FeOF is Hydrophilite-derived structured and crystallizes in the monoclinic Pm space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one F(3), one F(4), and one F(5) atom to form a mixture of corner and edge-sharing FeO3F3 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(4), one O(5), one F(1), one F(2), and one F(4) atom to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the third Fe site, Fe(3) is bonded to one O(5), two equivalent O(4), one F(1), and two equivalent F(2) atoms to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the fourth Fe site, Fe(4) is bonded to one O(2), two equivalent O(3), one F(5), and two equivalent F(3) atoms to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(3), one O(4), one F(2), 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 45-56°. There are five 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(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(4) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(5) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(5) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(2) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(3) and two equivalent Fe(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(5) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Fe(1), 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(5) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Fe(4) and two equivalent Fe(1) atoms.
FeOF is Hydrophilite-derived structured and crystallizes in the monoclinic Pm space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one F(3), one F(4), and one F(5) atom to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. The Fe(1)-O(1) bond length is 1.94 Å. The Fe(1)-O(2) bond length is 1.93 Å. The Fe(1)-O(3) bond length is 1.95 Å. The Fe(1)-F(3) bond length is 2.18 Å. The Fe(1)-F(4) bond length is 2.13 Å. The Fe(1)-F(5) bond length is 2.14 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(4), one O(5), one F(1), one F(2), and one F(4) atom to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. The Fe(2)-O(1) bond length is 1.96 Å. The Fe(2)-O(4) bond length is 1.94 Å. The Fe(2)-O(5) bond length is 1.94 Å. The Fe(2)-F(1) bond length is 2.08 Å. The Fe(2)-F(2) bond length is 2.19 Å. The Fe(2)-F(4) bond length is 2.07 Å. In the third Fe site, Fe(3) is bonded to one O(5), two equivalent O(4), one F(1), and two equivalent F(2) atoms to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. The Fe(3)-O(5) bond length is 1.94 Å. Both Fe(3)-O(4) bond lengths are 1.93 Å. The Fe(3)-F(1) bond length is 2.22 Å. Both Fe(3)-F(2) bond lengths are 2.12 Å. In the fourth Fe site, Fe(4) is bonded to one O(2), two equivalent O(3), one F(5), and two equivalent F(3) atoms to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. The Fe(4)-O(2) bond length is 1.97 Å. Both Fe(4)-O(3) bond lengths are 1.93 Å. The Fe(4)-F(5) bond length is 2.15 Å. Both Fe(4)-F(3) bond lengths are 2.15 Å. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(3), one O(4), one F(2), 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 45-56°. The Fe(5)-O(1) bond length is 1.94 Å. The Fe(5)-O(3) bond length is 1.94 Å. The Fe(5)-O(4) bond length is 1.96 Å. The Fe(5)-F(2) bond length is 2.08 Å. The Fe(5)-F(3) bond length is 2.08 Å. The Fe(5)-F(4) bond length is 2.20 Å. There are five 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(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(4) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(5) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(5) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(2) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(3) and two equivalent Fe(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(5) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Fe(1), 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(5) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Fe(4) and two equivalent Fe(1) atoms.