FeOF is Hydrophilite-derived structured and crystallizes in the orthorhombic Ama2 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), two equivalent O(1), one F(1), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the second Fe site, Fe(2) is bonded to one O(1), two equivalent O(2), one F(2), and two equivalent F(1) atoms to form a mixture of edge and corner-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 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(1) and two equivalent Fe(2) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(2) and two equivalent Fe(1) atoms.
FeOF is Hydrophilite-derived structured and crystallizes in the orthorhombic Ama2 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), two equivalent O(1), one F(1), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. The Fe(1)-O(2) bond length is 1.93 Å. Both Fe(1)-O(1) bond lengths are 1.94 Å. The Fe(1)-F(1) bond length is 2.22 Å. Both Fe(1)-F(2) bond lengths are 2.13 Å. In the second Fe site, Fe(2) is bonded to one O(1), two equivalent O(2), one F(2), and two equivalent F(1) atoms to form a mixture of edge and corner-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. The Fe(2)-O(1) bond length is 1.95 Å. Both Fe(2)-O(2) bond lengths are 1.96 Å. The Fe(2)-F(2) bond length is 2.18 Å. Both Fe(2)-F(1) bond lengths are 2.08 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 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(1) and two equivalent Fe(2) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(2) and two equivalent Fe(1) atoms.