MgV2(OF2)2 is beta Vanadium nitride-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom to form distorted MgO2F4 octahedra that share corners with three equivalent V(2)O2F4 octahedra, edges with three equivalent V(1)O2F4 octahedra, and  a faceface with one V(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom to form VO2F4 octahedra that share corners with six equivalent V(2)O2F4 octahedra and edges with three equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 29-48°. In the second V site, V(2) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom to form VO2F4 octahedra that share corners with three equivalent Mg(1)O2F4 octahedra, corners with six equivalent V(1)O2F4 octahedra, and  a faceface with one Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 29-59°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 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 trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom.
MgV2(OF2)2 is beta Vanadium nitride-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom to form distorted MgO2F4 octahedra that share corners with three equivalent V(2)O2F4 octahedra, edges with three equivalent V(1)O2F4 octahedra, and  a faceface with one V(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. The Mg(1)-O(1) bond length is 2.06 Å. The Mg(1)-O(2) bond length is 1.99 Å. The Mg(1)-F(1) bond length is 2.09 Å. The Mg(1)-F(2) bond length is 2.19 Å. The Mg(1)-F(3) bond length is 2.01 Å. The Mg(1)-F(4) bond length is 2.04 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom to form VO2F4 octahedra that share corners with six equivalent V(2)O2F4 octahedra and edges with three equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 29-48°. The V(1)-O(1) bond length is 1.88 Å. The V(1)-O(2) bond length is 1.96 Å. The V(1)-F(1) bond length is 2.09 Å. The V(1)-F(2) bond length is 2.00 Å. The V(1)-F(3) bond length is 2.16 Å. The V(1)-F(4) bond length is 2.12 Å. In the second V site, V(2) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom to form VO2F4 octahedra that share corners with three equivalent Mg(1)O2F4 octahedra, corners with six equivalent V(1)O2F4 octahedra, and  a faceface with one Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 29-59°. The V(2)-O(1) bond length is 1.93 Å. The V(2)-O(2) bond length is 1.92 Å. The V(2)-F(1) bond length is 2.08 Å. The V(2)-F(2) bond length is 2.13 Å. The V(2)-F(3) bond length is 2.10 Å. The V(2)-F(4) bond length is 2.09 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 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 trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom.