MgFe4O7F crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one F(1) atom to form MgO5F octahedra that share corners with four equivalent Fe(2)O5F octahedra,  a cornercorner with one Fe(3)O5 trigonal bipyramid,  a cornercorner with one Fe(4)O5 trigonal bipyramid,  an edgeedge with one Fe(3)O5 trigonal bipyramid,  an edgeedge with one Fe(4)O5 trigonal bipyramid, and faces with two equivalent Fe(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 40-48°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one F(1) atom to form FeO5F octahedra that share corners with three equivalent Fe(3)O5 trigonal bipyramids, corners with three equivalent Fe(4)O5 trigonal bipyramids, edges with two equivalent Fe(2)O5F octahedra, and faces with two equivalent Mg(1)O5F octahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one F(1) atom to form FeO5F octahedra that share corners with four equivalent Mg(1)O5F octahedra, corners with three equivalent Fe(3)O5 trigonal bipyramids, corners with three equivalent Fe(4)O5 trigonal bipyramids, and edges with two equivalent Fe(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 40-48°. In the third Fe site, Fe(3) is bonded to one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O5F octahedra, corners with three equivalent Fe(1)O5F octahedra, corners with three equivalent Fe(2)O5F octahedra,  an edgeedge with one Mg(1)O5F octahedra, and edges with two equivalent Fe(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 36-71°. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O5F octahedra, corners with three equivalent Fe(1)O5F octahedra, corners with three equivalent Fe(2)O5F octahedra,  an edgeedge with one Mg(1)O5F octahedra, and edges with two equivalent Fe(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 40-68°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) 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. In the third O site, O(3) is bonded to one Mg(1), one Fe(1), one Fe(3), and one Fe(4) atom to form a mixture of distorted corner and edge-sharing OMgFe3 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Fe(1), one Fe(3), and one Fe(4) atom to form a mixture of distorted corner and edge-sharing OMgFe3 trigonal pyramids. 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(4) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Fe(3) atom. F(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(1), and one Fe(2) atom.
MgFe4O7F crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one F(1) atom to form MgO5F octahedra that share corners with four equivalent Fe(2)O5F octahedra,  a cornercorner with one Fe(3)O5 trigonal bipyramid,  a cornercorner with one Fe(4)O5 trigonal bipyramid,  an edgeedge with one Fe(3)O5 trigonal bipyramid,  an edgeedge with one Fe(4)O5 trigonal bipyramid, and faces with two equivalent Fe(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 40-48°. The Mg(1)-O(1) bond length is 2.07 Å. The Mg(1)-O(2) bond length is 2.09 Å. The Mg(1)-O(3) bond length is 1.97 Å. The Mg(1)-O(5) bond length is 2.00 Å. The Mg(1)-O(7) bond length is 2.06 Å. The Mg(1)-F(1) bond length is 2.18 Å. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one F(1) atom to form FeO5F octahedra that share corners with three equivalent Fe(3)O5 trigonal bipyramids, corners with three equivalent Fe(4)O5 trigonal bipyramids, edges with two equivalent Fe(2)O5F octahedra, and faces with two equivalent Mg(1)O5F octahedra. The Fe(1)-O(1) bond length is 1.89 Å. The Fe(1)-O(2) bond length is 2.04 Å. The Fe(1)-O(3) bond length is 2.06 Å. The Fe(1)-O(5) bond length is 2.12 Å. The Fe(1)-O(7) bond length is 2.05 Å. The Fe(1)-F(1) bond length is 2.02 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one F(1) atom to form FeO5F octahedra that share corners with four equivalent Mg(1)O5F octahedra, corners with three equivalent Fe(3)O5 trigonal bipyramids, corners with three equivalent Fe(4)O5 trigonal bipyramids, and edges with two equivalent Fe(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 40-48°. The Fe(2)-O(1) bond length is 1.91 Å. The Fe(2)-O(2) bond length is 2.04 Å. The Fe(2)-O(4) bond length is 2.07 Å. The Fe(2)-O(6) bond length is 2.07 Å. The Fe(2)-O(7) bond length is 2.15 Å. The Fe(2)-F(1) bond length is 2.14 Å. In the third Fe site, Fe(3) is bonded to one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O5F octahedra, corners with three equivalent Fe(1)O5F octahedra, corners with three equivalent Fe(2)O5F octahedra,  an edgeedge with one Mg(1)O5F octahedra, and edges with two equivalent Fe(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 36-71°. The Fe(3)-O(3) bond length is 2.01 Å. The Fe(3)-O(4) bond length is 1.95 Å. The Fe(3)-O(5) bond length is 2.12 Å. The Fe(3)-O(6) bond length is 2.01 Å. The Fe(3)-O(7) bond length is 1.99 Å. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O5F octahedra, corners with three equivalent Fe(1)O5F octahedra, corners with three equivalent Fe(2)O5F octahedra,  an edgeedge with one Mg(1)O5F octahedra, and edges with two equivalent Fe(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 40-68°. The Fe(4)-O(2) bond length is 2.04 Å. The Fe(4)-O(3) bond length is 2.01 Å. The Fe(4)-O(4) bond length is 1.92 Å. The Fe(4)-O(5) bond length is 1.93 Å. The Fe(4)-O(6) bond length is 1.88 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) 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. In the third O site, O(3) is bonded to one Mg(1), one Fe(1), one Fe(3), and one Fe(4) atom to form a mixture of distorted corner and edge-sharing OMgFe3 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Fe(1), one Fe(3), and one Fe(4) atom to form a mixture of distorted corner and edge-sharing OMgFe3 trigonal pyramids. 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(4) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Fe(3) atom. F(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(1), and one Fe(2) atom.