MgFe4O5F3 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(1), two equivalent O(2), two equivalent O(3), and one F(3) atom to form distorted MgO5F octahedra that share edges with four equivalent Fe(3)O3F3 octahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(3), one F(1), one F(2), and one F(3) atom to form FeO3F3 octahedra that share edges with two equivalent Mg(1)O5F octahedra and edges with two equivalent Fe(3)O3F3 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), and two equivalent Fe(3) atoms. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Fe(3) atom. In the third O site, O(3) is bonded in a see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Fe(3) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to two equivalent Fe(3) atoms. In the second F site, F(2) is bonded in a distorted L-shaped geometry to two equivalent Fe(3) atoms. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Fe(3) atoms.
MgFe4O5F3 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(1), two equivalent O(2), two equivalent O(3), and one F(3) atom to form distorted MgO5F octahedra that share edges with four equivalent Fe(3)O3F3 octahedra. The Mg(1)-O(1) bond length is 2.12 Å. Both Mg(1)-O(2) bond lengths are 2.17 Å. Both Mg(1)-O(3) bond lengths are 2.07 Å. The Mg(1)-F(3) bond length is 1.95 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. The Fe(1)-O(1) bond length is 2.03 Å. Both Fe(1)-O(2) bond lengths are 2.05 Å. Both Fe(1)-O(3) bond lengths are 1.98 Å. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. Both Fe(2)-O(2) bond lengths are 2.13 Å. Both Fe(2)-O(3) bond lengths are 2.11 Å. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(3), one F(1), one F(2), and one F(3) atom to form FeO3F3 octahedra that share edges with two equivalent Mg(1)O5F octahedra and edges with two equivalent Fe(3)O3F3 octahedra. The Fe(3)-O(1) bond length is 2.00 Å. The Fe(3)-O(2) bond length is 1.95 Å. The Fe(3)-O(3) bond length is 2.02 Å. The Fe(3)-F(1) bond length is 2.00 Å. The Fe(3)-F(2) bond length is 2.06 Å. The Fe(3)-F(3) bond length is 2.13 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), and two equivalent Fe(3) atoms. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Fe(3) atom. In the third O site, O(3) is bonded in a see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Fe(3) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to two equivalent Fe(3) atoms. In the second F site, F(2) is bonded in a distorted L-shaped geometry to two equivalent Fe(3) atoms. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Fe(3) atoms.