Fe4O3F5 is Hydrophilite-derived structured and crystallizes in the monoclinic Pc space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one F(1), one F(2), one F(4), and one F(5) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(4)O3F3 octahedra, corners with four equivalent Fe(2)O2F4 octahedra,  an edgeedge with one Fe(3)O2F4 octahedra, and  an edgeedge with one Fe(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one F(2), one F(3), one F(4), and one F(5) atom to form distorted FeO2F4 octahedra that share corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(4)O3F3 octahedra, corners with four equivalent Fe(1)O2F4 octahedra,  an edgeedge with one Fe(3)O2F4 octahedra, and  an edgeedge with one Fe(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-55°. In the third Fe site, Fe(3) is bonded to one O(1), one O(3), one F(1), one F(2), one F(3), and one F(5) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(1)O2F4 octahedra, corners with two equivalent Fe(2)O2F4 octahedra, corners with four equivalent Fe(4)O3F3 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra, and  an edgeedge with one Fe(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 37-56°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(2), one O(3), one F(1), one F(3), and one F(4) atom to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 37-55°. 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(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(4) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(3), and one Fe(4) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. 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(4) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom.
Fe4O3F5 is Hydrophilite-derived structured and crystallizes in the monoclinic Pc space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one F(1), one F(2), one F(4), and one F(5) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(4)O3F3 octahedra, corners with four equivalent Fe(2)O2F4 octahedra,  an edgeedge with one Fe(3)O2F4 octahedra, and  an edgeedge with one Fe(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. The Fe(1)-O(2) bond length is 2.06 Å. The Fe(1)-O(3) bond length is 2.08 Å. The Fe(1)-F(1) bond length is 2.21 Å. The Fe(1)-F(2) bond length is 2.11 Å. The Fe(1)-F(4) bond length is 2.07 Å. The Fe(1)-F(5) bond length is 2.20 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one F(2), one F(3), one F(4), and one F(5) atom to form distorted FeO2F4 octahedra that share corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(4)O3F3 octahedra, corners with four equivalent Fe(1)O2F4 octahedra,  an edgeedge with one Fe(3)O2F4 octahedra, and  an edgeedge with one Fe(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-55°. The Fe(2)-O(1) bond length is 1.92 Å. The Fe(2)-O(2) bond length is 1.87 Å. The Fe(2)-F(2) bond length is 2.05 Å. The Fe(2)-F(3) bond length is 2.28 Å. The Fe(2)-F(4) bond length is 2.04 Å. The Fe(2)-F(5) bond length is 2.09 Å. In the third Fe site, Fe(3) is bonded to one O(1), one O(3), one F(1), one F(2), one F(3), and one F(5) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(1)O2F4 octahedra, corners with two equivalent Fe(2)O2F4 octahedra, corners with four equivalent Fe(4)O3F3 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra, and  an edgeedge with one Fe(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 37-56°. The Fe(3)-O(1) bond length is 2.02 Å. The Fe(3)-O(3) bond length is 1.90 Å. The Fe(3)-F(1) bond length is 2.05 Å. The Fe(3)-F(2) bond length is 2.12 Å. The Fe(3)-F(3) bond length is 2.05 Å. The Fe(3)-F(5) bond length is 2.07 Å. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(2), one O(3), one F(1), one F(3), and one F(4) atom to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 37-55°. The Fe(4)-O(1) bond length is 2.03 Å. The Fe(4)-O(2) bond length is 1.90 Å. The Fe(4)-O(3) bond length is 1.99 Å. The Fe(4)-F(1) bond length is 2.08 Å. The Fe(4)-F(3) bond length is 2.08 Å. The Fe(4)-F(4) bond length is 2.15 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(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(4) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(3), and one Fe(4) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. 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(4) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom.