Fe2O3F is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(1) atoms to form FeO4F2 octahedra that share corners with eight equivalent Fe(3)O5F octahedra and edges with two equivalent Fe(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form FeO4F2 octahedra that share corners with eight equivalent Fe(3)O5F octahedra and edges with two equivalent Fe(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the third Fe site, Fe(3) is bonded to one O(1), two equivalent O(2), two equivalent O(3), and one F(1) atom to form FeO5F octahedra that share corners with four equivalent Fe(1)O4F2 octahedra, corners with four equivalent Fe(2)O4F2 octahedra, and edges with two equivalent Fe(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-54°. 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(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(3) atoms. F(1) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Fe(3) atom.
Fe2O3F is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(1) atoms to form FeO4F2 octahedra that share corners with eight equivalent Fe(3)O5F octahedra and edges with two equivalent Fe(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. Both Fe(1)-O(1) bond lengths are 1.92 Å. Both Fe(1)-O(3) bond lengths are 1.97 Å. Both Fe(1)-F(1) bond lengths are 2.06 Å. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form FeO4F2 octahedra that share corners with eight equivalent Fe(3)O5F octahedra and edges with two equivalent Fe(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. Both Fe(2)-O(1) bond lengths are 1.93 Å. Both Fe(2)-O(2) bond lengths are 1.97 Å. Both Fe(2)-F(1) bond lengths are 2.09 Å. In the third Fe site, Fe(3) is bonded to one O(1), two equivalent O(2), two equivalent O(3), and one F(1) atom to form FeO5F octahedra that share corners with four equivalent Fe(1)O4F2 octahedra, corners with four equivalent Fe(2)O4F2 octahedra, and edges with two equivalent Fe(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-54°. The Fe(3)-O(1) bond length is 2.00 Å. Both Fe(3)-O(2) bond lengths are 1.95 Å. Both Fe(3)-O(3) bond lengths are 1.95 Å. The Fe(3)-F(1) bond length is 2.25 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(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(3) atoms. F(1) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Fe(3) atom.