Fe6OF11 is Hydrophilite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent F(1), two equivalent F(5), and two equivalent F(7) atoms to form FeF6 octahedra that share corners with two equivalent Fe(4)F6 octahedra, corners with two equivalent Fe(5)F6 octahedra, corners with four equivalent Fe(2)OF5 octahedra, and edges with two equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the second Fe site, Fe(2) is bonded to one O(1), one F(3), and four equivalent F(1) atoms to form FeOF5 octahedra that share corners with two equivalent Fe(3)F6 octahedra, corners with two equivalent Fe(6)O2F4 octahedra, corners with four equivalent Fe(1)F6 octahedra, and edges with two equivalent Fe(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the third Fe site, Fe(3) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form FeF6 octahedra that share corners with two equivalent Fe(4)F6 octahedra, corners with two equivalent Fe(2)OF5 octahedra, corners with four equivalent Fe(5)F6 octahedra, and edges with two equivalent Fe(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the fourth Fe site, Fe(4) is bonded to one F(4), one F(7), and four equivalent F(6) atoms to form FeF6 octahedra that share corners with two equivalent Fe(1)F6 octahedra, corners with two equivalent Fe(3)F6 octahedra, corners with four equivalent Fe(6)O2F4 octahedra, and edges with two equivalent Fe(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the fifth Fe site, Fe(5) is bonded to one F(5), one F(8), and four equivalent F(2) atoms to form FeF6 octahedra that share corners with two equivalent Fe(1)F6 octahedra, corners with two equivalent Fe(6)O2F4 octahedra, corners with four equivalent Fe(3)F6 octahedra, and edges with two equivalent Fe(5)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the sixth Fe site, Fe(6) is bonded to two equivalent O(1), two equivalent F(6), and two equivalent F(8) atoms to form FeO2F4 octahedra that share corners with two equivalent Fe(5)F6 octahedra, corners with two equivalent Fe(2)OF5 octahedra, corners with four equivalent Fe(4)F6 octahedra, and edges with two equivalent Fe(6)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. O(1) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(6) atoms. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Fe(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(3) and two equivalent Fe(5) 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. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Fe(4) and two equivalent Fe(3) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Fe(5) and two equivalent Fe(1) atoms. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Fe(6) and two equivalent Fe(4) atoms. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Fe(4) and two equivalent Fe(1) atoms. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Fe(5) and two equivalent Fe(6) atoms.
Fe6OF11 is Hydrophilite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent F(1), two equivalent F(5), and two equivalent F(7) atoms to form FeF6 octahedra that share corners with two equivalent Fe(4)F6 octahedra, corners with two equivalent Fe(5)F6 octahedra, corners with four equivalent Fe(2)OF5 octahedra, and edges with two equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles are 49°. Both Fe(1)-F(1) bond lengths are 2.05 Å. Both Fe(1)-F(5) bond lengths are 2.12 Å. Both Fe(1)-F(7) bond lengths are 2.12 Å. In the second Fe site, Fe(2) is bonded to one O(1), one F(3), and four equivalent F(1) atoms to form FeOF5 octahedra that share corners with two equivalent Fe(3)F6 octahedra, corners with two equivalent Fe(6)O2F4 octahedra, corners with four equivalent Fe(1)F6 octahedra, and edges with two equivalent Fe(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. The Fe(2)-O(1) bond length is 2.02 Å. The Fe(2)-F(3) bond length is 2.10 Å. All Fe(2)-F(1) bond lengths are 2.11 Å. In the third Fe site, Fe(3) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form FeF6 octahedra that share corners with two equivalent Fe(4)F6 octahedra, corners with two equivalent Fe(2)OF5 octahedra, corners with four equivalent Fe(5)F6 octahedra, and edges with two equivalent Fe(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. Both Fe(3)-F(2) bond lengths are 2.06 Å. Both Fe(3)-F(3) bond lengths are 2.09 Å. Both Fe(3)-F(4) bond lengths are 2.13 Å. In the fourth Fe site, Fe(4) is bonded to one F(4), one F(7), and four equivalent F(6) atoms to form FeF6 octahedra that share corners with two equivalent Fe(1)F6 octahedra, corners with two equivalent Fe(3)F6 octahedra, corners with four equivalent Fe(6)O2F4 octahedra, and edges with two equivalent Fe(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. The Fe(4)-F(4) bond length is 2.03 Å. The Fe(4)-F(7) bond length is 2.02 Å. All Fe(4)-F(6) bond lengths are 2.14 Å. In the fifth Fe site, Fe(5) is bonded to one F(5), one F(8), and four equivalent F(2) atoms to form FeF6 octahedra that share corners with two equivalent Fe(1)F6 octahedra, corners with two equivalent Fe(6)O2F4 octahedra, corners with four equivalent Fe(3)F6 octahedra, and edges with two equivalent Fe(5)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. The Fe(5)-F(5) bond length is 2.03 Å. The Fe(5)-F(8) bond length is 2.14 Å. All Fe(5)-F(2) bond lengths are 2.10 Å. In the sixth Fe site, Fe(6) is bonded to two equivalent O(1), two equivalent F(6), and two equivalent F(8) atoms to form FeO2F4 octahedra that share corners with two equivalent Fe(5)F6 octahedra, corners with two equivalent Fe(2)OF5 octahedra, corners with four equivalent Fe(4)F6 octahedra, and edges with two equivalent Fe(6)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. Both Fe(6)-O(1) bond lengths are 1.95 Å. Both Fe(6)-F(6) bond lengths are 2.01 Å. Both Fe(6)-F(8) bond lengths are 2.08 Å. O(1) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(6) atoms. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Fe(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(3) and two equivalent Fe(5) 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. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Fe(4) and two equivalent Fe(3) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Fe(5) and two equivalent Fe(1) atoms. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Fe(6) and two equivalent Fe(4) atoms. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Fe(4) and two equivalent Fe(1) atoms. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Fe(5) and two equivalent Fe(6) atoms.