Fe2O3F is Hydrophilite-derived structured and crystallizes in the monoclinic Pm space group. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(6), two equivalent O(3), and two equivalent F(2) atoms to form FeO4F2 octahedra that share corners with four equivalent Fe(6)O5F octahedra, corners with four equivalent Fe(8)O5F octahedra, and edges with two equivalent Fe(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the second Fe site, Fe(2) is bonded to one O(9), two equivalent O(12), two equivalent O(4), and one F(1) atom to form FeO5F octahedra that share corners with four equivalent Fe(5)O4F2 octahedra, corners with four equivalent Fe(6)O5F octahedra, and edges with two equivalent Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the third Fe site, Fe(3) is bonded to one O(10), one O(7), two equivalent O(1), and two equivalent F(3) atoms to form FeO4F2 octahedra that share corners with four equivalent Fe(5)O4F2 octahedra, corners with four equivalent Fe(7)O5F octahedra, and edges with two equivalent Fe(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the fourth Fe site, Fe(4) is bonded to one O(5), one O(8), two equivalent O(2), and two equivalent F(4) atoms to form FeO4F2 octahedra that share corners with four equivalent Fe(7)O5F octahedra, corners with four equivalent Fe(8)O5F octahedra, and edges with two equivalent Fe(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(12), two equivalent O(10), and two equivalent F(1) atoms to form FeO4F2 octahedra that share corners with four equivalent Fe(3)O4F2 octahedra, corners with four equivalent Fe(2)O5F octahedra, and edges with two equivalent Fe(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the sixth Fe site, Fe(6) is bonded to one O(4), two equivalent O(6), two equivalent O(9), and one F(2) atom to form FeO5F octahedra that share corners with four equivalent Fe(1)O4F2 octahedra, corners with four equivalent Fe(2)O5F octahedra, and edges with two equivalent Fe(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the seventh Fe site, Fe(7) is bonded to one O(2), two equivalent O(7), two equivalent O(8), and one F(3) atom to form FeO5F octahedra that share corners with four equivalent Fe(3)O4F2 octahedra, corners with four equivalent Fe(4)O4F2 octahedra, and edges with two equivalent Fe(7)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-50°. In the eighth Fe site, Fe(8) is bonded to one O(3), two equivalent O(11), two equivalent O(5), and one F(4) atom to form FeO5F octahedra that share corners with four equivalent Fe(1)O4F2 octahedra, corners with four equivalent Fe(4)O4F2 octahedra, and edges with two equivalent Fe(8)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(5) and two equivalent Fe(3) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(7) and two equivalent Fe(4) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(8) and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(6) and two equivalent Fe(2) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(4) and two equivalent Fe(8) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(6) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(7) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Fe(4) and two equivalent Fe(7) atoms. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(6) atoms. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(5) atoms. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(8) atoms. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Fe(5) and two equivalent Fe(2) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Fe(2) and two equivalent Fe(5) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(6) and two equivalent Fe(1) atoms. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Fe(7) and two equivalent Fe(3) atoms. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Fe(8) and two equivalent Fe(4) atoms.
