Fe2O3F is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(15), one O(3), one O(4), one O(6), one O(9), and one F(3) atom to form FeO5F octahedra that share corners with two equivalent Fe(6)O4F2 octahedra, corners with two equivalent Fe(7)O4F2 octahedra, corners with two equivalent Fe(9)O4F2 octahedra, corners with two equivalent Fe(10)O5F octahedra,  an edgeedge with one Fe(4)O4F2 octahedra, and  an edgeedge with one Fe(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 48-54°. In the second Fe site, Fe(2) is bonded to one O(11), one O(12), one O(13), one O(7), one O(8), and one F(2) atom to form FeO5F octahedra that share corners with two equivalent Fe(7)O4F2 octahedra, corners with two equivalent Fe(8)O4F2 octahedra, corners with two equivalent Fe(9)O4F2 octahedra, corners with two equivalent Fe(10)O5F octahedra,  an edgeedge with one Fe(4)O4F2 octahedra, and  an edgeedge with one Fe(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the third Fe site, Fe(3) is bonded to one O(10), one O(14), one O(4), one O(5), one O(9), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(6)O4F2 octahedra, corners with two equivalent Fe(7)O4F2 octahedra, corners with two equivalent Fe(8)O4F2 octahedra, corners with two equivalent Fe(10)O5F octahedra,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-55°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(12), one O(6), one O(7), one F(3), and one F(5) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(6)O4F2 octahedra, corners with two equivalent Fe(8)O4F2 octahedra, corners with two equivalent Fe(9)O4F2 octahedra, corners with two equivalent Fe(10)O5F octahedra,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(11), one O(2), one O(5), one O(8), and one F(4) atom to form FeO5F octahedra that share corners with two equivalent Fe(6)O4F2 octahedra, corners with two equivalent Fe(7)O4F2 octahedra, corners with two equivalent Fe(8)O4F2 octahedra, corners with two equivalent Fe(9)O4F2 octahedra,  an edgeedge with one Fe(2)O5F octahedra, and  an edgeedge with one Fe(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(14), one O(3), one O(5), one F(3), and one F(4) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(4)O4F2 octahedra, corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(5)O5F octahedra,  an edgeedge with one Fe(7)O4F2 octahedra, and  an edgeedge with one Fe(10)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-55°. In the seventh Fe site, Fe(7) is bonded to one O(13), one O(3), one O(8), one O(9), one F(1), and one F(4) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(5)O5F octahedra,  an edgeedge with one Fe(6)O4F2 octahedra, and  an edgeedge with one Fe(8)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the eighth Fe site, Fe(8) is bonded to one O(10), one O(13), one O(2), one O(7), one F(1), and one F(5) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(4)O4F2 octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(5)O5F octahedra,  an edgeedge with one Fe(7)O4F2 octahedra, and  an edgeedge with one Fe(9)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the ninth Fe site, Fe(9) is bonded to one O(11), one O(15), one O(2), one O(6), one F(2), and one F(5) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(4)O4F2 octahedra, corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(5)O5F octahedra,  an edgeedge with one Fe(8)O4F2 octahedra, and  an edgeedge with one Fe(10)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the tenth Fe site, Fe(10) is bonded to one O(1), one O(12), one O(14), one O(15), one O(4), and one F(2) atom to form FeO5F octahedra that share corners with two equivalent Fe(4)O4F2 octahedra, corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra,  an edgeedge with one Fe(6)O4F2 octahedra, and  an edgeedge with one Fe(9)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(10), one Fe(4), and one Fe(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(5), one Fe(8), and one Fe(9) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Fe(6), and one Fe(7) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1), one Fe(10), and one