FeOF is Hydrophilite-derived structured and crystallizes in the triclinic P-1 space group. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(5), one O(8), one F(2), one F(3), and one F(5) atom to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), one O(5), one F(2), one F(5), and one F(8) atom to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the third Fe site, Fe(3) is bonded to one O(1), one O(4), one O(6), one F(1), one F(6), and one F(7) atom to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(6), one O(7), one F(1), one F(4), and one F(6) atom to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. In the fifth Fe site, Fe(5) is bonded to one O(1), two equivalent O(3), one F(1), and two equivalent F(3) atoms to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the sixth Fe site, Fe(6) is bonded to one O(2), two equivalent O(4), one F(2), and two equivalent F(4) atoms to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the seventh Fe site, Fe(7) is bonded to one O(5), two equivalent O(7), one F(5), and two equivalent F(7) atoms to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the eighth Fe site, Fe(8) is bonded to one O(6), two equivalent O(8), one F(6), and two equivalent F(8) atoms to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(5) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(5) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(3) and two equivalent Fe(6) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(7) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(8) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(4) and two equivalent Fe(7) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Fe(8) atoms. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(5) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(6) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(5) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Fe(4) and two equivalent Fe(6) atoms. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(7) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(8) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(7) atoms. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(8) atoms.
FeOF is Hydrophilite-derived structured and crystallizes in the triclinic P-1 space group. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(5), one O(8), one F(2), one F(3), and one F(5) atom to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. The Fe(1)-O(2) bond length is 1.95 Å. The Fe(1)-O(5) bond length is 1.94 Å. The Fe(1)-O(8) bond length is 1.92 Å. The Fe(1)-F(2) bond length is 2.10 Å. The Fe(1)-F(3) bond length is 2.25 Å. The Fe(1)-F(5) bond length is 2.08 Å. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), one O(5), one F(2), one F(5), and one F(8) atom to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. The Fe(2)-O(2) bond length is 1.94 Å. The Fe(2)-O(3) bond length is 1.92 Å. The Fe(2)-O(5) bond length is 1.95 Å. The Fe(2)-F(2) bond length is 2.08 Å. The Fe(2)-F(5) bond length is 2.09 Å. The Fe(2)-F(8) bond length is 2.25 Å. In the third Fe site, Fe(3) is bonded to one O(1), one O(4), one O(6), one F(1), one F(6), and one F(7) atom to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. The Fe(3)-O(1) bond length is 1.95 Å. The Fe(3)-O(4) bond length is 1.92 Å. The Fe(3)-O(6) bond length is 1.96 Å. The Fe(3)-F(1) bond length is 2.07 Å. The Fe(3)-F(6) bond length is 2.09 Å. The Fe(3)-F(7) bond length is 2.25 Å. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(6), one O(7), one F(1), one F(4), and one F(6) atom to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. The Fe(4)-O(1) bond length is 1.96 Å. The Fe(4)-O(6) bond length is 1.95 Å. The Fe(4)-O(7) bond length is 1.92 Å. The Fe(4)-F(1) bond length is 2.09 Å. The Fe(4)-F(4) bond length is 2.25 Å. The Fe(4)-F(6) bond length is 2.07 Å. In the fifth Fe site, Fe(5) is bonded to one O(1), two equivalent O(3), one F(1), and two equivalent F(3) atoms to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. The Fe(5)-O(1) bond length is 1.92 Å. There is one shorter (1.94 Å) and one longer (1.95 Å) Fe(5)-O(3) bond length. The Fe(5)-F(1) bond length is 2.23 Å. There is one shorter (2.09 Å) and one longer (2.11 Å) Fe(5)-F(3) bond length. In the sixth Fe site, Fe(6) is bonded to one O(2), two equivalent O(4), one F(2), and two equivalent F(4) atoms to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. The Fe(6)-O(2) bond length is 1.92 Å. There is one shorter (1.94 Å) and one longer (1.95 Å) Fe(6)-O(4) bond length. The Fe(6)-F(2) bond length is 2.24 Å. Both Fe(6)-F(4) bond lengths are 2.08 Å. In the seventh Fe site, Fe(7) is bonded to one O(5), two equivalent O(7), one F(5), and two equivalent F(7) atoms to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. The Fe(7)-O(5) bond length is 1.92 Å. Both Fe(7)-O(7) bond lengths are 1.94 Å. The Fe(7)-F(5) bond length is 2.23 Å. Both Fe(7)-F(7) bond lengths are 2.08 Å. In the eighth Fe site, Fe(8) is bonded to one O(6), two equivalent O(8), one F(6), and two equivalent F(8) atoms to form a mixture of corner and edge-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. The Fe(8)-O(6) bond length is 1.93 Å. Both Fe(8)-O(8) bond lengths are 1.95 Å. The Fe(8)-F(6) bond length is 2.23 Å. There is one shorter (2.09 Å) and one longer (2.11 Å) Fe(8)-F(8) bond length. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(5) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(5) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(3) and two equivalent Fe(6) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(7) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(8) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(4) and two equivalent Fe(7) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Fe(8) atoms. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(5) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(6) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(5) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Fe(4) and two equivalent Fe(6) atoms. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(7) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(8) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(7) atoms. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(8) atoms.