MgV4O7F5 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(4), and one F(5) atom to form distorted MgO3F3 octahedra that share  a cornercorner with one V(4)O3F3 octahedra. The corner-sharing octahedral tilt angles are 66°. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(7), one F(2), and one F(3) atom. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(7), and one F(4) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(3), one O(5), one O(6), one F(1), one F(4), and one F(5) atom. In the fourth V site, V(4) is bonded to one O(2), one O(5), one O(6), one F(2), one F(3), and one F(5) atom to form VO3F3 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles are 66°. 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 V(1), and one V(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one V(2), and one V(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a linear geometry to one V(3) and one V(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one V(2) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Mg(1) and one V(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one V(3) atom. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one V(3), and one V(4) atom.
MgV4O7F5 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(4), and one F(5) atom to form distorted MgO3F3 octahedra that share  a cornercorner with one V(4)O3F3 octahedra. The corner-sharing octahedral tilt angles are 66°. The Mg(1)-O(1) bond length is 2.11 Å. The Mg(1)-O(3) bond length is 2.05 Å. The Mg(1)-O(7) bond length is 2.04 Å. The Mg(1)-F(1) bond length is 2.06 Å. The Mg(1)-F(4) bond length is 2.04 Å. The Mg(1)-F(5) bond length is 2.08 Å. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(7), one F(2), and one F(3) atom. The V(1)-O(1) bond length is 1.79 Å. The V(1)-O(2) bond length is 1.69 Å. The V(1)-O(4) bond length is 1.71 Å. The V(1)-O(7) bond length is 2.45 Å. The V(1)-F(2) bond length is 2.08 Å. The V(1)-F(3) bond length is 2.00 Å. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(7), and one F(4) atom. The V(2)-O(1) bond length is 1.93 Å. The V(2)-O(3) bond length is 1.95 Å. The V(2)-O(4) bond length is 1.97 Å. The V(2)-O(7) bond length is 1.68 Å. The V(2)-F(4) bond length is 2.02 Å. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(3), one O(5), one O(6), one F(1), one F(4), and one F(5) atom. The V(3)-O(3) bond length is 1.85 Å. The V(3)-O(5) bond length is 1.95 Å. The V(3)-O(6) bond length is 1.70 Å. The V(3)-F(1) bond length is 1.95 Å. The V(3)-F(4) bond length is 2.38 Å. The V(3)-F(5) bond length is 2.10 Å. In the fourth V site, V(4) is bonded to one O(2), one O(5), one O(6), one F(2), one F(3), and one F(5) atom to form VO3F3 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles are 66°. The V(4)-O(2) bond length is 2.01 Å. The V(4)-O(5) bond length is 1.72 Å. The V(4)-O(6) bond length is 1.95 Å. The V(4)-F(2) bond length is 1.92 Å. The V(4)-F(3) bond length is 2.03 Å. The V(4)-F(5) bond length is 2.10 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 V(1), and one V(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one V(2), and one V(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a linear geometry to one V(3) and one V(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one V(2) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Mg(1) and one V(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one V(3) atom. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one V(3), and one V(4) atom.