Fe6OF11 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 F(5), one F(6), two equivalent F(1), and two equivalent F(8) atoms to form FeF6 octahedra that share corners with two equivalent Fe(3)OF5 octahedra, corners with three equivalent Fe(6)F6 octahedra, corners with three equivalent Fe(2)OF5 octahedra,  an edgeedge with one Fe(5)F6 octahedra, and  an edgeedge with one Fe(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-56°. In the second Fe site, Fe(2) is bonded to one O(1), one F(4), one F(5), one F(7), and two equivalent F(1) atoms to form FeOF5 octahedra that share corners with two equivalent Fe(4)OF5 octahedra, corners with three equivalent Fe(1)F6 octahedra, corners with three equivalent Fe(5)F6 octahedra,  an edgeedge with one Fe(6)F6 octahedra, and  an edgeedge with one Fe(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. In the third Fe site, Fe(3) is bonded to one O(1), one F(3), one F(5), one F(6), and two equivalent F(2) atoms to form FeOF5 octahedra that share corners with two equivalent Fe(1)F6 octahedra, corners with three equivalent Fe(5)F6 octahedra, corners with three equivalent Fe(4)OF5 octahedra,  an edgeedge with one Fe(6)F6 octahedra, and  an edgeedge with one Fe(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. In the fourth Fe site, Fe(4) is bonded to one O(1), one F(4), two equivalent F(2), and two equivalent F(8) atoms to form FeOF5 octahedra that share corners with two equivalent Fe(2)OF5 octahedra, corners with three equivalent Fe(6)F6 octahedra, corners with three equivalent Fe(3)OF5 octahedra,  an edgeedge with one Fe(1)F6 octahedra, and  an edgeedge with one Fe(5)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. In the fifth Fe site, Fe(5) is bonded to one F(3), one F(7), two equivalent F(1), and two equivalent F(2) atoms to form FeF6 octahedra that share corners with two equivalent Fe(6)F6 octahedra, corners with three equivalent Fe(2)OF5 octahedra, corners with three equivalent Fe(3)OF5 octahedra,  an edgeedge with one Fe(1)F6 octahedra, and  an edgeedge with one Fe(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. In the sixth Fe site, Fe(6) is bonded to one F(3), one F(4), one F(6), one F(7), and two equivalent F(8) atoms to form FeF6 octahedra that share corners with two equivalent Fe(5)F6 octahedra, corners with three equivalent Fe(1)F6 octahedra, corners with three equivalent Fe(4)OF5 octahedra,  an edgeedge with one Fe(2)OF5 octahedra, and  an edgeedge with one Fe(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. O(1) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), 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(4), and one Fe(5) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(6) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(6) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(6) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom.
Fe6OF11 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 F(5), one F(6), two equivalent F(1), and two equivalent F(8) atoms to form FeF6 octahedra that share corners with two equivalent Fe(3)OF5 octahedra, corners with three equivalent Fe(6)F6 octahedra, corners with three equivalent Fe(2)OF5 octahedra,  an edgeedge with one Fe(5)F6 octahedra, and  an edgeedge with one Fe(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-56°. The Fe(1)-F(5) bond length is 2.06 Å. The Fe(1)-F(6) bond length is 2.06 Å. Both Fe(1)-F(1) bond lengths are 2.12 Å. Both Fe(1)-F(8) bond lengths are 2.13 Å. In the second Fe site, Fe(2) is bonded to one O(1), one F(4), one F(5), one F(7), and two equivalent F(1) atoms to form FeOF5 octahedra that share corners with two equivalent Fe(4)OF5 octahedra, corners with three equivalent Fe(1)F6 octahedra, corners with three equivalent Fe(5)F6 octahedra,  an edgeedge with one Fe(6)F6 octahedra, and  an edgeedge with one Fe(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. The Fe(2)-O(1) bond length is 2.09 Å. The Fe(2)-F(4) bond length is 2.21 Å. The Fe(2)-F(5) bond length is 2.25 Å. The Fe(2)-F(7) bond length is 2.14 Å. Both Fe(2)-F(1) bond lengths are 2.06 Å. In the third Fe site, Fe(3) is bonded to one O(1), one F(3), one F(5), one F(6), and two equivalent F(2) atoms to form FeOF5 octahedra that share corners with two equivalent Fe(1)F6 octahedra, corners with three equivalent Fe(5)F6 octahedra, corners with three equivalent Fe(4)OF5 octahedra,  an edgeedge with one Fe(6)F6 octahedra, and  an edgeedge with one Fe(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. The Fe(3)-O(1) bond length is 1.84 Å. The Fe(3)-F(3) bond length is 2.16 Å. The Fe(3)-F(5) bond length is 2.02 Å. The Fe(3)-F(6) bond length is 2.03 Å. Both Fe(3)-F(2) bond lengths are 2.02 Å. In the fourth Fe site, Fe(4) is bonded to one O(1), one F(4), two equivalent F(2), and two equivalent F(8) atoms to form FeOF5 octahedra that share corners with two equivalent Fe(2)OF5 octahedra, corners with three equivalent Fe(6)F6 octahedra, corners with three equivalent Fe(3)OF5 octahedra,  an edgeedge with one Fe(1)F6 octahedra, and  an edgeedge with one Fe(5)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. The Fe(4)-O(1) bond length is 2.00 Å. The Fe(4)-F(4) bond length is 2.07 Å. Both Fe(4)-F(2) bond lengths are 2.19 Å. Both Fe(4)-F(8) bond lengths are 2.18 Å. In the fifth Fe site, Fe(5) is bonded to one F(3), one F(7), two equivalent F(1), and two equivalent F(2) atoms to form FeF6 octahedra that share corners with two equivalent Fe(6)F6 octahedra, corners with three equivalent Fe(2)OF5 octahedra, corners with three equivalent Fe(3)OF5 octahedra,  an edgeedge with one Fe(1)F6 octahedra, and  an edgeedge with one Fe(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. The Fe(5)-F(3) bond length is 2.06 Å. The Fe(5)-F(7) bond length is 2.05 Å. Both Fe(5)-F(1) bond lengths are 2.14 Å. Both Fe(5)-F(2) bond lengths are 2.16 Å. In the sixth Fe site, Fe(6) is bonded to one F(3), one F(4), one F(6), one F(7), and two equivalent F(8) atoms to form FeF6 octahedra that share corners with two equivalent Fe(5)F6 octahedra, corners with three equivalent Fe(1)F6 octahedra, corners with three equivalent Fe(4)OF5 octahedra,  an edgeedge with one Fe(2)OF5 octahedra, and  an edgeedge with one Fe(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. The Fe(6)-F(3) bond length is 2.21 Å. The Fe(6)-F(4) bond length is 2.14 Å. The Fe(6)-F(6) bond length is 2.21 Å. The Fe(6)-F(7) bond length is 2.16 Å. Both Fe(6)-F(8) bond lengths are 2.02 Å. O(1) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), 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(4), and one Fe(5) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(6) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(6) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(6) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom.