Fe4OF7 is Hydrophilite-derived structured and crystallizes in the monoclinic Cm space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one F(5), two equivalent F(2), and two equivalent F(3) atoms to form FeOF5 octahedra that share corners with eight equivalent Fe(3)OF5 octahedra and edges with two equivalent Fe(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the second Fe site, Fe(2) is bonded to one F(1), one F(4), two equivalent F(2), and two equivalent F(3) atoms to form a mixture of corner and edge-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. In the third Fe site, Fe(3) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form FeOF5 octahedra that share corners with four equivalent Fe(2)F6 octahedra, corners with four equivalent Fe(1)OF5 octahedra, and edges with two equivalent Fe(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. O(1) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Fe(3) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(3) atoms. 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 trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(3) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Fe(3) atoms.
Fe4OF7 is Hydrophilite-derived structured and crystallizes in the monoclinic Cm space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one F(5), two equivalent F(2), and two equivalent F(3) atoms to form FeOF5 octahedra that share corners with eight equivalent Fe(3)OF5 octahedra and edges with two equivalent Fe(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. The Fe(1)-O(1) bond length is 1.83 Å. The Fe(1)-F(5) bond length is 2.11 Å. Both Fe(1)-F(2) bond lengths are 2.06 Å. Both Fe(1)-F(3) bond lengths are 2.07 Å. In the second Fe site, Fe(2) is bonded to one F(1), one F(4), two equivalent F(2), and two equivalent F(3) atoms to form a mixture of corner and edge-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. The Fe(2)-F(1) bond length is 2.00 Å. The Fe(2)-F(4) bond length is 1.98 Å. Both Fe(2)-F(2) bond lengths are 2.17 Å. Both Fe(2)-F(3) bond lengths are 2.17 Å. In the third Fe site, Fe(3) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form FeOF5 octahedra that share corners with four equivalent Fe(2)F6 octahedra, corners with four equivalent Fe(1)OF5 octahedra, and edges with two equivalent Fe(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. The Fe(3)-O(1) bond length is 2.07 Å. The Fe(3)-F(1) bond length is 2.12 Å. The Fe(3)-F(2) bond length is 2.10 Å. The Fe(3)-F(3) bond length is 2.10 Å. The Fe(3)-F(4) bond length is 2.14 Å. The Fe(3)-F(5) bond length is 2.22 Å. O(1) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Fe(3) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(3) atoms. 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 trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(3) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Fe(3) atoms.