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 O(1), one F(10), two equivalent F(3), and two equivalent F(6) atoms to form FeOF5 octahedra that share corners with four equivalent Fe(5)OF5 octahedra, corners with four equivalent Fe(6)OF5 octahedra, and edges with two equivalent Fe(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. In the second Fe site, Fe(2) is bonded to one F(2), one F(7), two equivalent F(4), and two equivalent F(5) atoms to form a mixture of corner and edge-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 42-51°. In the third Fe site, Fe(3) is bonded to one O(2), one F(9), two equivalent F(4), and two equivalent F(5) atoms to form FeOF5 octahedra that share corners with four equivalent Fe(5)OF5 octahedra, corners with four equivalent Fe(6)OF5 octahedra, and edges with two equivalent Fe(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. In the fourth Fe site, Fe(4) is bonded to one F(1), one F(8), two equivalent F(3), and two equivalent F(6) atoms to form a mixture of corner and edge-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. In the fifth Fe site, Fe(5) is bonded to one O(2), one F(10), one F(2), one F(3), one F(5), and one F(8) atom to form FeOF5 octahedra that share corners with two equivalent Fe(2)F6 octahedra, corners with two equivalent Fe(4)F6 octahedra, corners with two equivalent Fe(1)OF5 octahedra, corners with two equivalent Fe(3)OF5 octahedra, and edges with two equivalent Fe(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 43-52°. In the sixth Fe site, Fe(6) is bonded to one O(1), one F(1), one F(4), one F(6), one F(7), and one F(9) atom to form FeOF5 octahedra that share corners with two equivalent Fe(2)F6 octahedra, corners with two equivalent Fe(4)F6 octahedra, corners with two equivalent Fe(1)OF5 octahedra, corners with two equivalent Fe(3)OF5 octahedra, and edges with two equivalent Fe(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Fe(1) and two equivalent Fe(6) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(3) and two equivalent Fe(5) atoms. There are ten inequivalent F sites. In the first F site, F(9) is bonded in a 3-coordinate geometry to one Fe(3) and two equivalent Fe(6) atoms. In the second F site, F(10) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(5) atoms. In the third F site, F(1) is bonded in a trigonal planar geometry to one Fe(4) and two equivalent Fe(6) atoms. In the fourth F site, F(2) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(5) atoms. In the fifth F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(5) atom. In the sixth F site, F(4) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(6) atom. In the seventh F site, F(5) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(3), and one Fe(5) atom. In the eighth F site, F(6) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom. In the ninth F site, F(7) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(6) atoms. In the tenth F site, F(8) is bonded in a distorted T-shaped geometry to one Fe(4) and two equivalent Fe(5) atoms.
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 O(1), one F(10), two equivalent F(3), and two equivalent F(6) atoms to form FeOF5 octahedra that share corners with four equivalent Fe(5)OF5 octahedra, corners with four equivalent Fe(6)OF5 octahedra, and edges with two equivalent Fe(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. The Fe(1)-O(1) bond length is 1.90 Å. The Fe(1)-F(10) bond length is 2.22 Å. Both Fe(1)-F(3) bond lengths are 2.10 Å. Both Fe(1)-F(6) bond lengths are 2.13 Å. In the second Fe site, Fe(2) is bonded to one F(2), one F(7), two equivalent F(4), and two equivalent F(5) atoms to form a mixture of corner and edge-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 42-51°. The Fe(2)-F(2) bond length is 2.07 Å. The Fe(2)-F(7) bond length is 2.08 Å. Both Fe(2)-F(4) bond lengths are 2.09 Å. Both Fe(2)-F(5) bond lengths are 2.09 Å. In the third Fe site, Fe(3) is bonded to one O(2), one F(9), two equivalent F(4), and two equivalent F(5) atoms to form FeOF5 octahedra that share corners with four equivalent Fe(5)OF5 octahedra, corners with four equivalent Fe(6)OF5 octahedra, and edges with two equivalent Fe(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. The Fe(3)-O(2) bond length is 1.88 Å. The Fe(3)-F(9) bond length is 2.06 Å. Both Fe(3)-F(4) bond lengths are 2.13 Å. Both Fe(3)-F(5) bond lengths are 2.14 Å. In the fourth Fe site, Fe(4) is bonded to one F(1), one F(8), two equivalent F(3), and two equivalent F(6) atoms to form a mixture of corner and edge-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. The Fe(4)-F(1) bond length is 2.00 Å. The Fe(4)-F(8) bond length is 2.01 Å. Both Fe(4)-F(3) bond lengths are 2.13 Å. Both Fe(4)-F(6) bond lengths are 2.09 Å. In the fifth Fe site, Fe(5) is bonded to one O(2), one F(10), one F(2), one F(3), one F(5), and one F(8) atom to form FeOF5 octahedra that share corners with two equivalent Fe(2)F6 octahedra, corners with two equivalent Fe(4)F6 octahedra, corners with two equivalent Fe(1)OF5 octahedra, corners with two equivalent Fe(3)OF5 octahedra, and edges with two equivalent Fe(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 43-52°. The Fe(5)-O(2) bond length is 1.97 Å. The Fe(5)-F(10) bond length is 2.12 Å. The Fe(5)-F(2) bond length is 2.11 Å. The Fe(5)-F(3) bond length is 2.12 Å. The Fe(5)-F(5) bond length is 2.11 Å. The Fe(5)-F(8) bond length is 2.11 Å. In the sixth Fe site, Fe(6) is bonded to one O(1), one F(1), one F(4), one F(6), one F(7), and one F(9) atom to form FeOF5 octahedra that share corners with two equivalent Fe(2)F6 octahedra, corners with two equivalent Fe(4)F6 octahedra, corners with two equivalent Fe(1)OF5 octahedra, corners with two equivalent Fe(3)OF5 octahedra, and edges with two equivalent Fe(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. The Fe(6)-O(1) bond length is 1.94 Å. The Fe(6)-F(1) bond length is 2.14 Å. The Fe(6)-F(4) bond length is 2.12 Å. The Fe(6)-F(6) bond length is 2.12 Å. The Fe(6)-F(7) bond length is 2.17 Å. The Fe(6)-F(9) bond length is 2.12 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Fe(1) and two equivalent Fe(6) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(3) and two equivalent Fe(5) atoms. There are ten inequivalent F sites. In the first F site, F(9) is bonded in a 3-coordinate geometry to one Fe(3) and two equivalent Fe(6) atoms. In the second F site, F(10) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(5) atoms. In the third F site, F(1) is bonded in a trigonal planar geometry to one Fe(4) and two equivalent Fe(6) atoms. In the fourth F site, F(2) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(5) atoms. In the fifth F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(5) atom. In the sixth F site, F(4) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(6) atom. In the seventh F site, F(5) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(3), and one Fe(5) atom. In the eighth F site, F(6) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom. In the ninth F site, F(7) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(6) atoms. In the tenth F site, F(8) is bonded in a distorted T-shaped geometry to one Fe(4) and two equivalent Fe(5) atoms.