Fe5O3F7 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), one F(1), one F(4), and two equivalent F(2) atoms to form FeO2F4 octahedra that share corners with four equivalent Fe(1)O2F4 octahedra, corners with four equivalent Fe(3)O2F4 octahedra,  an edgeedge with one Fe(3)O2F4 octahedra, and  an edgeedge with one Fe(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. In the second Fe site, Fe(2) is bonded to one O(2), one F(3), two equivalent F(1), and two equivalent F(4) atoms to form a mixture of corner and edge-sharing FeOF5 octahedra. The corner-sharing octahedral tilt angles range from 45-59°. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom to form FeO2F4 octahedra that share corners with four equivalent Fe(1)O2F4 octahedra, corners with four equivalent Fe(2)OF5 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra, and  an edgeedge with one Fe(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(3) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(3) and two equivalent Fe(1) atoms. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Fe(2) and two equivalent Fe(3) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom.
Fe5O3F7 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), one F(1), one F(4), and two equivalent F(2) atoms to form FeO2F4 octahedra that share corners with four equivalent Fe(1)O2F4 octahedra, corners with four equivalent Fe(3)O2F4 octahedra,  an edgeedge with one Fe(3)O2F4 octahedra, and  an edgeedge with one Fe(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. Both Fe(1)-O(1) bond lengths are 1.92 Å. The Fe(1)-F(1) bond length is 2.04 Å. The Fe(1)-F(4) bond length is 2.08 Å. There is one shorter (2.04 Å) and one longer (2.17 Å) Fe(1)-F(2) bond length. In the second Fe site, Fe(2) is bonded to one O(2), one F(3), two equivalent F(1), and two equivalent F(4) atoms to form a mixture of corner and edge-sharing FeOF5 octahedra. The corner-sharing octahedral tilt angles range from 45-59°. The Fe(2)-O(2) bond length is 1.97 Å. The Fe(2)-F(3) bond length is 2.07 Å. Both Fe(2)-F(1) bond lengths are 2.17 Å. Both Fe(2)-F(4) bond lengths are 2.17 Å. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom to form FeO2F4 octahedra that share corners with four equivalent Fe(1)O2F4 octahedra, corners with four equivalent Fe(2)OF5 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra, and  an edgeedge with one Fe(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. The Fe(3)-O(1) bond length is 2.01 Å. The Fe(3)-O(2) bond length is 1.92 Å. The Fe(3)-F(1) bond length is 2.09 Å. The Fe(3)-F(2) bond length is 2.29 Å. The Fe(3)-F(3) bond length is 2.16 Å. The Fe(3)-F(4) bond length is 2.07 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(3) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(3) and two equivalent Fe(1) atoms. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Fe(2) and two equivalent Fe(3) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom.