Fe4O3F5 is Hydrophilite-derived structured and crystallizes in the triclinic P-1 space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one F(1), one F(4), and two equivalent F(5) atoms to form distorted FeO2F4 octahedra that share corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(5)O2F4 octahedra, corners with four equivalent Fe(4)O2F4 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra, and  an edgeedge with one Fe(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. In the second Fe site, Fe(2) is bonded to one O(3), two equivalent O(2), one F(2), one F(3), and one F(4) atom to form FeO3F3 octahedra that share corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(5)O2F4 octahedra, corners with four equivalent Fe(4)O2F4 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra, and  an edgeedge with one Fe(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the third Fe site, Fe(3) is bonded to two equivalent O(1), two equivalent F(2), and two equivalent F(4) atoms to form FeO2F4 octahedra that share corners with four equivalent Fe(1)O2F4 octahedra, corners with four equivalent Fe(2)O3F3 octahedra, and edges with two equivalent Fe(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(5) atom to form FeO2F4 octahedra that share corners with four equivalent Fe(1)O2F4 octahedra, corners with four equivalent Fe(2)O3F3 octahedra,  an edgeedge with one Fe(3)O2F4 octahedra, and  an edgeedge with one Fe(5)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the fifth Fe site, Fe(5) is bonded to two equivalent O(3), two equivalent F(1), and two equivalent F(3) atoms to form FeO2F4 octahedra that share corners with four equivalent Fe(1)O2F4 octahedra, corners with four equivalent Fe(2)O3F3 octahedra, and edges with two equivalent Fe(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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(4) and two equivalent Fe(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(5) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(5) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(3), and one Fe(4) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(5) 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(3) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Fe(4) and two equivalent Fe(1) atoms.
Fe4O3F5 is Hydrophilite-derived structured and crystallizes in the triclinic P-1 space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one F(1), one F(4), and two equivalent F(5) atoms to form distorted FeO2F4 octahedra that share corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(5)O2F4 octahedra, corners with four equivalent Fe(4)O2F4 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra, and  an edgeedge with one Fe(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. The Fe(1)-O(1) bond length is 1.89 Å. The Fe(1)-O(3) bond length is 1.91 Å. The Fe(1)-F(1) bond length is 2.13 Å. The Fe(1)-F(4) bond length is 2.05 Å. There is one shorter (2.03 Å) and one longer (2.31 Å) Fe(1)-F(5) bond length. In the second Fe site, Fe(2) is bonded to one O(3), two equivalent O(2), one F(2), one F(3), and one F(4) atom to form FeO3F3 octahedra that share corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(5)O2F4 octahedra, corners with four equivalent Fe(4)O2F4 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra, and  an edgeedge with one Fe(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. The Fe(2)-O(3) bond length is 1.96 Å. There is one shorter (1.94 Å) and one longer (2.01 Å) Fe(2)-O(2) bond length. The Fe(2)-F(2) bond length is 2.08 Å. The Fe(2)-F(3) bond length is 2.06 Å. The Fe(2)-F(4) bond length is 2.16 Å. In the third Fe site, Fe(3) is bonded to two equivalent O(1), two equivalent F(2), and two equivalent F(4) atoms to form FeO2F4 octahedra that share corners with four equivalent Fe(1)O2F4 octahedra, corners with four equivalent Fe(2)O3F3 octahedra, and edges with two equivalent Fe(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. Both Fe(3)-O(1) bond lengths are 2.08 Å. Both Fe(3)-F(2) bond lengths are 2.15 Å. Both Fe(3)-F(4) bond lengths are 2.11 Å. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(5) atom to form FeO2F4 octahedra that share corners with four equivalent Fe(1)O2F4 octahedra, corners with four equivalent Fe(2)O3F3 octahedra,  an edgeedge with one Fe(3)O2F4 octahedra, and  an edgeedge with one Fe(5)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. The Fe(4)-O(1) bond length is 1.89 Å. The Fe(4)-O(2) bond length is 1.92 Å. The Fe(4)-F(1) bond length is 2.03 Å. The Fe(4)-F(2) bond length is 2.06 Å. The Fe(4)-F(3) bond length is 2.10 Å. The Fe(4)-F(5) bond length is 2.17 Å. In the fifth Fe site, Fe(5) is bonded to two equivalent O(3), two equivalent F(1), and two equivalent F(3) atoms to form FeO2F4 octahedra that share corners with four equivalent Fe(1)O2F4 octahedra, corners with four equivalent Fe(2)O3F3 octahedra, and edges with two equivalent Fe(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. Both Fe(5)-O(3) bond lengths are 2.04 Å. Both Fe(5)-F(1) bond lengths are 2.24 Å. Both Fe(5)-F(3) bond lengths are 2.16 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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(4) and two equivalent Fe(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(5) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(5) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(3), and one Fe(4) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(5) 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(3) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Fe(4) and two equivalent Fe(1) atoms.