FeOF is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), two equivalent O(3), one F(3), 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 48-53°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one F(1), one F(2), and one F(3) atom to form a mixture of edge and corner-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. In the third Fe site, Fe(3) is bonded to one O(2), two equivalent O(1), one F(3), 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 45-56°. There are three 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(3) 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(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(1) atoms. There are three 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 T-shaped geometry to one Fe(2) and two equivalent Fe(3) atoms. 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(3) atom.
FeOF is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), two equivalent O(3), one F(3), 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 48-53°. The Fe(1)-O(2) bond length is 1.96 Å. There is one shorter (1.93 Å) and one longer (1.95 Å) Fe(1)-O(3) bond length. The Fe(1)-F(3) bond length is 2.07 Å. There is one shorter (2.08 Å) and one longer (2.24 Å) Fe(1)-F(1) bond length. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one F(1), one F(2), and one F(3) atom to form a mixture of edge and corner-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. 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(3) bond length is 1.96 Å. The Fe(2)-F(1) bond length is 2.07 Å. The Fe(2)-F(2) bond length is 2.08 Å. The Fe(2)-F(3) bond length is 2.20 Å. In the third Fe site, Fe(3) is bonded to one O(2), two equivalent O(1), one F(3), 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 45-56°. The Fe(3)-O(2) bond length is 1.93 Å. There is one shorter (1.93 Å) and one longer (1.94 Å) Fe(3)-O(1) bond length. The Fe(3)-F(3) bond length is 2.14 Å. There is one shorter (2.15 Å) and one longer (2.20 Å) Fe(3)-F(2) bond length. There are three 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(3) 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(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(1) atoms. There are three 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 T-shaped geometry to one Fe(2) and two equivalent Fe(3) atoms. 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(3) atom.