MgVF4 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to one F(2), one F(4), two equivalent F(1), and two equivalent F(3) atoms to form distorted MgF6 octahedra that share corners with four equivalent V(1)F6 octahedra and edges with two equivalent Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 51-64°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms to form VF6 octahedra that share corners with eight equivalent Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 51-64°. In the second V site, V(2) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Mg(1), one V(1), and one V(2) atom to form a mixture of distorted corner and edge-sharing FMg2V2 tetrahedra. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Mg(1) and one V(1) atom. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg(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.
MgVF4 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to one F(2), one F(4), two equivalent F(1), and two equivalent F(3) atoms to form distorted MgF6 octahedra that share corners with four equivalent V(1)F6 octahedra and edges with two equivalent Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 51-64°. The Mg(1)-F(2) bond length is 1.92 Å. The Mg(1)-F(4) bond length is 1.99 Å. There is one shorter (2.13 Å) and one longer (2.18 Å) Mg(1)-F(1) bond length. There is one shorter (1.98 Å) and one longer (2.07 Å) Mg(1)-F(3) bond length. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms to form VF6 octahedra that share corners with eight equivalent Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 51-64°. Both V(1)-F(1) bond lengths are 2.29 Å. Both V(1)-F(2) bond lengths are 2.06 Å. Both V(1)-F(4) bond lengths are 2.21 Å. In the second V site, V(2) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms. Both V(2)-F(1) bond lengths are 2.29 Å. Both V(2)-F(3) bond lengths are 2.03 Å. Both V(2)-F(4) bond lengths are 2.18 Å. There are four inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Mg(1), one V(1), and one V(2) atom to form a mixture of distorted corner and edge-sharing FMg2V2 tetrahedra. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Mg(1) and one V(1) atom. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg(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.