FeOF is Hydrophilite-derived structured and crystallizes in the monoclinic P2/m space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), two equivalent O(1), one F(3), and two equivalent F(1) atoms to form distorted FeO3F3 octahedra that share corners with four equivalent Fe(3)O2F4 octahedra, corners with four equivalent Fe(4)O4F2 octahedra, and edges with two equivalent Fe(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and four equivalent F(2) atoms to form FeO2F4 octahedra that share corners with eight equivalent Fe(4)O4F2 octahedra and edges with two equivalent Fe(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the third Fe site, Fe(3) is bonded to two equivalent O(1) and four equivalent F(3) atoms to form FeO2F4 octahedra that share corners with eight equivalent Fe(1)O3F3 octahedra and edges with two equivalent Fe(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(2), two equivalent O(3), one F(1), and one F(2) atom to form FeO4F2 octahedra that share corners with four equivalent Fe(2)O2F4 octahedra, corners with four equivalent Fe(1)O3F3 octahedra, and edges with two equivalent Fe(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. There are three 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) and two equivalent Fe(4) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(4) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Fe(4) and two equivalent Fe(1) 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 trigonal planar geometry to one Fe(1) and two equivalent Fe(3) atoms.
FeOF is Hydrophilite-derived structured and crystallizes in the monoclinic P2/m space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), two equivalent O(1), one F(3), and two equivalent F(1) atoms to form distorted FeO3F3 octahedra that share corners with four equivalent Fe(3)O2F4 octahedra, corners with four equivalent Fe(4)O4F2 octahedra, and edges with two equivalent Fe(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. The Fe(1)-O(3) bond length is 1.87 Å. Both Fe(1)-O(1) bond lengths are 1.95 Å. The Fe(1)-F(3) bond length is 2.34 Å. Both Fe(1)-F(1) bond lengths are 2.12 Å. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and four equivalent F(2) atoms to form FeO2F4 octahedra that share corners with eight equivalent Fe(4)O4F2 octahedra and edges with two equivalent Fe(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. Both Fe(2)-O(2) bond lengths are 1.90 Å. All Fe(2)-F(2) bond lengths are 2.06 Å. In the third Fe site, Fe(3) is bonded to two equivalent O(1) and four equivalent F(3) atoms to form FeO2F4 octahedra that share corners with eight equivalent Fe(1)O3F3 octahedra and edges with two equivalent Fe(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. Both Fe(3)-O(1) bond lengths are 1.93 Å. All Fe(3)-F(3) bond lengths are 2.04 Å. In the fourth Fe site, Fe(4) is bonded to two equivalent O(2), two equivalent O(3), one F(1), and one F(2) atom to form FeO4F2 octahedra that share corners with four equivalent Fe(2)O2F4 octahedra, corners with four equivalent Fe(1)O3F3 octahedra, and edges with two equivalent Fe(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. Both Fe(4)-O(2) bond lengths are 1.99 Å. Both Fe(4)-O(3) bond lengths are 1.99 Å. The Fe(4)-F(1) bond length is 2.13 Å. The Fe(4)-F(2) bond length is 2.17 Å. There are three 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) and two equivalent Fe(4) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(4) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Fe(4) and two equivalent Fe(1) 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 trigonal planar geometry to one Fe(1) and two equivalent Fe(3) atoms.