Fe6O5F7 is Hydrophilite-derived structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), two equivalent O(1), one F(3), and two equivalent F(5) atoms to form FeO3F3 octahedra that share corners with two equivalent Fe(3)O2F4 octahedra, corners with three equivalent Fe(6)O2F4 octahedra, corners with three equivalent Fe(2)O4F2 octahedra,  an edgeedge with one Fe(4)O2F4 octahedra, and  an edgeedge with one Fe(5)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), two equivalent O(1), one F(3), and one F(4) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(4)O2F4 octahedra, corners with three equivalent Fe(5)O2F4 octahedra, corners with three equivalent Fe(1)O3F3 octahedra,  an edgeedge with one Fe(3)O2F4 octahedra, and  an edgeedge with one Fe(6)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the third Fe site, Fe(3) is bonded to one O(3), one O(4), one F(2), one F(3), and two equivalent F(1) atoms to form distorted FeO2F4 octahedra that share corners with two equivalent Fe(1)O3F3 octahedra, corners with three equivalent Fe(4)O2F4 octahedra, corners with three equivalent Fe(5)O2F4 octahedra,  an edgeedge with one Fe(6)O2F4 octahedra, and  an edgeedge with one Fe(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(4), two equivalent F(1), and two equivalent F(5) atoms to form FeO2F4 octahedra that share corners with two equivalent Fe(2)O4F2 octahedra, corners with three equivalent Fe(3)O2F4 octahedra, corners with three equivalent Fe(6)O2F4 octahedra,  an edgeedge with one Fe(5)O2F4 octahedra, and  an edgeedge with one Fe(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. In the fifth Fe site, Fe(5) is bonded to two equivalent O(1), one F(2), one F(4), and two equivalent F(1) atoms to form FeO2F4 octahedra that share corners with two equivalent Fe(6)O2F4 octahedra, corners with three equivalent Fe(3)O2F4 octahedra, corners with three equivalent Fe(2)O4F2 octahedra,  an edgeedge with one Fe(4)O2F4 octahedra, and  an edgeedge with one Fe(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. In the sixth Fe site, Fe(6) is bonded to one O(2), one O(3), one F(2), one F(4), and two equivalent F(5) atoms to form FeO2F4 octahedra that share corners with two equivalent Fe(5)O2F4 octahedra, corners with three equivalent Fe(4)O2F4 octahedra, corners with three equivalent Fe(1)O3F3 octahedra,  an edgeedge with one Fe(3)O2F4 octahedra, and  an edgeedge with one Fe(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Fe(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(5) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(6) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom.
Fe6O5F7 is Hydrophilite-derived structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), two equivalent O(1), one F(3), and two equivalent F(5) atoms to form FeO3F3 octahedra that share corners with two equivalent Fe(3)O2F4 octahedra, corners with three equivalent Fe(6)O2F4 octahedra, corners with three equivalent Fe(2)O4F2 octahedra,  an edgeedge with one Fe(4)O2F4 octahedra, and  an edgeedge with one Fe(5)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. The Fe(1)-O(3) bond length is 1.95 Å. Both Fe(1)-O(1) bond lengths are 1.94 Å. The Fe(1)-F(3) bond length is 2.24 Å. Both Fe(1)-F(5) bond lengths are 2.08 Å. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), two equivalent O(1), one F(3), and one F(4) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(4)O2F4 octahedra, corners with three equivalent Fe(5)O2F4 octahedra, corners with three equivalent Fe(1)O3F3 octahedra,  an edgeedge with one Fe(3)O2F4 octahedra, and  an edgeedge with one Fe(6)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. The Fe(2)-O(2) bond length is 2.01 Å. The Fe(2)-O(4) bond length is 2.01 Å. Both Fe(2)-O(1) bond lengths are 2.02 Å. The Fe(2)-F(3) bond length is 2.06 Å. The Fe(2)-F(4) bond length is 2.12 Å. In the third Fe site, Fe(3) is bonded to one O(3), one O(4), one F(2), one F(3), and two equivalent F(1) atoms to form distorted FeO2F4 octahedra that share corners with two equivalent Fe(1)O3F3 octahedra, corners with three equivalent Fe(4)O2F4 octahedra, corners with three equivalent Fe(5)O2F4 octahedra,  an edgeedge with one Fe(6)O2F4 octahedra, and  an edgeedge with one Fe(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. The Fe(3)-O(3) bond length is 1.92 Å. The Fe(3)-O(4) bond length is 1.86 Å. The Fe(3)-F(2) bond length is 2.29 Å. The Fe(3)-F(3) bond length is 2.12 Å. Both Fe(3)-F(1) bond lengths are 2.03 Å. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(4), two equivalent F(1), and two equivalent F(5) atoms to form FeO2F4 octahedra that share corners with two equivalent Fe(2)O4F2 octahedra, corners with three equivalent Fe(3)O2F4 octahedra, corners with three equivalent Fe(6)O2F4 octahedra,  an edgeedge with one Fe(5)O2F4 octahedra, and  an edgeedge with one Fe(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. The Fe(4)-O(2) bond length is 2.06 Å. The Fe(4)-O(4) bond length is 2.10 Å. Both Fe(4)-F(1) bond lengths are 2.16 Å. Both Fe(4)-F(5) bond lengths are 2.15 Å. In the fifth Fe site, Fe(5) is bonded to two equivalent O(1), one F(2), one F(4), and two equivalent F(1) atoms to form FeO2F4 octahedra that share corners with two equivalent Fe(6)O2F4 octahedra, corners with three equivalent Fe(3)O2F4 octahedra, corners with three equivalent Fe(2)O4F2 octahedra,  an edgeedge with one Fe(4)O2F4 octahedra, and  an edgeedge with one Fe(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. Both Fe(5)-O(1) bond lengths are 1.91 Å. The Fe(5)-F(2) bond length is 2.02 Å. The Fe(5)-F(4) bond length is 2.04 Å. Both Fe(5)-F(1) bond lengths are 2.06 Å. In the sixth Fe site, Fe(6) is bonded to one O(2), one O(3), one F(2), one F(4), and two equivalent F(5) atoms to form FeO2F4 octahedra that share corners with two equivalent Fe(5)O2F4 octahedra, corners with three equivalent Fe(4)O2F4 octahedra, corners with three equivalent Fe(1)O3F3 octahedra,  an edgeedge with one Fe(3)O2F4 octahedra, and  an edgeedge with one Fe(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. The Fe(6)-O(2) bond length is 1.89 Å. The Fe(6)-O(3) bond length is 2.01 Å. The Fe(6)-F(2) bond length is 2.04 Å. The Fe(6)-F(4) bond length is 2.06 Å. Both Fe(6)-F(5) bond lengths are 2.04 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Fe(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(5) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(6) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom.