MgFe6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(3), one O(7), one F(1), one F(3), and one F(5) atom to form MgO3F3 octahedra that share corners with two equivalent Fe(1)O3F3 octahedra, corners with two equivalent Fe(3)O3F3 octahedra,  a cornercorner with one Fe(6)O4F square pyramid,  an edgeedge with one Fe(6)O4F square pyramid, and faces with two equivalent Fe(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-47°. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(5), one O(7), one F(1), one F(2), and one F(4) atom to form FeO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with three equivalent Fe(5)O4F square pyramids,  an edgeedge with one Fe(2)O3F3 octahedra, and  an edgeedge with one Fe(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-45°. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(7), one F(1), one F(3), and one F(5) atom to form distorted FeO3F3 octahedra that share corners with three equivalent Fe(6)O4F square pyramids,  an edgeedge with one Fe(1)O3F3 octahedra,  an edgeedge with one Fe(3)O3F3 octahedra, and faces with two equivalent Mg(1)O3F3 octahedra. In the third Fe site, Fe(3) is bonded to one O(1), one O(4), one O(6), one F(2), one F(4), and one F(5) atom to form FeO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with three equivalent Fe(5)O4F square pyramids, corners with three equivalent Fe(6)O4F square pyramids,  an edgeedge with one Fe(1)O3F3 octahedra, and  an edgeedge with one Fe(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-47°. In the fourth Fe site, Fe(4) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), one O(7), and one F(3) atom. In the fifth Fe site, Fe(5) is bonded to one O(2), one O(4), one O(5), one O(6), and one F(2) atom to form FeO4F square pyramids that share corners with three equivalent Fe(1)O3F3 octahedra, corners with three equivalent Fe(3)O3F3 octahedra, and  an edgeedge with one Fe(6)O4F square pyramid. The corner-sharing octahedral tilt angles range from 46-48°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(3), one O(4), one O(6), and one F(3) atom to form distorted FeO4F square pyramids that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with three equivalent Fe(2)O3F3 octahedra, corners with three equivalent Fe(3)O3F3 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra, and  an edgeedge with one Fe(5)O4F square pyramid. The corner-sharing octahedral tilt angles range from 41-70°. 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(3), and one Fe(6) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(5) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one Fe(2), one Fe(4), and one Fe(6) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(4), and one Fe(5) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to 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(2), and one Fe(4) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a T-shaped geometry to one Mg(1), one Fe(1), and one Fe(2) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(3), and one Fe(5) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(2), one Fe(4), and one Fe(6) atom. In the fourth F site, F(4) is bonded in a water-like geometry to one Fe(1) and one Fe(3) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(2), and one Fe(3) atom.
MgFe6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(3), one O(7), one F(1), one F(3), and one F(5) atom to form MgO3F3 octahedra that share corners with two equivalent Fe(1)O3F3 octahedra, corners with two equivalent Fe(3)O3F3 octahedra,  a cornercorner with one Fe(6)O4F square pyramid,  an edgeedge with one Fe(6)O4F square pyramid, and faces with two equivalent Fe(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-47°. The Mg(1)-O(1) bond length is 2.12 Å. The Mg(1)-O(3) bond length is 2.00 Å. The Mg(1)-O(7) bond length is 2.10 Å. The Mg(1)-F(1) bond length is 2.07 Å. The Mg(1)-F(3) bond length is 1.96 Å. The Mg(1)-F(5) bond length is 2.12 Å. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(5), one O(7), one F(1), one F(2), and one F(4) atom to form FeO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with three equivalent Fe(5)O4F square pyramids,  an edgeedge with one Fe(2)O3F3 octahedra, and  an edgeedge with one Fe(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-45°. The Fe(1)-O(2) bond length is 2.00 Å. The Fe(1)-O(5) bond length is 1.99 Å. The Fe(1)-O(7) bond length is 2.00 Å. The Fe(1)-F(1) bond length is 2.09 Å. The Fe(1)-F(2) bond length is 2.26 Å. The Fe(1)-F(4) bond length is 1.95 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(7), one F(1), one F(3), and one F(5) atom to form distorted FeO3F3 octahedra that share corners with three equivalent Fe(6)O4F square pyramids,  an edgeedge with one Fe(1)O3F3 octahedra,  an edgeedge with one Fe(3)O3F3 octahedra, and faces with two equivalent Mg(1)O3F3 octahedra. The Fe(2)-O(1) bond length is 2.07 Å. The Fe(2)-O(3) bond length is 2.01 Å. The Fe(2)-O(7) bond length is 2.17 Å. The Fe(2)-F(1) bond length is 2.08 Å. The Fe(2)-F(3) bond length is 2.13 Å. The Fe(2)-F(5) bond length is 2.10 Å. In the third Fe site, Fe(3) is bonded to one O(1), one O(4), one O(6), one F(2), one F(4), and one F(5) atom to form FeO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with three equivalent Fe(5)O4F square pyramids, corners with three equivalent Fe(6)O4F square pyramids,  an edgeedge with one Fe(1)O3F3 octahedra, and  an edgeedge with one Fe(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-47°. The Fe(3)-O(1) bond length is 2.01 Å. The Fe(3)-O(4) bond length is 2.00 Å. The Fe(3)-O(6) bond length is 1.99 Å. The Fe(3)-F(2) bond length is 2.11 Å. The Fe(3)-F(4) bond length is 2.06 Å. The Fe(3)-F(5) bond length is 2.16 Å. In the fourth Fe site, Fe(4) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), one O(7), and one F(3) atom. The Fe(4)-O(2) bond length is 1.90 Å. The Fe(4)-O(3) bond length is 1.96 Å. The Fe(4)-O(5) bond length is 1.94 Å. The Fe(4)-O(7) bond length is 1.95 Å. The Fe(4)-F(3) bond length is 2.51 Å. In the fifth Fe site, Fe(5) is bonded to one O(2), one O(4), one O(5), one O(6), and one F(2) atom to form FeO4F square pyramids that share corners with three equivalent Fe(1)O3F3 octahedra, corners with three equivalent Fe(3)O3F3 octahedra, and  an edgeedge with one Fe(6)O4F square pyramid. The corner-sharing octahedral tilt angles range from 46-48°. The Fe(5)-O(2) bond length is 2.00 Å. The Fe(5)-O(4) bond length is 2.00 Å. The Fe(5)-O(5) bond length is 2.01 Å. The Fe(5)-O(6) bond length is 1.99 Å. The Fe(5)-F(2) bond length is 2.10 Å. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(3), one O(4), one O(6), and one F(3) atom to form distorted FeO4F square pyramids that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with three equivalent Fe(2)O3F3 octahedra, corners with three equivalent Fe(3)O3F3 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra, and  an edgeedge with one Fe(5)O4F square pyramid. The corner-sharing octahedral tilt angles range from 41-70°. The Fe(6)-O(1) bond length is 1.97 Å. The Fe(6)-O(3) bond length is 2.04 Å. The Fe(6)-O(4) bond length is 1.93 Å. The Fe(6)-O(6) bond length is 1.93 Å. The Fe(6)-F(3) bond length is 2.13 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(3), and one Fe(6) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(5) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one Fe(2), one Fe(4), and one Fe(6) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(4), and one Fe(5) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to 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(2), and one Fe(4) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a T-shaped geometry to one Mg(1), one Fe(1), and one Fe(2) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(3), and one Fe(5) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(2), one Fe(4), and one Fe(6) atom. In the fourth F site, F(4) is bonded in a water-like geometry to one Fe(1) and one Fe(3) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(2), and one Fe(3) atom.