Fe2O3F is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form FeO4F2 octahedra that share corners with eight equivalent Fe(3)O4F2 octahedra and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second Fe site, Fe(2) is bonded to one O(4), four equivalent O(2), and one F(2) atom to form FeO5F octahedra that share corners with eight equivalent Fe(3)O4F2 octahedra and edges with two equivalent Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(1)O4F2 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with four equivalent Fe(2)O5F octahedra, and edges with two equivalent Fe(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 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 trigonal planar geometry to one Fe(3) and two equivalent Fe(2) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(4) and two equivalent Fe(3) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(3) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Fe(3) atoms. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Fe(2) and two equivalent Fe(3) atoms.
Fe2O3F is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form FeO4F2 octahedra that share corners with eight equivalent Fe(3)O4F2 octahedra and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. All Fe(1)-O(1) bond lengths are 1.95 Å. Both Fe(1)-F(1) bond lengths are 2.05 Å. In the second Fe site, Fe(2) is bonded to one O(4), four equivalent O(2), and one F(2) atom to form FeO5F octahedra that share corners with eight equivalent Fe(3)O4F2 octahedra and edges with two equivalent Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-52°. The Fe(2)-O(4) bond length is 1.97 Å. All Fe(2)-O(2) bond lengths are 1.96 Å. The Fe(2)-F(2) bond length is 2.29 Å. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(1)O4F2 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with four equivalent Fe(2)O5F octahedra, and edges with two equivalent Fe(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. The Fe(3)-O(1) bond length is 1.97 Å. The Fe(3)-O(2) bond length is 1.96 Å. The Fe(3)-O(3) bond length is 1.93 Å. The Fe(3)-O(4) bond length is 1.95 Å. The Fe(3)-F(1) bond length is 2.06 Å. The Fe(3)-F(2) bond length is 2.03 Å. In the fourth Fe site, Fe(4) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. Both Fe(4)-O(3) bond lengths are 2.18 Å. All Fe(4)-O(1) bond lengths are 1.95 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 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 trigonal planar geometry to one Fe(3) and two equivalent Fe(2) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(4) and two equivalent Fe(3) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(3) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Fe(3) atoms. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Fe(2) and two equivalent Fe(3) atoms.