Fe4O3F5 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/m space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent F(3), and two equivalent F(4) atoms to form a mixture of edge and corner-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(2), one F(1), and two equivalent F(4) atoms. In the fourth Fe site, Fe(4) is bonded to two equivalent O(2), one F(2), one F(3), and two equivalent F(4) atoms to form corner-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted water-like geometry to one Fe(3) and two equivalent Fe(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(4) and two equivalent Fe(2) atoms. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Fe(4) and two equivalent Fe(1) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom.
Fe4O3F5 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/m space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent F(3), and two equivalent F(4) atoms to form a mixture of edge and corner-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. Both Fe(1)-O(1) bond lengths are 2.01 Å. Both Fe(1)-F(3) bond lengths are 2.14 Å. Both Fe(1)-F(4) bond lengths are 2.23 Å. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. Both Fe(2)-O(2) bond lengths are 1.92 Å. Both Fe(2)-F(1) bond lengths are 2.02 Å. Both Fe(2)-F(2) bond lengths are 2.09 Å. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(2), one F(1), and two equivalent F(4) atoms. The Fe(3)-O(1) bond length is 1.84 Å. Both Fe(3)-O(2) bond lengths are 2.01 Å. The Fe(3)-F(1) bond length is 2.59 Å. Both Fe(3)-F(4) bond lengths are 2.13 Å. In the fourth Fe site, Fe(4) is bonded to two equivalent O(2), one F(2), one F(3), and two equivalent F(4) atoms to form corner-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. Both Fe(4)-O(2) bond lengths are 1.94 Å. The Fe(4)-F(2) bond length is 2.11 Å. The Fe(4)-F(3) bond length is 2.02 Å. Both Fe(4)-F(4) bond lengths are 2.07 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted water-like geometry to one Fe(3) and two equivalent Fe(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(4) and two equivalent Fe(2) atoms. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Fe(4) and two equivalent Fe(1) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom.