MgFe6O11F crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(4), one O(6), one O(7), one O(9), and one F(1) atom to form MgO5F octahedra that share corners with two equivalent Fe(4)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra, edges with two equivalent Fe(1)O5F octahedra, and edges with two equivalent Fe(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 39-48°. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(3), one O(4), one O(7), and one F(1) atom to form FeO5F octahedra that share corners with four equivalent Fe(4)O6 octahedra,  an edgeedge with one Fe(3)O5F octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-63°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(11), one O(2), one O(5), and one O(8) atom to form FeO6 octahedra that share corners with four equivalent Fe(4)O6 octahedra, corners with four equivalent Fe(6)O6 octahedra,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-48°. In the third Fe site, Fe(3) is bonded to one O(11), one O(2), one O(3), one O(6), one O(9), and one F(1) atom to form FeO5F octahedra that share corners with four equivalent Fe(6)O6 octahedra,  an edgeedge with one Fe(1)O5F octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-63°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(10), one O(4), one O(5), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Mg(1)O5F octahedra, corners with four equivalent Fe(1)O5F octahedra, corners with four equivalent Fe(2)O6 octahedra, and  an edgeedge with one Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-63°. In the fifth Fe site, Fe(5) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(6), one O(7), one O(9), and one F(1) atom. In the sixth Fe site, Fe(6) is bonded to one O(11), one O(2), one O(5), one O(6), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Mg(1)O5F octahedra, corners with four equivalent Fe(3)O5F octahedra, corners with four equivalent Fe(2)O6 octahedra, and  an edgeedge with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-63°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(3), and one Fe(6) atom. In the third O site, O(3) is bonded in a trigonal pyramidal geometry to one Mg(1), one Fe(1), one Fe(3), and one Fe(5) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(4), and one Fe(5) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(6) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(3), one Fe(5), and one Fe(6) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(4), and one Fe(5) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(6) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(3), one Fe(5), and one Fe(6) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(3), and one Fe(6) atom. F(1) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), one Fe(3), and one Fe(5) atom.
MgFe6O11F crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(4), one O(6), one O(7), one O(9), and one F(1) atom to form MgO5F octahedra that share corners with two equivalent Fe(4)O6 octahedra, corners with two equivalent Fe(6)O6 octahedra, edges with two equivalent Fe(1)O5F octahedra, and edges with two equivalent Fe(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 39-48°. The Mg(1)-O(3) bond length is 1.97 Å. The Mg(1)-O(4) bond length is 2.05 Å. The Mg(1)-O(6) bond length is 2.05 Å. The Mg(1)-O(7) bond length is 2.09 Å. The Mg(1)-O(9) bond length is 2.09 Å. The Mg(1)-F(1) bond length is 1.89 Å. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(3), one O(4), one O(7), and one F(1) atom to form FeO5F octahedra that share corners with four equivalent Fe(4)O6 octahedra,  an edgeedge with one Fe(3)O5F octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-63°. The Fe(1)-O(1) bond length is 1.87 Å. The Fe(1)-O(10) bond length is 1.90 Å. The Fe(1)-O(3) bond length is 2.01 Å. The Fe(1)-O(4) bond length is 2.14 Å. The Fe(1)-O(7) bond length is 2.08 Å. The Fe(1)-F(1) bond length is 2.22 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(11), one O(2), one O(5), and one O(8) atom to form FeO6 octahedra that share corners with four equivalent Fe(4)O6 octahedra, corners with four equivalent Fe(6)O6 octahedra,  an edgeedge with one Fe(1)O5F octahedra, and  an edgeedge with one Fe(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-48°. The Fe(2)-O(1) bond length is 1.95 Å. The Fe(2)-O(10) bond length is 1.96 Å. The Fe(2)-O(11) bond length is 1.96 Å. The Fe(2)-O(2) bond length is 1.94 Å. The Fe(2)-O(5) bond length is 2.04 Å. The Fe(2)-O(8) bond length is 2.03 Å. In the third Fe site, Fe(3) is bonded to one O(11), one O(2), one O(3), one O(6), one O(9), and one F(1) atom to form FeO5F octahedra that share corners with four equivalent Fe(6)O6 octahedra,  an edgeedge with one Fe(1)O5F octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-63°. The Fe(3)-O(11) bond length is 1.89 Å. The Fe(3)-O(2) bond length is 1.87 Å. The Fe(3)-O(3) bond length is 2.00 Å. The Fe(3)-O(6) bond length is 2.13 Å. The Fe(3)-O(9) bond length is 2.09 Å. The Fe(3)-F(1) bond length is 2.20 Å. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(10), one O(4), one O(5), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Mg(1)O5F octahedra, corners with four equivalent Fe(1)O5F octahedra, corners with four equivalent Fe(2)O6 octahedra, and  an edgeedge with one Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-63°. The Fe(4)-O(1) bond length is 2.15 Å. The Fe(4)-O(10) bond length is 2.12 Å. The Fe(4)-O(4) bond length is 2.06 Å. The Fe(4)-O(5) bond length is 1.97 Å. The Fe(4)-O(7) bond length is 2.10 Å. The Fe(4)-O(8) bond length is 1.96 Å. In the fifth Fe site, Fe(5) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(6), one O(7), one O(9), and one F(1) atom. The Fe(5)-O(3) bond length is 1.98 Å. The Fe(5)-O(4) bond length is 1.90 Å. The Fe(5)-O(6) bond length is 1.89 Å. The Fe(5)-O(7) bond length is 1.94 Å. The Fe(5)-O(9) bond length is 1.94 Å. The Fe(5)-F(1) bond length is 2.43 Å. In the sixth Fe site, Fe(6) is bonded to one O(11), one O(2), one O(5), one O(6), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Mg(1)O5F octahedra, corners with four equivalent Fe(3)O5F octahedra, corners with four equivalent Fe(2)O6 octahedra, and  an edgeedge with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-63°. The Fe(6)-O(11) bond length is 2.14 Å. The Fe(6)-O(2) bond length is 2.13 Å. The Fe(6)-O(5) bond length is 1.97 Å. The Fe(6)-O(6) bond length is 2.06 Å. The Fe(6)-O(8) bond length is 1.96 Å. The Fe(6)-O(9) bond length is 2.09 Å. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(3), and one Fe(6) atom. In the third O site, O(3) is bonded in a trigonal pyramidal geometry to one Mg(1), one Fe(1), one Fe(3), and one Fe(5) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(4), and one Fe(5) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(6) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(3), one Fe(5), and one Fe(6) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(4), and one Fe(5) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(6) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(3), one Fe(5), and one Fe(6) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(3), and one Fe(6) atom. F(1) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), one Fe(3), and one Fe(5) atom.