Fe6O7F5 is Hydrophilite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), two equivalent O(2), one F(1), one F(2), and one F(3) atom to form FeO3F3 octahedra that share corners with four equivalent Fe(4)O4F2 octahedra, corners with four equivalent Fe(3)O5F octahedra,  an edgeedge with one Fe(2)O2F4 octahedra, and  an edgeedge with one Fe(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the second Fe site, Fe(2) is bonded to two equivalent O(3), two equivalent F(1), and two equivalent F(3) atoms to form FeO2F4 octahedra that share corners with eight equivalent Fe(4)O4F2 octahedra and edges with two equivalent Fe(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the third Fe site, Fe(3) is bonded to one O(1), four equivalent O(2), and one F(2) atom to form FeO5F octahedra that share corners with eight equivalent Fe(1)O3F3 octahedra and edges with two equivalent Fe(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(2), two equivalent O(3), one F(1), and one F(3) atom to form FeO4F2 octahedra that share corners with four equivalent Fe(2)O2F4 octahedra, corners with four equivalent Fe(1)O3F3 octahedra,  an edgeedge with one Fe(4)O4F2 octahedra, and  an edgeedge with one Fe(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-52°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(3) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(4) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Fe(3) and two equivalent Fe(1) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom.
Fe6O7F5 is Hydrophilite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), two equivalent O(2), one F(1), one F(2), and one F(3) atom to form FeO3F3 octahedra that share corners with four equivalent Fe(4)O4F2 octahedra, corners with four equivalent Fe(3)O5F octahedra,  an edgeedge with one Fe(2)O2F4 octahedra, and  an edgeedge with one Fe(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. The Fe(1)-O(1) bond length is 1.92 Å. Both Fe(1)-O(2) bond lengths are 1.95 Å. The Fe(1)-F(1) bond length is 2.06 Å. The Fe(1)-F(2) bond length is 2.04 Å. The Fe(1)-F(3) bond length is 2.12 Å. In the second Fe site, Fe(2) is bonded to two equivalent O(3), two equivalent F(1), and two equivalent F(3) atoms to form FeO2F4 octahedra that share corners with eight equivalent Fe(4)O4F2 octahedra and edges with two equivalent Fe(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. Both Fe(2)-O(3) bond lengths are 1.94 Å. Both Fe(2)-F(1) bond lengths are 2.02 Å. Both Fe(2)-F(3) bond lengths are 2.01 Å. In the third Fe site, Fe(3) is bonded to one O(1), four equivalent O(2), and one F(2) atom to form FeO5F octahedra that share corners with eight equivalent Fe(1)O3F3 octahedra and edges with two equivalent Fe(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. The Fe(3)-O(1) bond length is 1.98 Å. All Fe(3)-O(2) bond lengths are 2.02 Å. The Fe(3)-F(2) bond length is 2.39 Å. In the fourth Fe site, Fe(4) is bonded to two equivalent O(2), two equivalent O(3), one F(1), and one F(3) atom to form FeO4F2 octahedra that share corners with four equivalent Fe(2)O2F4 octahedra, corners with four equivalent Fe(1)O3F3 octahedra,  an edgeedge with one Fe(4)O4F2 octahedra, and  an edgeedge with one Fe(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-52°. Both Fe(4)-O(2) bond lengths are 1.92 Å. Both Fe(4)-O(3) bond lengths are 1.98 Å. The Fe(4)-F(1) bond length is 2.20 Å. The Fe(4)-F(3) bond length is 2.17 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(3) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(4) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Fe(3) and two equivalent Fe(1) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom.