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(4), one F(2), two equivalent F(1), and two equivalent F(6) atoms to form a mixture of edge and corner-sharing FeOF5 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one F(1), one F(4), one F(6), and one F(8) atom to form FeO2F4 octahedra that share corners with four equivalent Fe(4)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 45-56°. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one F(3), one F(5), one F(7), and one F(8) atom to form FeO2F4 octahedra that share corners with four equivalent Fe(6)O2F4 octahedra, corners with four equivalent Fe(5)OF5 octahedra,  an edgeedge with one Fe(2)O2F4 octahedra, and  an edgeedge with one Fe(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 36-55°. In the fourth Fe site, Fe(4) is bonded to one O(3), one O(4), one F(1), one F(2), one F(4), and one F(6) 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(6)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the fifth Fe site, Fe(5) is bonded to one O(2), one F(7), two equivalent F(3), and two equivalent F(5) atoms to form a mixture of edge and corner-sharing FeOF5 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(3), one F(3), one F(4), one F(5), and one F(8) atom to form FeO2F4 octahedra that share corners with four equivalent Fe(2)O2F4 octahedra, corners with four equivalent Fe(3)O2F4 octahedra,  an edgeedge with one Fe(4)O2F4 octahedra, and  an edgeedge with one Fe(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 36-56°. There are four 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(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(5) and two equivalent Fe(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(4) atoms. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Fe(4) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(4), and one Fe(6) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the seventh F site, F(7) is bonded in a distorted T-shaped geometry to one Fe(5) and two equivalent Fe(3) 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(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(4), one F(2), two equivalent F(1), and two equivalent F(6) atoms to form a mixture of edge and corner-sharing FeOF5 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. The Fe(1)-O(4) bond length is 1.97 Å. The Fe(1)-F(2) bond length is 2.22 Å. Both Fe(1)-F(1) bond lengths are 2.11 Å. Both Fe(1)-F(6) bond lengths are 2.12 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one F(1), one F(4), one F(6), and one F(8) atom to form FeO2F4 octahedra that share corners with four equivalent Fe(4)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 45-56°. The Fe(2)-O(1) bond length is 2.01 Å. The Fe(2)-O(3) bond length is 2.02 Å. The Fe(2)-F(1) bond length is 2.11 Å. The Fe(2)-F(4) bond length is 2.13 Å. The Fe(2)-F(6) bond length is 2.09 Å. The Fe(2)-F(8) bond length is 2.17 Å. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one F(3), one F(5), one F(7), and one F(8) atom to form FeO2F4 octahedra that share corners with four equivalent Fe(6)O2F4 octahedra, corners with four equivalent Fe(5)OF5 octahedra,  an edgeedge with one Fe(2)O2F4 octahedra, and  an edgeedge with one Fe(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 36-55°. The Fe(3)-O(1) bond length is 1.89 Å. The Fe(3)-O(2) bond length is 1.92 Å. The Fe(3)-F(3) bond length is 2.06 Å. The Fe(3)-F(5) bond length is 2.04 Å. The Fe(3)-F(7) bond length is 2.18 Å. The Fe(3)-F(8) bond length is 2.11 Å. In the fourth Fe site, Fe(4) is bonded to one O(3), one O(4), one F(1), one F(2), one F(4), and one F(6) 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(6)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. The Fe(4)-O(3) bond length is 1.92 Å. The Fe(4)-O(4) bond length is 1.93 Å. The Fe(4)-F(1) bond length is 2.01 Å. The Fe(4)-F(2) bond length is 2.09 Å. The Fe(4)-F(4) bond length is 2.14 Å. The Fe(4)-F(6) bond length is 2.02 Å. In the fifth Fe site, Fe(5) is bonded to one O(2), one F(7), two equivalent F(3), and two equivalent F(5) atoms to form a mixture of edge and corner-sharing FeOF5 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. The Fe(5)-O(2) bond length is 1.98 Å. The Fe(5)-F(7) bond length is 2.14 Å. Both Fe(5)-F(3) bond lengths are 2.13 Å. Both Fe(5)-F(5) bond lengths are 2.12 Å. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(3), one F(3), one F(4), one F(5), and one F(8) atom to form FeO2F4 octahedra that share corners with four equivalent Fe(2)O2F4 octahedra, corners with four equivalent Fe(3)O2F4 octahedra,  an edgeedge with one Fe(4)O2F4 octahedra, and  an edgeedge with one Fe(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 36-56°. The Fe(6)-O(1) bond length is 1.91 Å. The Fe(6)-O(3) bond length is 1.88 Å. The Fe(6)-F(3) bond length is 2.07 Å. The Fe(6)-F(4) bond length is 2.08 Å. The Fe(6)-F(5) bond length is 2.14 Å. The Fe(6)-F(8) bond length is 2.13 Å. There are four 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(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(5) and two equivalent Fe(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(4) atoms. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Fe(4) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(4), and one Fe(6) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the seventh F site, F(7) is bonded in a distorted T-shaped geometry to one Fe(5) and two equivalent Fe(3) 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(6) atom.