MgMn4O7F crystallizes in the triclinic P1 space group. Mg(1) 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 distorted MgO5F octahedra that share edges with two equivalent Mn(1)O5F octahedra, edges with two equivalent Mn(4)O5F octahedra, and edges with two equivalent Mn(3)O6 octahedra. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one F(1) atom to form distorted MnO5F octahedra that share corners with two equivalent Mn(4)O5F octahedra, edges with two equivalent Mg(1)O5F octahedra, edges with two equivalent Mn(4)O5F octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-19°. In the second Mn site, Mn(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), one O(5), and one O(7) atom. In the third Mn site, Mn(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share edges with two equivalent Mg(1)O5F octahedra, edges with two equivalent Mn(1)O5F octahedra, and edges with two equivalent Mn(4)O5F octahedra. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one F(1) atom to form MnO5F octahedra that share corners with two equivalent Mn(1)O5F octahedra, edges with two equivalent Mg(1)O5F octahedra, edges with two equivalent Mn(1)O5F octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-19°. 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 Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one Mn(3), and one Mn(4) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mn(1), one Mn(3), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Mn(3), and one Mn(4) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(3), and one Mn(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(2), and one Mn(3) atom. F(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Mn(1), and one Mn(4) atom.
MgMn4O7F crystallizes in the triclinic P1 space group. Mg(1) 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 distorted MgO5F octahedra that share edges with two equivalent Mn(1)O5F octahedra, edges with two equivalent Mn(4)O5F octahedra, and edges with two equivalent Mn(3)O6 octahedra. The Mg(1)-O(1) bond length is 1.99 Å. The Mg(1)-O(2) bond length is 2.05 Å. The Mg(1)-O(4) bond length is 2.15 Å. The Mg(1)-O(6) bond length is 2.15 Å. The Mg(1)-O(7) bond length is 2.03 Å. The Mg(1)-F(1) bond length is 2.20 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one F(1) atom to form distorted MnO5F octahedra that share corners with two equivalent Mn(4)O5F octahedra, edges with two equivalent Mg(1)O5F octahedra, edges with two equivalent Mn(4)O5F octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-19°. The Mn(1)-O(2) bond length is 2.29 Å. The Mn(1)-O(3) bond length is 2.01 Å. The Mn(1)-O(4) bond length is 1.91 Å. The Mn(1)-O(5) bond length is 2.32 Å. The Mn(1)-O(6) bond length is 1.90 Å. The Mn(1)-F(1) bond length is 2.09 Å. In the second Mn site, Mn(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), one O(5), and one O(7) atom. The Mn(2)-O(1) bond length is 1.89 Å. The Mn(2)-O(2) bond length is 2.03 Å. The Mn(2)-O(3) bond length is 2.74 Å. The Mn(2)-O(5) bond length is 2.09 Å. The Mn(2)-O(7) bond length is 1.91 Å. In the third Mn site, Mn(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share edges with two equivalent Mg(1)O5F octahedra, edges with two equivalent Mn(1)O5F octahedra, and edges with two equivalent Mn(4)O5F octahedra. The Mn(3)-O(1) bond length is 1.90 Å. The Mn(3)-O(3) bond length is 1.97 Å. The Mn(3)-O(4) bond length is 1.97 Å. The Mn(3)-O(5) bond length is 2.02 Å. The Mn(3)-O(6) bond length is 1.97 Å. The Mn(3)-O(7) bond length is 1.89 Å. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one F(1) atom to form MnO5F octahedra that share corners with two equivalent Mn(1)O5F octahedra, edges with two equivalent Mg(1)O5F octahedra, edges with two equivalent Mn(1)O5F octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-19°. The Mn(4)-O(2) bond length is 1.99 Å. The Mn(4)-O(3) bond length is 1.94 Å. The Mn(4)-O(4) bond length is 2.03 Å. The Mn(4)-O(5) bond length is 2.03 Å. The Mn(4)-O(6) bond length is 2.08 Å. The Mn(4)-F(1) bond length is 2.02 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 Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one Mn(3), and one Mn(4) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mn(1), one Mn(3), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Mn(3), and one Mn(4) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(3), and one Mn(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(2), and one Mn(3) atom. F(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Mn(1), and one Mn(4) atom.