Fe6O7F5 is Hydrophilite-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(4), one F(1), and two equivalent F(2) atoms to form FeO3F3 octahedra that share corners with four equivalent Fe(3)O4F2 octahedra, corners with four equivalent Fe(4)O4F2 octahedra,  an edgeedge with one Fe(1)O3F3 octahedra, and  an edgeedge with one Fe(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the second Fe site, Fe(2) is bonded to one O(3), two equivalent O(1), one F(3), and two equivalent F(1) atoms to form FeO3F3 octahedra that share corners with eight equivalent Fe(3)O4F2 octahedra and edges with two equivalent Fe(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. 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(3) atom to form FeO4F2 octahedra that share corners with four equivalent Fe(1)O3F3 octahedra, corners with four equivalent Fe(2)O3F3 octahedra,  an edgeedge with one Fe(3)O4F2 octahedra, and  an edgeedge with one Fe(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent F(2) atoms to form FeO4F2 octahedra that share corners with eight equivalent Fe(1)O3F3 octahedra and edges with two equivalent Fe(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. 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(2), and one Fe(3) atom. In the second O site, O(2) is bonded in a distorted 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(3) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(4) and two equivalent Fe(1) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(3) atoms.
Fe6O7F5 is Hydrophilite-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(4), one F(1), and two equivalent F(2) atoms to form FeO3F3 octahedra that share corners with four equivalent Fe(3)O4F2 octahedra, corners with four equivalent Fe(4)O4F2 octahedra,  an edgeedge with one Fe(1)O3F3 octahedra, and  an edgeedge with one Fe(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. The Fe(1)-O(1) bond length is 1.91 Å. The Fe(1)-O(2) bond length is 2.00 Å. The Fe(1)-O(4) bond length is 1.98 Å. The Fe(1)-F(1) bond length is 2.05 Å. There is one shorter (2.03 Å) and one longer (2.08 Å) Fe(1)-F(2) bond length. In the second Fe site, Fe(2) is bonded to one O(3), two equivalent O(1), one F(3), and two equivalent F(1) atoms to form FeO3F3 octahedra that share corners with eight equivalent Fe(3)O4F2 octahedra and edges with two equivalent Fe(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. The Fe(2)-O(3) bond length is 1.91 Å. Both Fe(2)-O(1) bond lengths are 1.98 Å. The Fe(2)-F(3) bond length is 2.08 Å. Both Fe(2)-F(1) bond lengths are 2.07 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(3) atom to form FeO4F2 octahedra that share corners with four equivalent Fe(1)O3F3 octahedra, corners with four equivalent Fe(2)O3F3 octahedra,  an edgeedge with one Fe(3)O4F2 octahedra, and  an edgeedge with one Fe(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. The Fe(3)-O(1) bond length is 1.96 Å. The Fe(3)-O(2) bond length is 1.98 Å. The Fe(3)-O(3) bond length is 1.96 Å. The Fe(3)-O(4) bond length is 2.01 Å. The Fe(3)-F(1) bond length is 2.35 Å. The Fe(3)-F(3) bond length is 2.13 Å. In the fourth Fe site, Fe(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent F(2) atoms to form FeO4F2 octahedra that share corners with eight equivalent Fe(1)O3F3 octahedra and edges with two equivalent Fe(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. Both Fe(4)-O(2) bond lengths are 1.91 Å. Both Fe(4)-O(4) bond lengths are 1.91 Å. Both Fe(4)-F(2) bond lengths are 2.16 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(2), and one Fe(3) atom. In the second O site, O(2) is bonded in a distorted 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(3) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(4) and two equivalent Fe(1) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(3) atoms.