Fe4OF7 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(1), one F(7), two equivalent F(2), and two equivalent F(4) atoms to form a mixture of corner and edge-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. In the second Fe site, Fe(2) is bonded to one F(6), one F(8), two equivalent F(3), and two equivalent F(9) atoms to form a mixture of corner and edge-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. In the third Fe site, Fe(3) is bonded to one O(1), one F(1), one F(10), one F(4), one F(6), and one F(9) atom to form FeOF5 octahedra that share corners with two equivalent Fe(1)F6 octahedra, corners with two equivalent Fe(2)F6 octahedra, corners with two equivalent Fe(5)OF5 octahedra, corners with two equivalent Fe(6)OF5 octahedra, and edges with two equivalent Fe(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the fourth Fe site, Fe(4) is bonded to one O(2), one F(2), one F(3), one F(5), one F(7), and one F(8) atom to form FeOF5 octahedra that share corners with two equivalent Fe(1)F6 octahedra, corners with two equivalent Fe(2)F6 octahedra, corners with two equivalent Fe(5)OF5 octahedra, corners with two equivalent Fe(6)OF5 octahedra, and edges with two equivalent Fe(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. In the fifth Fe site, Fe(5) is bonded to one O(2), one F(10), two equivalent F(3), and two equivalent F(9) atoms to form FeOF5 octahedra that share corners with four equivalent Fe(3)OF5 octahedra, corners with four equivalent Fe(4)OF5 octahedra, and edges with two equivalent Fe(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. In the sixth Fe site, Fe(6) is bonded to one O(1), one F(5), two equivalent F(2), and two equivalent F(4) atoms to form FeOF5 octahedra that share corners with four equivalent Fe(3)OF5 octahedra, corners with four equivalent Fe(4)OF5 octahedra, and edges with two equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(6) and two equivalent Fe(3) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(5) and two equivalent Fe(4) atoms. There are ten inequivalent F sites. In the first F site, F(10) is bonded in a distorted trigonal planar geometry to one Fe(5) and two equivalent Fe(3) atoms. In the second F site, F(1) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(3) atoms. In the third F site, F(2) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom. In the fourth F site, F(3) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(5) atom. In the fifth F site, F(4) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(6) atom. In the sixth F site, F(5) is bonded in a distorted T-shaped geometry to one Fe(6) and two equivalent Fe(4) atoms. In the seventh F site, F(6) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(3) atoms. In the eighth F site, F(7) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(4) atoms. In the ninth F site, F(8) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(4) atoms. In the tenth F site, F(9) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(5) atom.
Fe4OF7 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(1), one F(7), two equivalent F(2), and two equivalent F(4) atoms to form a mixture of corner and edge-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. The Fe(1)-F(1) bond length is 2.02 Å. The Fe(1)-F(7) bond length is 2.00 Å. Both Fe(1)-F(2) bond lengths are 2.17 Å. Both Fe(1)-F(4) bond lengths are 2.18 Å. In the second Fe site, Fe(2) is bonded to one F(6), one F(8), two equivalent F(3), and two equivalent F(9) atoms to form a mixture of corner and edge-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. The Fe(2)-F(6) bond length is 1.98 Å. The Fe(2)-F(8) bond length is 1.99 Å. Both Fe(2)-F(3) bond lengths are 2.17 Å. Both Fe(2)-F(9) bond lengths are 2.17 Å. In the third Fe site, Fe(3) is bonded to one O(1), one F(1), one F(10), one F(4), one F(6), and one F(9) atom to form FeOF5 octahedra that share corners with two equivalent Fe(1)F6 octahedra, corners with two equivalent Fe(2)F6 octahedra, corners with two equivalent Fe(5)OF5 octahedra, corners with two equivalent Fe(6)OF5 octahedra, and edges with two equivalent Fe(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. The Fe(3)-O(1) bond length is 2.06 Å. The Fe(3)-F(1) bond length is 2.13 Å. The Fe(3)-F(10) bond length is 2.21 Å. The Fe(3)-F(4) bond length is 2.10 Å. The Fe(3)-F(6) bond length is 2.14 Å. The Fe(3)-F(9) bond length is 2.11 Å. In the fourth Fe site, Fe(4) is bonded to one O(2), one F(2), one F(3), one F(5), one F(7), and one F(8) atom to form FeOF5 octahedra that share corners with two equivalent Fe(1)F6 octahedra, corners with two equivalent Fe(2)F6 octahedra, corners with two equivalent Fe(5)OF5 octahedra, corners with two equivalent Fe(6)OF5 octahedra, and edges with two equivalent Fe(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. The Fe(4)-O(2) bond length is 2.05 Å. The Fe(4)-F(2) bond length is 2.10 Å. The Fe(4)-F(3) bond length is 2.11 Å. The Fe(4)-F(5) bond length is 2.19 Å. The Fe(4)-F(7) bond length is 2.16 Å. The Fe(4)-F(8) bond length is 2.14 Å. In the fifth Fe site, Fe(5) is bonded to one O(2), one F(10), two equivalent F(3), and two equivalent F(9) atoms to form FeOF5 octahedra that share corners with four equivalent Fe(3)OF5 octahedra, corners with four equivalent Fe(4)OF5 octahedra, and edges with two equivalent Fe(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. The Fe(5)-O(2) bond length is 1.83 Å. The Fe(5)-F(10) bond length is 2.11 Å. Both Fe(5)-F(3) bond lengths are 2.05 Å. Both Fe(5)-F(9) bond lengths are 2.06 Å. In the sixth Fe site, Fe(6) is bonded to one O(1), one F(5), two equivalent F(2), and two equivalent F(4) atoms to form FeOF5 octahedra that share corners with four equivalent Fe(3)OF5 octahedra, corners with four equivalent Fe(4)OF5 octahedra, and edges with two equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. The Fe(6)-O(1) bond length is 1.82 Å. The Fe(6)-F(5) bond length is 2.08 Å. Both Fe(6)-F(2) bond lengths are 2.06 Å. Both Fe(6)-F(4) bond lengths are 2.06 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(6) and two equivalent Fe(3) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(5) and two equivalent Fe(4) atoms. There are ten inequivalent F sites. In the first F site, F(10) is bonded in a distorted trigonal planar geometry to one Fe(5) and two equivalent Fe(3) atoms. In the second F site, F(1) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(3) atoms. In the third F site, F(2) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom. In the fourth F site, F(3) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(5) atom. In the fifth F site, F(4) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(6) atom. In the sixth F site, F(5) is bonded in a distorted T-shaped geometry to one Fe(6) and two equivalent Fe(4) atoms. In the seventh F site, F(6) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(3) atoms. In the eighth F site, F(7) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(4) atoms. In the ninth F site, F(8) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(4) atoms. In the tenth F site, F(9) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(5) atom.