FeOF is Hydrophilite-derived structured and crystallizes in the monoclinic Pm space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), two equivalent O(1), one F(5), and two equivalent F(6) atoms to form a mixture of edge and corner-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. 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 FeO3F3 octahedra that share corners with four equivalent Fe(3)F6 octahedra, corners with four equivalent Fe(1)O3F3 octahedra, and edges with two equivalent Fe(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the third Fe site, Fe(3) is bonded to one F(1), one F(4), two equivalent F(2), and two equivalent F(3) atoms to form FeF6 octahedra that share corners with four equivalent Fe(2)O3F3 octahedra, corners with four equivalent Fe(4)O3F3 octahedra, and edges with two equivalent Fe(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. In the fourth Fe site, Fe(4) is bonded to one O(4), two equivalent O(3), one F(3), and two equivalent F(4) atoms to form FeO3F3 octahedra that share corners with four equivalent Fe(3)F6 octahedra, corners with four equivalent Fe(5)O6 octahedra, and edges with two equivalent Fe(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the fifth Fe site, Fe(5) is bonded to one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with four equivalent Fe(4)O3F3 octahedra, corners with four equivalent Fe(6)O3F3 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the sixth Fe site, Fe(6) is bonded to one O(5), two equivalent O(6), one F(6), and two equivalent F(5) atoms to form FeO3F3 octahedra that share corners with four equivalent Fe(1)O3F3 octahedra, corners with four equivalent Fe(5)O6 octahedra, and edges with two equivalent Fe(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. There are six 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. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(5) and two equivalent Fe(4) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(4) and two equivalent Fe(5) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(6) and two equivalent Fe(5) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(5) and two equivalent Fe(6) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Fe(3) and two equivalent Fe(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar 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(4) and two equivalent Fe(3) atoms. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Fe(3) and two equivalent Fe(4) atoms. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Fe(1) and two equivalent Fe(6) atoms. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Fe(6) and two equivalent Fe(1) atoms.
FeOF is Hydrophilite-derived structured and crystallizes in the monoclinic Pm space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), two equivalent O(1), one F(5), and two equivalent F(6) atoms to form a mixture of edge and corner-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. The Fe(1)-O(2) bond length is 1.95 Å. Both Fe(1)-O(1) bond lengths are 1.93 Å. The Fe(1)-F(5) bond length is 2.11 Å. Both Fe(1)-F(6) 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 FeO3F3 octahedra that share corners with four equivalent Fe(3)F6 octahedra, corners with four equivalent Fe(1)O3F3 octahedra, and edges with two equivalent Fe(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. The Fe(2)-O(1) bond length is 1.93 Å. Both Fe(2)-O(2) bond lengths are 1.93 Å. The Fe(2)-F(2) bond length is 2.09 Å. Both Fe(2)-F(1) bond lengths are 2.17 Å. In the third Fe site, Fe(3) is bonded to one F(1), one F(4), two equivalent F(2), and two equivalent F(3) atoms to form FeF6 octahedra that share corners with four equivalent Fe(2)O3F3 octahedra, corners with four equivalent Fe(4)O3F3 octahedra, and edges with two equivalent Fe(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. The Fe(3)-F(1) bond length is 2.07 Å. The Fe(3)-F(4) bond length is 2.04 Å. Both Fe(3)-F(2) bond lengths are 2.09 Å. Both Fe(3)-F(3) bond lengths are 2.08 Å. In the fourth Fe site, Fe(4) is bonded to one O(4), two equivalent O(3), one F(3), and two equivalent F(4) atoms to form FeO3F3 octahedra that share corners with four equivalent Fe(3)F6 octahedra, corners with four equivalent Fe(5)O6 octahedra, and edges with two equivalent Fe(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. The Fe(4)-O(4) bond length is 1.91 Å. Both Fe(4)-O(3) bond lengths are 1.91 Å. The Fe(4)-F(3) bond length is 2.11 Å. Both Fe(4)-F(4) bond lengths are 2.18 Å. In the fifth Fe site, Fe(5) is bonded to one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with four equivalent Fe(4)O3F3 octahedra, corners with four equivalent Fe(6)O3F3 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. The Fe(5)-O(3) bond length is 2.02 Å. The Fe(5)-O(6) bond length is 2.02 Å. Both Fe(5)-O(4) bond lengths are 2.01 Å. Both Fe(5)-O(5) bond lengths are 2.00 Å. In the sixth Fe site, Fe(6) is bonded to one O(5), two equivalent O(6), one F(6), and two equivalent F(5) atoms to form FeO3F3 octahedra that share corners with four equivalent Fe(1)O3F3 octahedra, corners with four equivalent Fe(5)O6 octahedra, and edges with two equivalent Fe(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. The Fe(6)-O(5) bond length is 1.92 Å. Both Fe(6)-O(6) bond lengths are 1.92 Å. The Fe(6)-F(6) bond length is 2.15 Å. Both Fe(6)-F(5) bond lengths are 2.16 Å. There are six 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. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(5) and two equivalent Fe(4) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(4) and two equivalent Fe(5) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(6) and two equivalent Fe(5) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(5) and two equivalent Fe(6) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Fe(3) and two equivalent Fe(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar 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(4) and two equivalent Fe(3) atoms. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Fe(3) and two equivalent Fe(4) atoms. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Fe(1) and two equivalent Fe(6) atoms. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Fe(6) and two equivalent Fe(1) atoms.