MgV4O5F7 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(4), one O(5), one F(1), one F(3), and one F(7) atom to form distorted MgO3F3 octahedra that share  a cornercorner with one V(4)O2F4 octahedra, corners with two equivalent V(2)O3F3 octahedra,  an edgeedge with one V(1)O3F3 octahedra, edges with two equivalent V(3)O2F4 octahedra, and  a faceface with one V(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(5), one F(2), one F(3), and one F(4) atom to form distorted VO3F3 octahedra that share corners with three equivalent V(4)O2F4 octahedra, corners with three equivalent V(2)O3F3 octahedra, and  an edgeedge with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 22-42°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(5), one F(1), one F(3), and one F(4) atom to form distorted VO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with three equivalent V(3)O2F4 octahedra, corners with three equivalent V(1)O3F3 octahedra, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 22-62°. In the third V site, V(3) is bonded to one O(3), one O(4), one F(1), one F(5), one F(6), and one F(7) atom to form VO2F4 octahedra that share corners with three equivalent V(4)O2F4 octahedra, corners with three equivalent V(2)O3F3 octahedra, and edges with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 28-44°. In the fourth V site, V(4) is bonded to one O(1), one O(2), one F(2), one F(5), one F(6), and one F(7) atom to form VO2F4 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with three equivalent V(3)O2F4 octahedra, and corners with three equivalent V(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 22-54°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) 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 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 distorted trigonal planar geometry to one Mg(1), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mg(1), one V(2), 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 T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(3), and one V(4) atom.
MgV4O5F7 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(4), one O(5), one F(1), one F(3), and one F(7) atom to form distorted MgO3F3 octahedra that share  a cornercorner with one V(4)O2F4 octahedra, corners with two equivalent V(2)O3F3 octahedra,  an edgeedge with one V(1)O3F3 octahedra, edges with two equivalent V(3)O2F4 octahedra, and  a faceface with one V(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. The Mg(1)-O(3) bond length is 2.12 Å. The Mg(1)-O(4) bond length is 2.03 Å. The Mg(1)-O(5) bond length is 2.00 Å. The Mg(1)-F(1) bond length is 2.10 Å. The Mg(1)-F(3) bond length is 2.07 Å. The Mg(1)-F(7) bond length is 2.09 Å. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(5), one F(2), one F(3), and one F(4) atom to form distorted VO3F3 octahedra that share corners with three equivalent V(4)O2F4 octahedra, corners with three equivalent V(2)O3F3 octahedra, and  an edgeedge with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 22-42°. The V(1)-O(1) bond length is 1.69 Å. The V(1)-O(2) bond length is 2.01 Å. The V(1)-O(5) bond length is 1.94 Å. The V(1)-F(2) bond length is 1.98 Å. The V(1)-F(3) bond length is 2.14 Å. The V(1)-F(4) bond length is 1.99 Å. In the second V site, V(2) is bonded to one O(3), one O(4), one O(5), one F(1), one F(3), and one F(4) atom to form distorted VO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with three equivalent V(3)O2F4 octahedra, corners with three equivalent V(1)O3F3 octahedra, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 22-62°. The V(2)-O(3) bond length is 1.82 Å. The V(2)-O(4) bond length is 1.81 Å. The V(2)-O(5) bond length is 1.86 Å. The V(2)-F(1) bond length is 2.18 Å. The V(2)-F(3) bond length is 2.17 Å. The V(2)-F(4) bond length is 2.03 Å. In the third V site, V(3) is bonded to one O(3), one O(4), one F(1), one F(5), one F(6), and one F(7) atom to form VO2F4 octahedra that share corners with three equivalent V(4)O2F4 octahedra, corners with three equivalent V(2)O3F3 octahedra, and edges with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 28-44°. The V(3)-O(3) bond length is 1.92 Å. The V(3)-O(4) bond length is 1.98 Å. The V(3)-F(1) bond length is 2.01 Å. The V(3)-F(5) bond length is 1.99 Å. The V(3)-F(6) bond length is 2.00 Å. The V(3)-F(7) bond length is 2.12 Å. In the fourth V site, V(4) is bonded to one O(1), one O(2), one F(2), one F(5), one F(6), and one F(7) atom to form VO2F4 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with three equivalent V(3)O2F4 octahedra, and corners with three equivalent V(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 22-54°. The V(4)-O(1) bond length is 1.97 Å. The V(4)-O(2) bond length is 1.68 Å. The V(4)-F(2) bond length is 1.95 Å. The V(4)-F(5) bond length is 2.03 Å. The V(4)-F(6) bond length is 1.98 Å. The V(4)-F(7) bond length is 2.06 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) 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 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 distorted trigonal planar geometry to one Mg(1), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mg(1), one V(2), 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 T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(3), and one V(4) atom.