Fe5O3F7 is Hydrophilite-derived structured and crystallizes in the monoclinic Pm space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one F(1), one F(2), one F(3), one F(7), and one F(9) atom to form FeOF5 octahedra that share corners with four equivalent Fe(4)O2F4 octahedra, corners with four equivalent Fe(6)O2F4 octahedra,  an edgeedge with one Fe(2)O2F4 octahedra, and  an edgeedge with one Fe(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one F(2), one F(5), one F(8), and one F(9) atom to form FeO2F4 octahedra that share corners with four equivalent Fe(5)O2F4 octahedra, corners with four equivalent Fe(6)O2F4 octahedra,  an edgeedge with one Fe(3)O2F4 octahedra, and  an edgeedge with one Fe(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-61°. In the third Fe site, Fe(3) is bonded to two equivalent O(1), one F(4), one F(6), and two equivalent F(8) atoms to form a mixture of edge and corner-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(3), one F(1), one F(7), and two equivalent F(3) atoms to form FeO2F4 octahedra that share corners with eight equivalent Fe(1)OF5 octahedra and edges with two equivalent Fe(6)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(2), one F(4), one F(5), one F(6), and one F(8) atom to form a mixture of edge and corner-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. In the sixth Fe site, Fe(6) is bonded to one O(2), one O(3), one F(2), one F(3), one F(5), and one F(9) atom to form FeO2F4 octahedra that share corners with four equivalent Fe(2)O2F4 octahedra, corners with four equivalent Fe(1)OF5 octahedra,  an edgeedge with one Fe(4)O2F4 octahedra, and  an edgeedge with one Fe(5)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(5) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(4) and two equivalent Fe(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(6) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(5) atoms. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(5), and one Fe(6) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(5) atoms. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Fe(4) and two equivalent Fe(1) atoms. In the eighth F site, F(8) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(3), and one Fe(5) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(6) atom.
Fe5O3F7 is Hydrophilite-derived structured and crystallizes in the monoclinic Pm space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one F(1), one F(2), one F(3), one F(7), and one F(9) atom to form FeOF5 octahedra that share corners with four equivalent Fe(4)O2F4 octahedra, corners with four equivalent Fe(6)O2F4 octahedra,  an edgeedge with one Fe(2)O2F4 octahedra, and  an edgeedge with one Fe(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. The Fe(1)-O(3) bond length is 2.04 Å. The Fe(1)-F(1) bond length is 2.13 Å. The Fe(1)-F(2) bond length is 2.12 Å. The Fe(1)-F(3) bond length is 2.14 Å. The Fe(1)-F(7) bond length is 2.13 Å. The Fe(1)-F(9) bond length is 2.12 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one F(2), one F(5), one F(8), and one F(9) atom to form FeO2F4 octahedra that share corners with four equivalent Fe(5)O2F4 octahedra, corners with four equivalent Fe(6)O2F4 octahedra,  an edgeedge with one Fe(3)O2F4 octahedra, and  an edgeedge with one Fe(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-61°. The Fe(2)-O(1) bond length is 1.89 Å. The Fe(2)-O(2) bond length is 1.90 Å. The Fe(2)-F(2) bond length is 2.09 Å. The Fe(2)-F(5) bond length is 2.14 Å. The Fe(2)-F(8) bond length is 2.05 Å. The Fe(2)-F(9) bond length is 2.15 Å. In the third Fe site, Fe(3) is bonded to two equivalent O(1), one F(4), one F(6), and two equivalent F(8) atoms to form a mixture of edge and corner-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. Both Fe(3)-O(1) bond lengths are 1.90 Å. The Fe(3)-F(4) bond length is 2.00 Å. The Fe(3)-F(6) bond length is 2.05 Å. Both Fe(3)-F(8) bond lengths are 2.15 Å. In the fourth Fe site, Fe(4) is bonded to two equivalent O(3), one F(1), one F(7), and two equivalent F(3) atoms to form FeO2F4 octahedra that share corners with eight equivalent Fe(1)OF5 octahedra and edges with two equivalent Fe(6)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. Both Fe(4)-O(3) bond lengths are 1.90 Å. The Fe(4)-F(1) bond length is 2.05 Å. The Fe(4)-F(7) bond length is 2.05 Å. Both Fe(4)-F(3) bond lengths are 2.15 Å. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(2), one F(4), one F(5), one F(6), and one F(8) atom to form a mixture of edge and corner-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. The Fe(5)-O(1) bond length is 2.07 Å. The Fe(5)-O(2) bond length is 2.03 Å. The Fe(5)-F(4) bond length is 2.12 Å. The Fe(5)-F(5) bond length is 2.20 Å. The Fe(5)-F(6) bond length is 2.13 Å. The Fe(5)-F(8) bond length is 2.24 Å. In the sixth Fe site, Fe(6) is bonded to one O(2), one O(3), one F(2), one F(3), one F(5), and one F(9) atom to form FeO2F4 octahedra that share corners with four equivalent Fe(2)O2F4 octahedra, corners with four equivalent Fe(1)OF5 octahedra,  an edgeedge with one Fe(4)O2F4 octahedra, and  an edgeedge with one Fe(5)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. The Fe(6)-O(2) bond length is 1.91 Å. The Fe(6)-O(3) bond length is 1.93 Å. The Fe(6)-F(2) bond length is 2.10 Å. The Fe(6)-F(3) bond length is 2.09 Å. The Fe(6)-F(5) bond length is 2.05 Å. The Fe(6)-F(9) bond length is 2.07 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(5) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(4) and two equivalent Fe(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(6) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(5) atoms. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(5), and one Fe(6) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(5) atoms. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Fe(4) and two equivalent Fe(1) atoms. In the eighth F site, F(8) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(3), and one Fe(5) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(6) atom.