Fe4O7F is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one O(6), two equivalent O(1), and one F(1) atom to form FeO5F octahedra that share corners with four equivalent Fe(4)O5F octahedra, corners with four equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O4F2 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with four equivalent Fe(4)O5F octahedra, corners with four equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-51°. In the third Fe site, Fe(3) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Fe(5)O4F2 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(1)O5F octahedra,  an edgeedge with one Fe(4)O5F octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the fourth Fe site, Fe(4) is bonded to one O(6), two equivalent O(1), two equivalent O(5), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(5)O4F2 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(1)O5F octahedra,  an edgeedge with one Fe(4)O5F octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the fifth Fe site, Fe(5) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent F(1) atoms to form FeO4F2 octahedra that share corners with four equivalent Fe(4)O5F octahedra, corners with four equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(5) and two equivalent Fe(3) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(4) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(5) atom. F(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(5) atom.
Fe4O7F is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one O(6), two equivalent O(1), and one F(1) atom to form FeO5F octahedra that share corners with four equivalent Fe(4)O5F octahedra, corners with four equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(5)O4F2 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. The Fe(1)-O(2) bond length is 1.95 Å. The Fe(1)-O(3) bond length is 1.97 Å. The Fe(1)-O(6) bond length is 1.94 Å. Both Fe(1)-O(1) bond lengths are 1.98 Å. The Fe(1)-F(1) bond length is 2.09 Å. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with four equivalent Fe(4)O5F octahedra, corners with four equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-51°. Both Fe(2)-O(2) bond lengths are 1.94 Å. Both Fe(2)-O(3) bond lengths are 1.91 Å. Both Fe(2)-O(5) bond lengths are 2.01 Å. In the third Fe site, Fe(3) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Fe(5)O4F2 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(1)O5F octahedra,  an edgeedge with one Fe(4)O5F octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. The Fe(3)-O(2) bond length is 2.06 Å. The Fe(3)-O(3) bond length is 2.05 Å. Both Fe(3)-O(1) bond lengths are 1.96 Å. Both Fe(3)-O(4) bond lengths are 1.96 Å. In the fourth Fe site, Fe(4) is bonded to one O(6), two equivalent O(1), two equivalent O(5), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(5)O4F2 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(1)O5F octahedra,  an edgeedge with one Fe(4)O5F octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. The Fe(4)-O(6) bond length is 1.97 Å. Both Fe(4)-O(1) bond lengths are 1.94 Å. Both Fe(4)-O(5) bond lengths are 1.93 Å. The Fe(4)-F(1) bond length is 2.13 Å. In the fifth Fe site, Fe(5) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent F(1) atoms to form FeO4F2 octahedra that share corners with four equivalent Fe(4)O5F octahedra, corners with four equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 50-51°. Both Fe(5)-O(4) bond lengths are 1.95 Å. Both Fe(5)-O(6) bond lengths are 1.92 Å. Both Fe(5)-F(1) bond lengths are 2.05 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(5) and two equivalent Fe(3) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(4) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(5) atom. F(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(5) atom.