Fe(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(9) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(8) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(7) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(7) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(8) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(9) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Fe(10), one Fe(2), and one Fe(4) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Fe(2), one Fe(7), and one Fe(8) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Fe(10), one Fe(3), and one Fe(6) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Fe(1), one Fe(10), and one Fe(9) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(7), and one Fe(8) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(10), one Fe(2), and one Fe(9) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Fe(5), one Fe(6), and one Fe(7) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(8), and one Fe(9) atom.
Fe2O3F is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(15), one O(3), one O(4), one O(6), one O(9), and one F(3) atom to form FeO5F octahedra that share corners with two equivalent Fe(6)O4F2 octahedra, corners with two equivalent Fe(7)O4F2 octahedra, corners with two equivalent Fe(9)O4F2 octahedra, corners with two equivalent Fe(10)O5F octahedra,  an edgeedge with one Fe(4)O4F2 octahedra, and  an edgeedge with one Fe(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 48-54°. The Fe(1)-O(15) bond length is 2.10 Å. The Fe(1)-O(3) bond length is 2.06 Å. The Fe(1)-O(4) bond length is 1.94 Å. The Fe(1)-O(6) bond length is 1.95 Å. The Fe(1)-O(9) bond length is 1.97 Å. The Fe(1)-F(3) bond length is 2.07 Å. In the second Fe site, Fe(2) is bonded to one O(11), one O(12), one O(13), one O(7), one O(8), and one F(2) atom to form FeO5F octahedra that share corners with two equivalent Fe(7)O4F2 octahedra, corners with two equivalent Fe(8)O4F2 octahedra, corners with two equivalent Fe(9)O4F2 octahedra, corners with two equivalent Fe(10)O5F octahedra,  an edgeedge with one Fe(4)O4F2 octahedra, and  an edgeedge with one Fe(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-54°. The Fe(2)-O(11) bond length is 1.99 Å. The Fe(2)-O(12) bond length is 1.97 Å. The Fe(2)-O(13) bond length is 1.98 Å. The Fe(2)-O(7) bond length is 1.99 Å. The Fe(2)-O(8) bond length is 1.97 Å. The Fe(2)-F(2) bond length is 2.23 Å. In the third Fe site, Fe(3) is bonded to one O(10), one O(14), one O(4), one O(5), one O(9), and one F(1) atom to form FeO5F octahedra that share corners with two equivalent Fe(6)O4F2 octahedra, corners with two equivalent Fe(7)O4F2 octahedra, corners with two equivalent Fe(8)O4F2 octahedra, corners with two equivalent Fe(10)O5F octahedra,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-55°. The Fe(3)-O(10) bond length is 1.97 Å. The Fe(3)-O(14) bond length is 1.94 Å. The Fe(3)-O(4) bond length is 1.96 Å. The Fe(3)-O(5) bond length is 1.94 Å. The Fe(3)-O(9) bond length is 1.94 Å. The Fe(3)-F(1) bond length is 2.17 Å. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(12), one O(6), one O(7), one F(3), and one F(5) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(6)O4F2 octahedra, corners with two equivalent Fe(8)O4F2 octahedra, corners with two equivalent Fe(9)O4F2 octahedra, corners with two equivalent Fe(10)O5F octahedra,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-53°. The Fe(4)-O(1) bond length is 1.91 Å. The Fe(4)-O(12) bond length is 1.99 Å. The Fe(4)-O(6) bond length is 2.00 Å. The Fe(4)-O(7) bond length is 1.94 Å. The Fe(4)-F(3) bond length is 2.10 Å. The Fe(4)-F(5) bond length is 2.13 Å. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(11), one O(2), one O(5), one O(8), and one F(4) atom to form FeO5F octahedra that share corners with two equivalent Fe(6)O4F2 octahedra, corners with two equivalent Fe(7)O4F2 octahedra, corners with two equivalent Fe(8)O4F2 octahedra, corners with two equivalent Fe(9)O4F2 octahedra,  an edgeedge with one Fe(2)O5F octahedra, and  an edgeedge with one Fe(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-53°. The Fe(5)-O(10) bond length is 1.96 Å. The Fe(5)-O(11) bond length is 1.92 Å. The Fe(5)-O(2) bond length is 1.99 Å. The Fe(5)-O(5) bond length is 1.94 Å. The Fe(5)-O(8) bond length is 1.92 Å. The Fe(5)-F(4) bond length is 2.30 Å. