Fe4OF7 is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one F(10), one F(14), one F(3), one F(5), and one F(9) atom to form FeOF5 octahedra that share corners with two equivalent Fe(5)OF5 octahedra, corners with two equivalent Fe(6)OF5 octahedra, corners with two equivalent Fe(7)OF5 octahedra, corners with two equivalent Fe(8)OF5 octahedra, and edges with two equivalent Fe(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. In the second Fe site, Fe(2) is bonded to one F(11), one F(2), one F(4), one F(6), one F(7), and one F(8) atom to form a mixture of corner and edge-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. In the third Fe site, Fe(3) is bonded to one O(2), one F(13), one F(4), one F(6), one F(7), and one F(8) atom to form FeOF5 octahedra that share corners with two equivalent Fe(5)OF5 octahedra, corners with two equivalent Fe(6)OF5 octahedra, corners with two equivalent Fe(7)OF5 octahedra, corners with two equivalent Fe(8)OF5 octahedra, and edges with two equivalent Fe(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 39-57°. In the fourth Fe site, Fe(4) is bonded to one F(1), one F(10), one F(12), one F(3), one F(5), and one F(9) atom to form a mixture of corner and edge-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 41-57°. In the fifth Fe site, Fe(5) is bonded to one O(2), one F(12), one F(14), one F(2), one F(3), 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(7)OF5 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. In the sixth Fe site, Fe(6) is bonded to one O(1), one F(1), one F(11), one F(13), one F(6), 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(8)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. In the seventh Fe site, Fe(7) is bonded to one O(2), one F(12), one F(14), one F(2), one F(5), and one F(7) 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 47-57°. In the eighth Fe site, Fe(8) is bonded to one O(1), one F(1), one F(10), one F(11), one F(13), and one F(4) 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 39-55°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(6), and one Fe(8) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(7) atom. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Fe(4), one Fe(6), and one Fe(8) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(7) atom. In the third 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 fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(8) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(7) atom. In the sixth F site, F(6) 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(7) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(7) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(5) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(8) atom. In the eleventh F site, F(11) is bonded in a trigonal planar geometry to one Fe(2), one Fe(6), and one Fe(8) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(5), and one Fe(7) atom. In the thirteenth F site, F(13) is bonded in a distorted T-shaped geometry to one Fe(3), one Fe(6), and one Fe(8) atom. In the fourteenth F site, F(14) is bonded in a trigonal planar geometry to one Fe(1), one Fe(5), and one Fe(7) atom.
Fe4OF7 is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one F(10), one F(14), one F(3), one F(5), and one F(9) atom to form FeOF5 octahedra that share corners with two equivalent Fe(5)OF5 octahedra, corners with two equivalent Fe(6)OF5 octahedra, corners with two equivalent Fe(7)OF5 octahedra, corners with two equivalent Fe(8)OF5 octahedra, and edges with two equivalent Fe(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. The Fe(1)-O(1) bond length is 2.01 Å. The Fe(1)-F(10) bond length is 2.17 Å. The Fe(1)-F(14) bond length is 2.17 Å. The Fe(1)-F(3) bond length is 2.16 Å. The Fe(1)-F(5) bond length is 2.14 Å. The Fe(1)-F(9) bond length is 2.15 Å. In the second Fe site, Fe(2) is bonded to one F(11), one F(2), one F(4), one F(6), one F(7), and one F(8) atom to form a mixture of corner and edge-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. The Fe(2)-F(11) bond length is 2.06 Å. The