedge with one O(7)Li4Fe2 octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra,  an edgeedge with one F(1)Li4Fe2 octahedra,  an edgeedge with one F(2)Li4Fe2 octahedra, edges with three equivalent O(2)Li4Fe2 octahedra, and edges with three equivalent F(4)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-19°. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Li(4), one Li(8), one Fe(1), and one Fe(2) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(1)Li4Fe2 octahedra,  a cornercorner with one O(2)Li4Fe2 octahedra,  a cornercorner with one O(5)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one F(3)Li4Fe2 octahedra,  a cornercorner with one F(4)Li4Fe2 octahedra,  an edgeedge with one O(1)Li4Fe2 octahedra,  an edgeedge with one O(2)Li4Fe2 octahedra,  an edgeedge with one O(5)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra,  an edgeedge with one F(3)Li4Fe2 octahedra,  an edgeedge with one F(4)Li4Fe2 octahedra, edges with three equivalent O(3)Li4Fe2 octahedra, and edges with three equivalent F(1)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-18°. In the eighth O site, O(8) is bonded to one Li(2), one Li(5), one Li(6), one Li(7), one Fe(3), and one Fe(4) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(1)Li4Fe2 octahedra,  a cornercorner with one O(2)Li4Fe2 octahedra,  a cornercorner with one O(5)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one F(3)Li4Fe2 octahedra,  a cornercorner with one F(4)Li4Fe2 octahedra,  an edgeedge with one O(1)Li4Fe2 octahedra,  an edgeedge with one O(2)Li4Fe2 octahedra,  an edgeedge with one O(5)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra,  an edgeedge with one F(3)Li4Fe2 octahedra,  an edgeedge with one F(4)Li4Fe2 octahedra, edges with three equivalent O(4)Li4Fe2 octahedra, and edges with three equivalent F(2)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-19°. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(3), one Li(4), one Li(8), one Fe(1), and one Fe(2) atom to form FLi4Fe2 octahedra that share  a cornercorner with one O(1)Li4Fe2 octahedra,  a cornercorner with one O(2)Li4Fe2 octahedra,  a cornercorner with one O(5)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one F(3)Li4Fe2 octahedra,  a cornercorner with one F(4)Li4Fe2 octahedra,  an edgeedge with one O(1)Li4Fe2 octahedra,  an edgeedge with one O(2)Li4Fe2 octahedra,  an edgeedge with one O(5)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra,  an edgeedge with one F(3)Li4Fe2 octahedra,  an edgeedge with one F(4)Li4Fe2 octahedra, edges with three equivalent O(3)Li4Fe2 octahedra, and edges with three equivalent O(7)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the second F site, F(2) is bonded to one Li(2), one Li(5), one Li(6), one Li(7), one Fe(3), and one Fe(4) atom to form FLi4Fe2 octahedra that share  a cornercorner with one O(1)Li4Fe2 octahedra,  a cornercorner with one O(2)Li4Fe2 octahedra,  a cornercorner with one O(5)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  a cornercorner with one F(3)Li4Fe2 octahedra,  a cornercorner with one F(4)Li4Fe2 octahedra,  an edgeedge with one O(1)Li4Fe2 octahedra,  an edgeedge with one O(2)Li4Fe2 octahedra,  an edgeedge with one O(5)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra,  an edgeedge with one F(3)Li4Fe2 octahedra,  an edgeedge with one F(4)Li4Fe2 octahedra, edges with three equivalent O(4)Li4Fe2 octahedra, and edges with three equivalent O(8)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the third F site, F(3) is bonded to one Li(2), one Li(4), one Li(6), one Li(7), one Fe(1), and one Fe(2) atom to form FLi4Fe2 octahedra that share  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(7)Li4Fe2 octahedra,  a cornercorner with one O(8)Li4Fe2 octahedra,  a cornercorner with one F(1)Li4Fe2 octahedra,  a cornercorner with one F(2)Li4Fe2 octahedra,  an edgeedge with one O(3)Li4Fe2 octahedra,  an edgeedge with one O(4)Li4Fe2 octahedra,  an edgeedge with one O(7)Li4Fe2 octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra,  an edgeedge with one F(1)Li4Fe2 octahedra,  an edgeedge with one F(2)Li4Fe2 octahedra, edges with three equivalent O(1)Li4Fe2 octahedra, and edges with three equivalent O(5)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fourth F site, F(4) is bonded to one Li(1), one Li(3), one Li(5), one Li(8), one Fe(3), and one Fe(4) atom to form FLi4Fe2 octahedra that share  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(7)Li4Fe2 octahedra,  a cornercorner with one O(8)Li4Fe2 octahedra,  a cornercorner with one F(1)Li4Fe2 octahedra,  a cornercorner with one F(2)Li4Fe2 octahedra,  an edgeedge with one O(3)Li4Fe2 octahedra,  an edgeedge with one O(4)Li4Fe2 octahedra,  an edgeedge with one O(7)Li4Fe2 octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra,  an edgeedge with one F(1)Li4Fe2 octahedra,  an edgeedge with one F(2)Li4Fe2 octahedra, edges with three equivalent O(2)Li4Fe2 octahedra, and edges with three equivalent O(6)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-13°.