MgV2(OF3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one F(1), one F(2), one F(3), one F(5), and one F(6) atom to form MgF5 trigonal bipyramids that share  a cornercorner with one V(1)O2F3 trigonal bipyramid, corners with two equivalent V(2)O2F3 trigonal bipyramids, and  an edgeedge with one V(1)O2F3 trigonal bipyramid. 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), and one F(5) atom to form distorted VO2F3 trigonal bipyramids that share  a cornercorner with one Mg(1)F5 trigonal bipyramid, corners with two equivalent V(2)O2F3 trigonal bipyramids, and  an edgeedge with one Mg(1)F5 trigonal bipyramid. In the second V site, V(2) is bonded to one O(1), one O(2), one F(3), one F(4), and one F(6) atom to form VO2F3 trigonal bipyramids that share corners with two equivalent Mg(1)F5 trigonal bipyramids and corners with two equivalent V(1)O2F3 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to 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(2) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(1) atom. In the second F site, F(2) is bonded in a water-like geometry to one Mg(1) and one V(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(2) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one V(2) atom. In the fifth F site, F(5) is bonded in a water-like geometry to one Mg(1) and one V(1) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(2) atom.
MgV2(OF3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one F(1), one F(2), one F(3), one F(5), and one F(6) atom to form MgF5 trigonal bipyramids that share  a cornercorner with one V(1)O2F3 trigonal bipyramid, corners with two equivalent V(2)O2F3 trigonal bipyramids, and  an edgeedge with one V(1)O2F3 trigonal bipyramid. The Mg(1)-F(1) bond length is 1.94 Å. The Mg(1)-F(2) bond length is 2.04 Å. The Mg(1)-F(3) bond length is 1.95 Å. The Mg(1)-F(5) bond length is 1.97 Å. The Mg(1)-F(6) bond length is 1.93 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), and one F(5) atom to form distorted VO2F3 trigonal bipyramids that share  a cornercorner with one Mg(1)F5 trigonal bipyramid, corners with two equivalent V(2)O2F3 trigonal bipyramids, and  an edgeedge with one Mg(1)F5 trigonal bipyramid. The V(1)-O(1) bond length is 1.67 Å. The V(1)-O(2) bond length is 1.94 Å. The V(1)-F(1) bond length is 1.92 Å. The V(1)-F(2) bond length is 1.91 Å. The V(1)-F(5) bond length is 1.93 Å. In the second V site, V(2) is bonded to one O(1), one O(2), one F(3), one F(4), and one F(6) atom to form VO2F3 trigonal bipyramids that share corners with two equivalent Mg(1)F5 trigonal bipyramids and corners with two equivalent V(1)O2F3 trigonal bipyramids. The V(2)-O(1) bond length is 2.01 Å. The V(2)-O(2) bond length is 1.71 Å. The V(2)-F(3) bond length is 1.92 Å. The V(2)-F(4) bond length is 1.79 Å. The V(2)-F(6) bond length is 1.94 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to 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(2) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(1) atom. In the second F site, F(2) is bonded in a water-like geometry to one Mg(1) and one V(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(2) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one V(2) atom. In the fifth F site, F(5) is bonded in a water-like geometry to one Mg(1) and one V(1) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(2) atom.