Fe(2)-F(2) bond length is 2.10 Å. The Fe(2)-F(4) bond length is 2.12 Å. The Fe(2)-F(6) bond length is 2.09 Å. The Fe(2)-F(7) bond length is 2.09 Å. The Fe(2)-F(8) bond length is 2.12 Å. In the third Fe site, Fe(3) is bonded to one O(2), one F(13), one F(4), one F(6), one F(7), and one F(8) atom to form FeOF5 octahedra that share corners with two equivalent Fe(5)OF5 octahedra, corners with two equivalent Fe(6)OF5 octahedra, corners with two equivalent Fe(7)OF5 octahedra, corners with two equivalent Fe(8)OF5 octahedra, and edges with two equivalent Fe(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 39-57°. The Fe(3)-O(2) bond length is 1.98 Å. The Fe(3)-F(13) bond length is 2.10 Å. The Fe(3)-F(4) bond length is 2.19 Å. The Fe(3)-F(6) bond length is 2.16 Å. The Fe(3)-F(7) bond length is 2.16 Å. The Fe(3)-F(8) bond length is 2.20 Å. In the fourth Fe site, Fe(4) is bonded to one F(1), one F(10), one F(12), one F(3), one F(5), and one F(9) atom to form a mixture of corner and edge-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 41-57°. The Fe(4)-F(1) bond length is 2.04 Å. The Fe(4)-F(10) bond length is 2.13 Å. The Fe(4)-F(12) bond length is 2.03 Å. The Fe(4)-F(3) bond length is 2.14 Å. The Fe(4)-F(5) bond length is 2.12 Å. The Fe(4)-F(9) bond length is 2.11 Å. In the fifth Fe site, Fe(5) is bonded to one O(2), one F(12), one F(14), one F(2), one F(3), 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(7)OF5 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. The Fe(5)-O(2) bond length is 1.84 Å. The Fe(5)-F(12) bond length is 2.05 Å. The Fe(5)-F(14) bond length is 2.12 Å. The Fe(5)-F(2) bond length is 2.03 Å. The Fe(5)-F(3) bond length is 2.01 Å. The Fe(5)-F(8) bond length is 2.02 Å. In the sixth Fe site, Fe(6) is bonded to one O(1), one F(1), one F(11), one F(13), one F(6), 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(8)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. The Fe(6)-O(1) bond length is 2.06 Å. The Fe(6)-F(1) bond length is 2.20 Å. The Fe(6)-F(11) bond length is 2.22 Å. The Fe(6)-F(13) bond length is 2.24 Å. The Fe(6)-F(6) bond length is 2.06 Å. The Fe(6)-F(9) bond length is 2.06 Å. In the seventh Fe site, Fe(7) is bonded to one O(2), one F(12), one F(14), one F(2), one F(5), and one F(7) 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 47-57°. The Fe(7)-O(2) bond length is 2.07 Å. The Fe(7)-F(12) bond length is 2.22 Å. The Fe(7)-F(14) bond length is 2.25 Å. The Fe(7)-F(2) bond length is 2.18 Å. The Fe(7)-F(5) bond length is 2.06 Å. The Fe(7)-F(7) bond length is 2.06 Å. In the eighth Fe site, Fe(8) is bonded to one O(1), one F(1), one F(10), one F(11), one F(13), and one F(4) 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 39-55°. The Fe(8)-O(1) bond length is 1.83 Å. The Fe(8)-F(1) bond length is 2.05 Å. The Fe(8)-F(10) bond length is 2.02 Å. The Fe(8)-F(11) bond length is 2.14 Å. The Fe(8)-F(13) bond length is 2.05 Å. The Fe(8)-F(4) bond length is 2.02 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(6), and one Fe(8) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(7) atom. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Fe(4), one Fe(6), and one Fe(8) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(7) atom. In the third 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 fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(8) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(7) atom. In the sixth F site, F(6) 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(7) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(7) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(5) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(8) atom. In the eleventh F site, F(11) is bonded in a trigonal planar geometry to one Fe(2), one Fe(6), and one Fe(8) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(5), and one Fe(7) atom. In the thirteenth F site, F(13) is bonded in a distorted T-shaped geometry to one Fe(3), one Fe(6), and one Fe(8) atom. In the fourteenth F site, F(14) is bonded in a trigonal planar geometry to one Fe(1), one Fe(5), and one Fe(7) atom.