Fe3(O2F)2 is Hydrophilite-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(5), one F(1), and one F(2) atom to form a mixture of edge and corner-sharing FeO4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing FeO4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-58°. In the third Fe site, Fe(3) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent F(1) atoms to form a mixture of edge and corner-sharing FeO4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(3), two equivalent O(4), one F(1), and one F(2) atom to form a mixture of edge and corner-sharing FeO4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-58°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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(1), one Fe(2), and one Fe(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(4) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(3) and two equivalent Fe(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom.
Fe3(O2F)2 is Hydrophilite-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(5), one F(1), and one F(2) atom to form a mixture of edge and corner-sharing FeO4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. The Fe(1)-O(1) bond length is 1.95 Å. The Fe(1)-O(2) bond length is 1.96 Å. The Fe(1)-O(3) bond length is 1.94 Å. The Fe(1)-O(5) bond length is 1.96 Å. The Fe(1)-F(1) bond length is 2.11 Å. The Fe(1)-F(2) bond length is 2.10 Å. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing FeO4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-58°. Both Fe(2)-O(2) bond lengths are 1.93 Å. Both Fe(2)-O(4) bond lengths are 1.98 Å. Both Fe(2)-F(2) bond lengths are 2.12 Å. In the third Fe site, Fe(3) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent F(1) atoms to form a mixture of edge and corner-sharing FeO4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. The Fe(3)-O(1) bond length is 1.94 Å. The Fe(3)-O(5) bond length is 1.97 Å. Both Fe(3)-O(3) bond lengths are 1.90 Å. Both Fe(3)-F(1) bond lengths are 2.04 Å. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(3), two equivalent O(4), one F(1), and one F(2) atom to form a mixture of edge and corner-sharing FeO4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-58°. The Fe(4)-O(2) bond length is 1.93 Å. The Fe(4)-O(3) bond length is 1.96 Å. Both Fe(4)-O(4) bond lengths are 1.97 Å. The Fe(4)-F(1) bond length is 2.10 Å. The Fe(4)-F(2) bond length is 2.08 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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(1), one Fe(2), and one Fe(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(4) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(3) and two equivalent Fe(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom.