Fe2O3F is Hydrophilite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent F(1) atoms to form FeO4F2 octahedra that share corners with four equivalent Fe(2)O5F octahedra, edges with two equivalent Fe(1)O4F2 octahedra, and edges with two equivalent Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the second Fe site, Fe(2) is bonded to one O(3), two equivalent O(1), two equivalent O(2), and one F(1) atom to form distorted FeO5F octahedra that share corners with four equivalent Fe(1)O4F2 octahedra, edges with two equivalent Fe(1)O4F2 octahedra, and edges with two equivalent Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(2) atoms. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Fe(1) and two equivalent Fe(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(1) atoms. F(1) is bonded in a distorted T-shaped geometry to one Fe(2) and two equivalent Fe(1) atoms.
Fe2O3F is Hydrophilite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent F(1) atoms to form FeO4F2 octahedra that share corners with four equivalent Fe(2)O5F octahedra, edges with two equivalent Fe(1)O4F2 octahedra, and edges with two equivalent Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 51-52°. The Fe(1)-O(1) bond length is 1.96 Å. The Fe(1)-O(2) bond length is 2.02 Å. Both Fe(1)-O(3) bond lengths are 1.93 Å. Both Fe(1)-F(1) bond lengths are 2.08 Å. In the second Fe site, Fe(2) is bonded to one O(3), two equivalent O(1), two equivalent O(2), and one F(1) atom to form distorted FeO5F octahedra that share corners with four equivalent Fe(1)O4F2 octahedra, edges with two equivalent Fe(1)O4F2 octahedra, and edges with two equivalent Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 51-52°. The Fe(2)-O(3) bond length is 1.96 Å. Both Fe(2)-O(1) bond lengths are 1.95 Å. Both Fe(2)-O(2) bond lengths are 1.96 Å. The Fe(2)-F(1) bond length is 2.29 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) and two equivalent Fe(2) atoms. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Fe(1) and two equivalent Fe(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(1) atoms. F(1) is bonded in a distorted T-shaped geometry to one Fe(2) and two equivalent Fe(1) atoms.