Fe6O5F7 is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one F(3), one F(4), one F(5), and one F(7) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(5)O3F3 octahedra, corners with two equivalent Fe(6)O3F3 octahedra, corners with four equivalent Fe(4)O2F4 octahedra,  an edgeedge with one Fe(3)O2F4 octahedra, and  an edgeedge with one Fe(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), one O(5), one F(2), one F(3), and one F(5) atom to form distorted FeO3F3 octahedra that share corners with two equivalent Fe(4)O2F4 octahedra, corners with two equivalent Fe(5)O3F3 octahedra, corners with four equivalent Fe(6)O3F3 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra, and  an edgeedge with one Fe(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 43-59°. In the third Fe site, Fe(3) is bonded to one O(3), one O(4), one F(1), one F(2), one F(4), and one F(6) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(4)O2F4 octahedra, corners with two equivalent Fe(6)O3F3 octahedra, corners with four equivalent Fe(5)O3F3 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra, and  an edgeedge with one Fe(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-65°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(5), one F(1), one F(3), one F(4), and one F(7) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(2)O3F3 octahedra, corners with four equivalent Fe(1)O2F4 octahedra,  an edgeedge with one Fe(5)O3F3 octahedra, and  an edgeedge with one Fe(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the fifth Fe site, Fe(5) is bonded to one O(2), one O(3), one O(4), one F(1), one F(6), and one F(7) atom to form distorted FeO3F3 octahedra that share corners with two equivalent Fe(1)O2F4 octahedra, corners with two equivalent Fe(2)O3F3 octahedra, corners with four equivalent Fe(3)O2F4 octahedra,  an edgeedge with one Fe(4)O2F4 octahedra, and  an edgeedge with one Fe(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-65°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(2), one O(5), one F(2), one F(5), and one F(6) atom to form FeO3F3 octahedra that share corners with two equivalent Fe(1)O2F4 octahedra, corners with two equivalent Fe(3)O2F4 octahedra, corners with four equivalent Fe(2)O3F3 octahedra,  an edgeedge with one Fe(4)O2F4 octahedra, and  an edgeedge with one Fe(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-58°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(5) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(6) atom. There are seven 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 T-shaped geometry to one Fe(2), one Fe(3), and one Fe(6) atom. 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. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(6) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(5) atom.
Fe6O5F7 is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one F(3), one F(4), one F(5), and one F(7) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(5)O3F3 octahedra, corners with two equivalent Fe(6)O3F3 octahedra, corners with four equivalent Fe(4)O2F4 octahedra,  an edgeedge with one Fe(3)O2F4 octahedra, and  an edgeedge with one Fe(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. The Fe(1)-O(1) bond length is 1.93 Å. The Fe(1)-O(3) bond length is 1.87 Å. The Fe(1)-F(3) bond length is 2.02 Å. The Fe(1)-F(4) bond length is 2.07 Å. The Fe(1)-F(5) bond length is 2.25 Å. The Fe(1)-F(7) bond length is 2.07 Å. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), one O(5), one F(2), one F(3), and one F(5) atom to form distorted FeO3F3 octahedra that share corners with two equivalent Fe(4)O2F4 octahedra, corners with two equivalent Fe(5)O3F3 octahedra, corners with four equivalent Fe(6)O3F3 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra, and  an edgeedge with one Fe(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 43-59°. The Fe(2)-O(2) bond length is 1.99 Å. The Fe(2)-O(4) bond length is 1.89 Å. The Fe(2)-O(5) bond length is 1.99 Å. The Fe(2)-F(2) bond length is 2.07 Å. The Fe(2)-F(3) bond length is 2.35 Å. The Fe(2)-F(5) bond length is 2.05 Å. In the third Fe site, Fe(3) is bonded to one O(3), one O(4), one F(1), one F(2), one F(4), and one F(6) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(4)O2F4 octahedra, corners with two equivalent Fe(6)O3F3 octahedra, corners with four equivalent Fe(5)O3F3 octahedra,  an edgeedge with one Fe(1)O2F4 octahedra, and  an edgeedge with one Fe(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-65°. The Fe(3)-O(3) bond length is 2.11 Å. The Fe(3)-O(4) bond length is 2.11 Å. The Fe(3)-F(1) bond length is 2.13 Å. The Fe(3)-F(2) bond length is 2.13 Å. The Fe(3)-F(4) bond length is 2.14 Å. The Fe(3)-F(6) bond length is 2.09 Å. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(5), one F(1), one F(3), one F(4), and one F(7) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(2)O3F3 octahedra, corners with four equivalent Fe(1)O2F4 octahedra,  an edgeedge with one Fe(5)O3F3 octahedra, and  an edgeedge with one Fe(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. The Fe(4)-O(1) bond length is 1.95 Å. The Fe(4)-O(5) bond length is 1.89 Å. The Fe(4)-F(1) bond length is 2.13 Å. The Fe(4)-F(3) bond length is 2.04 Å. The Fe(4)-F(4) bond length is 2.03 Å. The Fe(4)-F(7) bond length is 2.06 Å. In the fifth Fe site, Fe(5) is bonded to one O(2), one O(3), one O(4), one F(1), one F(6), and one F(7) atom to form distorted FeO3F3 octahedra that share corners with two equivalent Fe(1)O2F4 octahedra, corners with two equivalent Fe(2)O3F3 octahedra, corners with four equivalent Fe(3)O2F4 octahedra,  an edgeedge with one Fe(4)O2F4 octahedra, and  an edgeedge with one Fe(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-65°. The Fe(5)-O(2) bond length is 1.94 Å. The Fe(5)-O(3) bond length is 1.97 Å. The Fe(5)-O(4) bond length is 1.96 Å. The Fe(5)-F(1) bond length is 2.07 Å. The Fe(5)-F(6) bond length is 2.07 Å. The Fe(5)-F(7) bond length is 2.43 Å. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(2), one O(5), one F(2), one F(5), and one F(6) atom to form FeO3F3 octahedra that share corners with two equivalent Fe(1)O2F4 octahedra, corners with two equivalent Fe(3)O2F4 octahedra, corners with four equivalent Fe(2)O3F3 octahedra,  an edgeedge with one Fe(4)O2F4 octahedra, and  an edgeedge with one Fe(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-58°. The Fe(6)-O(1) bond length is 1.93 Å. The Fe(6)-O(2) bond length is 1.98 Å. The Fe(6)-O(5) bond length is 2.03 Å. The Fe(6)-F(2) bond length is 2.04 Å. The Fe(6)-F(5) bond length is 2.08 Å. The Fe(6)-F(6) bond length is 2.10 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(5) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(6) atom. There are seven 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 T-shaped geometry to one Fe(2), one Fe(3), and one Fe(6) atom. 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. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(6) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(5) atom.