MgFe6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(7), one F(2), one F(3), and one F(4) atom to form MgO3F3 octahedra that share corners with two equivalent Fe(4)O3F3 octahedra, corners with two equivalent Fe(5)O3F3 octahedra,  an edgeedge with one Fe(1)O3F3 octahedra, edges with two equivalent Fe(2)O5F octahedra, and faces with two equivalent Fe(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), one O(5), one F(2), one F(3), and one F(5) atom to form distorted FeO3F3 octahedra that share corners with two equivalent Fe(5)O3F3 octahedra, corners with two equivalent Fe(6)O3F3 octahedra, corners with four equivalent Fe(4)O3F3 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra, and  an edgeedge with one Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 42-53°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one F(3) atom to form FeO5F octahedra that share corners with two equivalent Fe(4)O3F3 octahedra, corners with two equivalent Fe(5)O3F3 octahedra, corners with four equivalent Fe(6)O3F3 octahedra,  an edgeedge with one Fe(1)O3F3 octahedra, and edges with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 37-59°. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(5), one O(6), one F(1), and one F(4) atom. In the fourth Fe site, Fe(4) is bonded to one O(3), one O(5), one O(7), one F(1), one F(2), and one F(5) atom to form FeO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with four equivalent Fe(1)O3F3 octahedra,  an edgeedge with one Fe(5)O3F3 octahedra, and  an edgeedge with one Fe(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(4), one O(6), one F(1), one F(4), and one F(5) atom to form distorted FeO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with two equivalent Fe(1)O3F3 octahedra, corners with two equivalent Fe(2)O5F octahedra,  an edgeedge with one Fe(4)O3F3 octahedra, and  an edgeedge with one Fe(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(2), one O(7), one F(2), one F(3), and one F(4) atom to form FeO3F3 octahedra that share corners with two equivalent Fe(1)O3F3 octahedra, corners with four equivalent Fe(2)O5F octahedra,  an edgeedge with one Fe(4)O3F3 octahedra,  an edgeedge with one Fe(5)O3F3 octahedra, and faces with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 37-59°. There are seven 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(2), one Fe(5), and one Fe(6) atom. In the second O site, O(2) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one Fe(2), one Fe(3), and one Fe(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(5) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(5) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(2), one Fe(4), and one Fe(6) 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(4), and one Fe(5) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(4), and one Fe(6) atom. In the third F site, F(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Fe(6) atom. In the fourth F site, F(4) 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 fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(5) atom.
MgFe6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(7), one F(2), one F(3), and one F(4) atom to form MgO3F3 octahedra that share corners with two equivalent Fe(4)O3F3 octahedra, corners with two equivalent Fe(5)O3F3 octahedra,  an edgeedge with one Fe(1)O3F3 octahedra, edges with two equivalent Fe(2)O5F octahedra, and faces with two equivalent Fe(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. The Mg(1)-O(1) bond length is 2.05 Å. The Mg(1)-O(2) bond length is 1.98 Å. The Mg(1)-O(7) bond length is 2.03 Å. The Mg(1)-F(2) bond length is 2.17 Å. The Mg(1)-F(3) bond length is 1.99 Å. The Mg(1)-F(4) bond length is 2.07 Å. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), one O(5), one F(2), one F(3), and one F(5) atom to form distorted FeO3F3 octahedra that share corners with two equivalent Fe(5)O3F3 octahedra, corners with two equivalent Fe(6)O3F3 octahedra, corners with four equivalent Fe(4)O3F3 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra, and  an edgeedge with one Fe(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 42-53°. The Fe(1)-O(3) bond length is 1.96 Å. The Fe(1)-O(4) bond length is 1.88 Å. The Fe(1)-O(5) bond length is 2.02 Å. The Fe(1)-F(2) bond length is 2.42 Å. The Fe(1)-F(3) bond length is 2.24 Å. The Fe(1)-F(5) bond length is 2.07 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one F(3) atom to form FeO5F octahedra that share corners with two equivalent Fe(4)O3F3 octahedra, corners with two equivalent Fe(5)O3F3 octahedra, corners with four equivalent Fe(6)O3F3 octahedra,  an edgeedge with one Fe(1)O3F3 octahedra, and edges with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 37-59°. The Fe(2)-O(1) bond length is 2.07 Å. The Fe(2)-O(2) bond length is 1.91 Å. The Fe(2)-O(3) bond length is 2.03 Å. The Fe(2)-O(6) bond length is 2.06 Å. The Fe(2)-O(7) bond length is 2.25 Å. The Fe(2)-F(3) bond length is 2.11 Å. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(5), one O(6), one F(1), and one F(4) atom. The Fe(3)-O(2) bond length is 2.02 Å. The Fe(3)-O(4) bond length is 2.06 Å. The Fe(3)-O(5) bond length is 1.94 Å. The Fe(3)-O(6) bond length is 1.98 Å. The Fe(3)-F(1) bond length is 2.07 Å. The Fe(3)-F(4) bond length is 2.58 Å. In the fourth Fe site, Fe(4) is bonded to one O(3), one O(5), one O(7), one F(1), one F(2), and one F(5) atom to form FeO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with two equivalent Fe(2)O5F octahedra, corners with four equivalent Fe(1)O3F3 octahedra,  an edgeedge with one Fe(5)O3F3 octahedra, and  an edgeedge with one Fe(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. The Fe(4)-O(3) bond length is 2.02 Å. The Fe(4)-O(5) bond length is 2.02 Å. The Fe(4)-O(7) bond length is 1.91 Å. The Fe(4)-F(1) bond length is 2.28 Å. The Fe(4)-F(2) bond length is 2.28 Å. The Fe(4)-F(5) bond length is 2.03 Å. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(4), one O(6), one F(1), one F(4), and one F(5) atom to form distorted FeO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with two equivalent Fe(1)O3F3 octahedra, corners with two equivalent Fe(2)O5F octahedra,  an edgeedge with one Fe(4)O3F3 octahedra, and  an edgeedge with one Fe(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. The Fe(5)-O(1) bond length is 1.95 Å. The Fe(5)-O(4) bond length is 1.99 Å. The Fe(5)-O(6) bond length is 1.95 Å. The Fe(5)-F(1) bond length is 2.06 Å. The Fe(5)-F(4) bond length is 2.15 Å. The Fe(5)-F(5) bond length is 2.39 Å. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(2), one O(7), one F(2), one F(3), and one F(4) atom to form FeO3F3 octahedra that share corners with two equivalent Fe(1)O3F3 octahedra, corners with four equivalent Fe(2)O5F octahedra,  an edgeedge with one Fe(4)O3F3 octahedra,  an edgeedge with one Fe(5)O3F3 octahedra, and faces with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 37-59°. The Fe(6)-O(1) bond length is 2.14 Å. The Fe(6)-O(2) bond length is 1.99 Å. The Fe(6)-O(7) bond length is 2.08 Å. The Fe(6)-F(2) bond length is 2.09 Å. The Fe(6)-F(3) bond length is 2.16 Å. The Fe(6)-F(4) bond length is 2.08 Å. There are seven 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(2), one Fe(5), and one Fe(6) atom. In the second O site, O(2) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one Fe(2), one Fe(3), and one Fe(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(5) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(5) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(2), one Fe(4), and one Fe(6) 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(4), and one Fe(5) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(4), and one Fe(6) atom. In the third F site, F(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Fe(6) atom. In the fourth F site, F(4) 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 fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(5) atom.