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(14), one O(3), one O(5), one F(3), and one F(4) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(4)O4F2 octahedra, corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(5)O5F octahedra,  an edgeedge with one Fe(7)O4F2 octahedra, and  an edgeedge with one Fe(10)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-55°. The Fe(6)-O(1) bond length is 1.91 Å. The Fe(6)-O(14) bond length is 1.94 Å. The Fe(6)-O(3) bond length is 1.93 Å. The Fe(6)-O(5) bond length is 1.94 Å. The Fe(6)-F(3) bond length is 2.09 Å. The Fe(6)-F(4) bond length is 2.08 Å. In the seventh Fe site, Fe(7) is bonded to one O(13), one O(3), one O(8), one O(9), one F(1), and one F(4) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(5)O5F octahedra,  an edgeedge with one Fe(6)O4F2 octahedra, and  an edgeedge with one Fe(8)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. The Fe(7)-O(13) bond length is 1.94 Å. The Fe(7)-O(3) bond length is 1.98 Å. The Fe(7)-O(8) bond length is 1.98 Å. The Fe(7)-O(9) bond length is 2.01 Å. The Fe(7)-F(1) bond length is 2.03 Å. The Fe(7)-F(4) bond length is 2.01 Å. In the eighth Fe site, Fe(8) is bonded to one O(10), one O(13), one O(2), one O(7), one F(1), and one F(5) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(4)O4F2 octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra, corners with two equivalent Fe(5)O5F octahedra,  an edgeedge with one Fe(7)O4F2 octahedra, and  an edgeedge with one Fe(9)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. The Fe(8)-O(10) bond length is 1.96 Å. The Fe(8)-O(13) bond length is 1.92 Å. The Fe(8)-O(2) bond length is 1.97 Å. The Fe(8)-O(7) bond length is 1.89 Å. The Fe(8)-F(1) bond length is 2.07 Å. The Fe(8)-F(5) bond length is 2.09 Å. In the ninth Fe site, Fe(9) is bonded to one O(11), one O(15), one O(2), one O(6), one F(2), and one F(5) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(4)O4F2 octahedra, corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(5)O5F octahedra,  an edgeedge with one Fe(8)O4F2 octahedra, and  an edgeedge with one Fe(10)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-54°. The Fe(9)-O(11) bond length is 1.95 Å. The Fe(9)-O(15) bond length is 1.92 Å. The Fe(9)-O(2) bond length is 1.96 Å. The Fe(9)-O(6) bond length is 1.93 Å. The Fe(9)-F(2) bond length is 2.02 Å. The Fe(9)-F(5) bond length is 2.05 Å. In the tenth Fe site, Fe(10) is bonded to one O(1), one O(12), one O(14), one O(15), one O(4), and one F(2) atom to form FeO5F octahedra that share corners with two equivalent Fe(4)O4F2 octahedra, corners with two equivalent Fe(1)O5F octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with two equivalent Fe(3)O5F octahedra,  an edgeedge with one Fe(6)O4F2 octahedra, and  an edgeedge with one Fe(9)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. The Fe(10)-O(1) bond length is 1.99 Å. The Fe(10)-O(12) bond length is 1.92 Å. The Fe(10)-O(14) bond length is 1.96 Å. The Fe(10)-O(15) bond length is 1.98 Å. The Fe(10)-O(4) bond length is 2.01 Å. The Fe(10)-F(2) bond length is 2.12 Å. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(10), one Fe(4), and one Fe(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(5), one Fe(8), and one Fe(9) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Fe(6), and one Fe(7) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1), one Fe(10), and one Fe(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(9) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(8) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(7) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(7) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(8) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(9) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Fe(10), one Fe(2), and one Fe(4) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Fe(2), one Fe(7), and one Fe(8) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Fe(10), one Fe(3), and one Fe(6) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Fe(1), one Fe(10), and one Fe(9) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(7), and one Fe(8) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(10), one Fe(2), and one Fe(9) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Fe(5), one Fe(6), and one Fe(7) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Fe(4), one Fe(8), and one Fe(9) atom.