MgVOF2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form MgO2F4 octahedra that share corners with two equivalent Mg(1)O2F4 octahedra, corners with two equivalent V(1)O2F4 octahedra, edges with two equivalent Mg(1)O2F4 octahedra, and edges with five equivalent V(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. V(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form VO2F4 octahedra that share corners with two equivalent Mg(1)O2F4 octahedra, corners with two equivalent V(1)O2F4 octahedra, edges with two equivalent V(1)O2F4 octahedra, and edges with five equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 1-26°. O(1) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent V(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent V(1) atoms.
MgVOF2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form MgO2F4 octahedra that share corners with two equivalent Mg(1)O2F4 octahedra, corners with two equivalent V(1)O2F4 octahedra, edges with two equivalent Mg(1)O2F4 octahedra, and edges with five equivalent V(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. Both Mg(1)-O(1) bond lengths are 1.98 Å. Both Mg(1)-F(1) bond lengths are 2.07 Å. There is one shorter (2.24 Å) and one longer (2.28 Å) Mg(1)-F(2) bond length. V(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form VO2F4 octahedra that share corners with two equivalent Mg(1)O2F4 octahedra, corners with two equivalent V(1)O2F4 octahedra, edges with two equivalent V(1)O2F4 octahedra, and edges with five equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 1-26°. Both V(1)-O(1) bond lengths are 2.12 Å. Both V(1)-F(1) bond lengths are 2.22 Å. There is one shorter (2.21 Å) and one longer (2.22 Å) V(1)-F(2) bond length. O(1) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent V(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent V(1) atoms.