Fe3(OF2)2 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form a mixture of corner and edge-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 40-55°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), one F(1), and three equivalent F(2) atoms to form a mixture of distorted corner and edge-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 40-55°. O(1) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Fe(2) 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(2) and two equivalent Fe(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to three equivalent Fe(2) atoms.
Fe3(OF2)2 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form a mixture of corner and edge-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 40-55°. Both Fe(1)-O(1) bond lengths are 2.09 Å. There are two shorter (2.09 Å) and two longer (2.16 Å) Fe(1)-F(1) bond lengths. In the second Fe site, Fe(2) is bonded to two equivalent O(1), one F(1), and three equivalent F(2) atoms to form a mixture of distorted corner and edge-sharing FeO2F4 octahedra. The corner-sharing octahedral tilt angles range from 40-55°. There is one shorter (1.88 Å) and one longer (1.89 Å) Fe(2)-O(1) bond length. The Fe(2)-F(1) bond length is 2.01 Å. There are a spread of Fe(2)-F(2) bond distances ranging from 2.02-2.35 Å. O(1) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Fe(2) 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(2) and two equivalent Fe(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to three equivalent Fe(2) atoms.