MgV3OF11 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one F(1), one F(11), one F(2), one F(3), and one F(5) atom to form MgF5 trigonal bipyramids that share  a cornercorner with one V(3)F6 octahedra,  a cornercorner with one V(1)OF5 octahedra, corners with two equivalent V(2)OF5 octahedra, and  an edgeedge with one V(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 37-58°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one F(1), one F(10), one F(11), one F(3), and one F(8) atom to form VOF5 octahedra that share corners with two equivalent V(3)F6 octahedra, corners with two equivalent V(2)OF5 octahedra,  a cornercorner with one Mg(1)F5 trigonal bipyramid, and  an edgeedge with one Mg(1)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 32-39°. In the second V site, V(2) is bonded to one O(1), one F(2), one F(3), one F(4), one F(6), and one F(7) atom to form VOF5 octahedra that share corners with two equivalent V(1)OF5 octahedra, corners with two equivalent Mg(1)F5 trigonal bipyramids, and  an edgeedge with one V(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 35-39°. In the third V site, V(3) is bonded to one F(10), one F(4), one F(5), one F(7), one F(8), and one F(9) atom to form VF6 octahedra that share corners with two equivalent V(1)OF5 octahedra,  a cornercorner with one Mg(1)F5 trigonal bipyramid, and  an edgeedge with one V(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 32-33°. O(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Mg(1) and one V(1) atom. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to one Mg(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 water-like geometry to one V(2) and one V(3) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(3) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one V(2) atom. In the seventh F site, F(7) is bonded in a water-like geometry to one V(2) and one V(3) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the ninth F site, F(9) is bonded in a single-bond geometry to one V(3) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the eleventh F site, F(11) is bonded in a water-like geometry to one Mg(1) and one V(1) atom.
MgV3OF11 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one F(1), one F(11), one F(2), one F(3), and one F(5) atom to form MgF5 trigonal bipyramids that share  a cornercorner with one V(3)F6 octahedra,  a cornercorner with one V(1)OF5 octahedra, corners with two equivalent V(2)OF5 octahedra, and  an edgeedge with one V(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 37-58°. The Mg(1)-F(1) bond length is 1.94 Å. The Mg(1)-F(11) bond length is 2.01 Å. The Mg(1)-F(2) bond length is 1.97 Å. The Mg(1)-F(3) bond length is 2.11 Å. The Mg(1)-F(5) bond length is 1.99 Å. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one F(1), one F(10), one F(11), one F(3), and one F(8) atom to form VOF5 octahedra that share corners with two equivalent V(3)F6 octahedra, corners with two equivalent V(2)OF5 octahedra,  a cornercorner with one Mg(1)F5 trigonal bipyramid, and  an edgeedge with one Mg(1)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 32-39°. The V(1)-O(1) bond length is 1.70 Å. The V(1)-F(1) bond length is 1.96 Å. The V(1)-F(10) bond length is 2.05 Å. The V(1)-F(11) bond length is 1.91 Å. The V(1)-F(3) bond length is 2.08 Å. The V(1)-F(8) bond length is 1.99 Å. In the second V site, V(2) is bonded to one O(1), one F(2), one F(3), one F(4), one F(6), and one F(7) atom to form VOF5 octahedra that share corners with two equivalent V(1)OF5 octahedra, corners with two equivalent Mg(1)F5 trigonal bipyramids, and  an edgeedge with one V(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 35-39°. The V(2)-O(1) bond length is 1.99 Å. The V(2)-F(2) bond length is 1.94 Å. The V(2)-F(3) bond length is 2.10 Å. The V(2)-F(4) bond length is 2.03 Å. The V(2)-F(6) bond length is 1.81 Å. The V(2)-F(7) bond length is 2.07 Å. In the third V site, V(3) is bonded to one F(10), one F(4), one F(5), one F(7), one F(8), and one F(9) atom to form VF6 octahedra that share corners with two equivalent V(1)OF5 octahedra,  a cornercorner with one Mg(1)F5 trigonal bipyramid, and  an edgeedge with one V(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 32-33°. The V(3)-F(10) bond length is 1.95 Å. The V(3)-F(4) bond length is 1.96 Å. The V(3)-F(5) bond length is 1.90 Å. The V(3)-F(7) bond length is 1.91 Å. The V(3)-F(8) bond length is 1.93 Å. The V(3)-F(9) bond length is 1.74 Å. O(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Mg(1) and one V(1) atom. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to one Mg(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 water-like geometry to one V(2) and one V(3) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(3) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one V(2) atom. In the seventh F site, F(7) is bonded in a water-like geometry to one V(2) and one V(3) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the ninth F site, F(9) is bonded in a single-bond geometry to one V(3) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the eleventh F site, F(11) is bonded in a water-like geometry to one Mg(1) and one V(1) atom.