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(1), 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 four equivalent Fe(3)O2F4 octahedra, corners with four equivalent Fe(4)O3F3 octahedra, and edges with two equivalent Fe(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one F(1), one F(3), one F(4), and one F(5) atom to form FeO2F4 octahedra that share corners with four equivalent Fe(3)O2F4 octahedra, corners with four equivalent Fe(4)O3F3 octahedra, and edges with two equivalent Fe(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the third Fe site, Fe(3) is bonded to one O(2), one O(3), 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)O2F4 octahedra, and edges with two equivalent Fe(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(2), one O(3), one F(2), one F(3), and one F(5) atom to form a mixture of distorted corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. In the third O site, O(3) is bonded in a trigonal planar 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 distorted 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 trigonal planar geometry to one Fe(1), 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(3), and one Fe(4) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) 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(1), 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 four equivalent Fe(3)O2F4 octahedra, corners with four equivalent Fe(4)O3F3 octahedra, and edges with two equivalent Fe(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. The Fe(1)-O(1) bond length is 1.91 Å. The Fe(1)-O(3) bond length is 1.91 Å. The Fe(1)-F(1) bond length is 2.02 Å. The Fe(1)-F(2) bond length is 2.27 Å. The Fe(1)-F(4) bond length is 2.05 Å. The Fe(1)-F(5) bond length is 2.04 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one F(1), one F(3), one F(4), and one F(5) atom to form FeO2F4 octahedra that share corners with four equivalent Fe(3)O2F4 octahedra, corners with four equivalent Fe(4)O3F3 octahedra, and edges with two equivalent Fe(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. The Fe(2)-O(1) bond length is 2.03 Å. The Fe(2)-O(2) bond length is 2.07 Å. The Fe(2)-F(1) bond length is 2.15 Å. The Fe(2)-F(3) bond length is 2.21 Å. The Fe(2)-F(4) bond length is 2.18 Å. The Fe(2)-F(5) bond length is 2.13 Å. In the third Fe site, Fe(3) is bonded to one O(2), one O(3), 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)O2F4 octahedra, and edges with two equivalent Fe(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. The Fe(3)-O(2) bond length is 1.90 Å. The Fe(3)-O(3) bond length is 1.97 Å. The Fe(3)-F(1) bond length is 2.08 Å. The Fe(3)-F(2) bond length is 2.10 Å. The Fe(3)-F(3) bond length is 2.06 Å. The Fe(3)-F(4) bond length is 2.04 Å. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(2), one O(3), one F(2), one F(3), and one F(5) atom to form a mixture of distorted corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. The Fe(4)-O(1) bond length is 1.93 Å. The Fe(4)-O(2) bond length is 1.92 Å. The Fe(4)-O(3) bond length is 1.99 Å. The Fe(4)-F(2) bond length is 2.11 Å. The Fe(4)-F(3) bond length is 2.11 Å. The Fe(4)-F(5) bond length is 2.41 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. In the third O site, O(3) is bonded in a trigonal planar 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 distorted 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 trigonal planar geometry to one Fe(1), 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(3), and one Fe(4) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom.