Fe4O3F5 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 O(6), one F(3), one F(4), one F(6), and one F(9) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(6)O2F4 octahedra, corners with two equivalent Fe(7)O2F4 octahedra, corners with two equivalent Fe(5)O3F3 octahedra, corners with two equivalent Fe(8)O3F3 octahedra, and edges with two equivalent Fe(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(6), one F(3), one F(7), and one F(9) atom to form FeO3F3 octahedra that share corners with two equivalent Fe(6)O2F4 octahedra, corners with two equivalent Fe(7)O2F4 octahedra, corners with two equivalent Fe(5)O3F3 octahedra, corners with two equivalent Fe(8)O3F3 octahedra, and edges with two equivalent Fe(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. In the third Fe site, Fe(3) is bonded to one O(3), one O(5), one F(1), one F(10), one F(2), and one F(8) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(6)O2F4 octahedra, corners with two equivalent Fe(7)O2F4 octahedra, corners with two equivalent Fe(5)O3F3 octahedra, corners with two equivalent Fe(8)O3F3 octahedra, and edges with two equivalent Fe(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the fourth Fe site, Fe(4) is bonded to one O(4), one F(1), one F(10), one F(2), one F(5), and one F(8) atom to form FeOF5 octahedra that share corners with two equivalent Fe(6)O2F4 octahedra, corners with two equivalent Fe(7)O2F4 octahedra, corners with two equivalent Fe(5)O3F3 octahedra, corners with two equivalent Fe(8)O3F3 octahedra, and edges with two equivalent Fe(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the fifth Fe site, Fe(5) is bonded to one O(2), one O(5), one O(6), one F(1), one F(4), and one F(5) atom to form FeO3F3 octahedra that share corners with two equivalent Fe(1)O2F4 octahedra, corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(2)O3F3 octahedra, corners with two equivalent Fe(4)OF5 octahedra, and edges with two equivalent Fe(6)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the sixth Fe site, Fe(6) is bonded to one O(2), one O(5), one F(2), one F(4), one F(5), and one F(9) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(1)O2F4 octahedra, corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(2)O3F3 octahedra, corners with two equivalent Fe(4)OF5 octahedra, and edges with two equivalent Fe(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the seventh Fe site, Fe(7) is bonded to one O(3), one O(4), one F(10), one F(3), one F(6), and one F(7) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(1)O2F4 octahedra, corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(2)O3F3 octahedra, corners with two equivalent Fe(4)OF5 octahedra, and edges with two equivalent Fe(8)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the eighth Fe site, Fe(8) is bonded to one O(1), one O(3), one O(4), one F(6), one F(7), and one F(8) atom to form FeO3F3 octahedra that share corners with two equivalent Fe(1)O2F4 octahedra, corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(2)O3F3 octahedra, corners with two equivalent Fe(4)OF5 octahedra, and edges with two equivalent Fe(7)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(8) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(3), one Fe(7), and one Fe(8) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(4), one Fe(7), and one Fe(8) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(5) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Fe(3), one Fe(4), and one Fe(5) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(3), one Fe(4), and one Fe(6) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(7) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(5), and one Fe(6) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(5), and one Fe(6) atom. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(7), and one Fe(8) atom. In the seventh F site, F(7) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(7), and one Fe(8) atom. In the eighth F site, F(8) is bonded in a distorted T-shaped geometry to one Fe(3), one Fe(4), and one Fe(8) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(6) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(7) atom.
Fe4O3F5 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 O(6), one F(3), one F(4), one F(6), and one F(9) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(6)O2F4 octahedra, corners with two equivalent Fe(7)O2F4 octahedra, corners with two equivalent Fe(5)O3F3 octahedra, corners with two equivalent Fe(8)O3F3 octahedra, and edges with two equivalent Fe(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. The Fe(1)-O(1) bond length is 1.94 Å. The Fe(1)-O(6) bond length is 1.95 Å. The Fe(1)-F(3) bond length is 2.05 Å. The Fe(1)-F(4) bond length is 2.08 Å. The Fe(1)-F(6) bond length is 2.01 Å. The Fe(1)-F(9) bond length is 2.06 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(6), one F(3), one F(7), and one F(9) atom to form FeO3F3 octahedra that share corners with two equivalent Fe(6)O2F4 octahedra, corners with two equivalent Fe(7)O2F4 octahedra, corners with two equivalent Fe(5)O3F3 octahedra, corners with two equivalent Fe(8)O3F3 octahedra, and edges with two equivalent Fe(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. The Fe(2)-O(1) bond length is 1.97 Å. The Fe(2)-O(2) bond length is 1.94 Å. The Fe(2)-O(6) bond length is 1.99 Å. The Fe(2)-F(3) bond length is 2.07 Å. The Fe(2)-F(7) bond length is 2.31 Å. The Fe(2)-F(9) bond length is 2.09 Å. In the third Fe site, Fe(3) is bonded to one O(3), one O(5), one F(1), one F(10), one F(2), and one F(8) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(6)O2F4 octahedra, corners with two equivalent Fe(7)O2F4 octahedra, corners with two equivalent Fe(5)O3F3 octahedra, corners with two equivalent Fe(8)O3F3 octahedra, and edges with two equivalent Fe(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. The Fe(3)-O(3) bond length is 2.12 Å. The Fe(3)-O(5) bond length is 2.14 Å. The Fe(3)-F(1) bond length is 2.16 Å. The Fe(3)-F(10) bond length is 2.10 Å. The Fe(3)-F(2) bond length is 2.11 Å. The Fe(3)-F(8) bond length is 2.14 Å. In the fourth Fe site, Fe(4) is bonded to one O(4), one F(1), one F(10), one F(2), one F(5), and one F(8) atom to form FeOF5 octahedra that share corners with two equivalent Fe(6)O2F4 octahedra, corners with two equivalent Fe(7)O2F4 octahedra, corners with two equivalent Fe(5)O3F3 octahedra, corners with two equivalent Fe(8)O3F3 octahedra, and edges with two equivalent Fe(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. The Fe(4)-O(4) bond length is 1.99 Å. The Fe(4)-F(1) bond length is 2.15 Å. The Fe(4)-F(10) bond length is 2.08 Å. The Fe(4)-F(2) bond length is 2.09 Å. The Fe(4)-F(5) bond length is 2.13 Å. The Fe(4)-F(8) bond length is 2.13 Å. In the fifth Fe site, Fe(5) is bonded to one O(2), one O(5), one O(6), one F(1), one F(4), and one F(5) atom to form FeO3F3 octahedra that share corners with two equivalent Fe(1)O2F4 octahedra, corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(2)O3F3 octahedra, corners with two equivalent Fe(4)OF5 octahedra, and edges with two equivalent Fe(6)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. The Fe(5)-O(2) bond length is 2.01 Å. The Fe(5)-O(5) bond length is 1.94 Å. The Fe(5)-O(6) bond length is 2.00 Å. The Fe(5)-F(1) bond length is 2.17 Å. The Fe(5)-F(4) bond length is 2.10 Å. The Fe(5)-F(5) bond length is 2.06 Å. In the sixth Fe site, Fe(6) is bonded to one O(2), one O(5), one F(2), one F(4), one F(5), and one F(9) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(1)O2F4 octahedra, corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(2)O3F3 octahedra, corners with two equivalent Fe(4)OF5 octahedra, and edges with two equivalent Fe(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. The Fe(6)-O(2) bond length is 1.98 Å. The Fe(6)-O(5) bond length is 1.90 Å. The Fe(6)-F(2) bond length is 1.99 Å. The Fe(6)-F(4) bond length is 2.09 Å. The Fe(6)-F(5) bond length is 2.04 Å. The Fe(6)-F(9) bond length is 2.10 Å. In the seventh Fe site, Fe(7) is bonded to one O(3), one O(4), one F(10), one F(3), one F(6), and one F(7) atom to form FeO2F4 octahedra that share corners with two equivalent Fe(1)O2F4 octahedra, corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(2)O3F3 octahedra, corners with two equivalent Fe(4)OF5 octahedra, and edges with two equivalent Fe(8)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. The Fe(7)-O(3) bond length is 1.89 Å. The Fe(7)-O(4) bond length is 1.87 Å. The Fe(7)-F(10) bond length is 1.99 Å. The Fe(7)-F(3) bond length is 2.10 Å. The Fe(7)-F(6) bond length is 2.16 Å. The Fe(7)-F(7) bond length is 2.16 Å. In the eighth Fe site, Fe(8) is bonded to one O(1), one O(3), one O(4), one F(6), one F(7), and one F(8) atom to form FeO3F3 octahedra that share corners with two equivalent Fe(1)O2F4 octahedra, corners with two equivalent Fe(3)O2F4 octahedra, corners with two equivalent Fe(2)O3F3 octahedra, corners with two equivalent Fe(4)OF5 octahedra, and edges with two equivalent Fe(7)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. The Fe(8)-O(1) bond length is 2.02 Å. The Fe(8)-O(3) bond length is 1.92 Å. The Fe(8)-O(4) bond length is 1.89 Å. The Fe(8)-F(6) bond length is 2.17 Å. The Fe(8)-F(7) bond length is 2.19 Å. The Fe(8)-F(8) bond length is 2.16 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(8) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(3), one Fe(7), and one Fe(8) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(4), one Fe(7), and one Fe(8) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(5) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Fe(3), one Fe(4), and one Fe(5) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(3), one Fe(4), and one Fe(6) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(7) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(5), and one Fe(6) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(5), and one Fe(6) atom. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(7), and one Fe(8) atom. In the seventh F site, F(7) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(7), and one Fe(8) atom. In the eighth F site, F(8) is bonded in a distorted T-shaped geometry to one Fe(3), one Fe(4), and one Fe(8) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(6) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(7) atom.