Fe4O7F is Hydrophilite-derived structured and crystallizes in the monoclinic C2/c space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one O(4), two equivalent O(1), and one F(1) atom to form FeO5F octahedra that share corners with four equivalent Fe(3)O5F octahedra, corners with four equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. In the third Fe site, Fe(3) is bonded to one O(2), two equivalent O(3), two equivalent O(4), and one F(1) atom to form FeO5F octahedra that share corners with eight equivalent Fe(1)O5F octahedra and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(3) 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(2), and one Fe(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. F(1) is bonded in a distorted trigonal planar geometry to one Fe(3) and two equivalent Fe(1) atoms.
Fe4O7F is Hydrophilite-derived structured and crystallizes in the monoclinic C2/c space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one O(4), two equivalent O(1), and one F(1) atom to form FeO5F octahedra that share corners with four equivalent Fe(3)O5F octahedra, corners with four equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-53°. The Fe(1)-O(2) bond length is 1.94 Å. The Fe(1)-O(3) bond length is 1.98 Å. The Fe(1)-O(4) bond length is 1.98 Å. There is one shorter (1.94 Å) and one longer (1.96 Å) Fe(1)-O(1) bond length. The Fe(1)-F(1) bond length is 2.08 Å. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. Both Fe(2)-O(1) bond lengths are 2.02 Å. Both Fe(2)-O(3) bond lengths are 1.96 Å. Both Fe(2)-O(4) bond lengths are 1.95 Å. In the third Fe site, Fe(3) is bonded to one O(2), two equivalent O(3), two equivalent O(4), and one F(1) atom to form FeO5F octahedra that share corners with eight equivalent Fe(1)O5F octahedra and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. The Fe(3)-O(2) bond length is 1.97 Å. Both Fe(3)-O(3) bond lengths are 1.95 Å. Both Fe(3)-O(4) bond lengths are 1.95 Å. The Fe(3)-F(1) bond length is 2.12 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(3) 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(2), and one Fe(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(3) atom. F(1) is bonded in a distorted trigonal planar geometry to one Fe(3) and two equivalent Fe(1) atoms.