Fe2O3F is Hydrophilite-derived structured and crystallizes in the monoclinic Pm space group. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(6), two equivalent O(3), and two equivalent F(2) atoms to form FeO4F2 octahedra that share corners with four equivalent Fe(6)O5F octahedra, corners with four equivalent Fe(8)O5F octahedra, and edges with two equivalent Fe(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. The Fe(1)-O(11) bond length is 1.93 Å. The Fe(1)-O(6) bond length is 2.05 Å. Both Fe(1)-O(3) bond lengths are 1.93 Å. Both Fe(1)-F(2) bond lengths are 2.10 Å. In the second Fe site, Fe(2) is bonded to one O(9), two equivalent O(12), two equivalent O(4), and one F(1) atom to form FeO5F octahedra that share corners with four equivalent Fe(5)O4F2 octahedra, corners with four equivalent Fe(6)O5F octahedra, and edges with two equivalent Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-51°. The Fe(2)-O(9) bond length is 2.03 Å. Both Fe(2)-O(12) bond lengths are 1.95 Å. Both Fe(2)-O(4) bond lengths are 1.94 Å. The Fe(2)-F(1) bond length is 2.21 Å. In the third Fe site, Fe(3) is bonded to one O(10), one O(7), two equivalent O(1), and two equivalent F(3) atoms to form FeO4F2 octahedra that share corners with four equivalent Fe(5)O4F2 octahedra, corners with four equivalent Fe(7)O5F octahedra, and edges with two equivalent Fe(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. The Fe(3)-O(10) bond length is 2.03 Å. The Fe(3)-O(7) bond length is 1.94 Å. Both Fe(3)-O(1) bond lengths are 1.95 Å. Both Fe(3)-F(3) bond lengths are 2.07 Å. In the fourth Fe site, Fe(4) is bonded to one O(5), one O(8), two equivalent O(2), and two equivalent F(4) atoms to form FeO4F2 octahedra that share corners with four equivalent Fe(7)O5F octahedra, corners with four equivalent Fe(8)O5F octahedra, and edges with two equivalent Fe(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. The Fe(4)-O(5) bond length is 1.98 Å. The Fe(4)-O(8) bond length is 1.99 Å. Both Fe(4)-O(2) bond lengths are 1.95 Å. Both Fe(4)-F(4) bond lengths are 2.08 Å. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(12), two equivalent O(10), and two equivalent F(1) atoms to form FeO4F2 octahedra that share corners with four equivalent Fe(3)O4F2 octahedra, corners with four equivalent Fe(2)O5F octahedra, and edges with two equivalent Fe(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. The Fe(5)-O(1) bond length is 1.92 Å. The Fe(5)-O(12) bond length is 1.98 Å. Both Fe(5)-O(10) bond lengths are 1.92 Å. Both Fe(5)-F(1) bond lengths are 2.10 Å. In the sixth Fe site, Fe(6) is bonded to one O(4), two equivalent O(6), two equivalent O(9), and one F(2) atom to form FeO5F octahedra that share corners with four equivalent Fe(1)O4F2 octahedra, corners with four equivalent Fe(2)O5F octahedra, and edges with two equivalent Fe(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-51°. The Fe(6)-O(4) bond length is 2.03 Å. Both Fe(6)-O(6) bond lengths are 1.94 Å. Both Fe(6)-O(9) bond lengths are 1.94 Å. The Fe(6)-F(2) bond length is 2.25 Å. In the seventh Fe site, Fe(7) is bonded to one O(2), two equivalent O(7), two equivalent O(8), and one F(3) atom to form FeO5F octahedra that share corners with four equivalent Fe(3)O4F2 octahedra, corners with four equivalent Fe(4)O4F2 octahedra, and edges with two equivalent Fe(7)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-50°. The Fe(7)-O(2) bond length is 1.97 Å. Both Fe(7)-O(7) bond lengths are 1.96 Å. Both Fe(7)-O(8) bond lengths are 1.96 Å. The Fe(7)-F(3) bond length is 2.31 Å. In the eighth Fe site, Fe(8) is bonded to one O(3), two equivalent O(11), two equivalent O(5), and one F(4) atom to form FeO5F octahedra that share corners with four equivalent Fe(1)O4F2 octahedra, corners with four equivalent Fe(4)O4F2 octahedra, and edges with two equivalent Fe(8)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-51°. The Fe(8)-O(3) bond length is 1.99 Å. Both Fe(8)-O(11) bond lengths are 1.97 Å. Both Fe(8)-O(5) bond lengths are 1.96 Å. The Fe(8)-F(4) bond length is 2.22 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(5) and two equivalent Fe(3) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(7) and two equivalent Fe(4) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(8) and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(6) and two equivalent Fe(2) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(4) and two equivalent Fe(8) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(6) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(7) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Fe(4) and two equivalent Fe(7) atoms. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(6) atoms. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(5) atoms. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(8) atoms. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Fe(5) and two equivalent Fe(2) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Fe(2) and two equivalent Fe(5) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(6) and two equivalent Fe(1) atoms. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Fe(7) and two equivalent Fe(3) atoms. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Fe(8) and two equivalent Fe(4) atoms.