Li2VF6 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. In the second Li site, Li(2) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form LiF6 octahedra that share edges with three equivalent V(1)F6 octahedra. V(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form VF6 octahedra that share edges with three equivalent Li(2)F6 octahedra. There are six inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(2), and one V(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. In the fourth F site, F(4) is bonded in a T-shaped geometry to one Li(1), one Li(2), and one V(1) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one V(1) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom.
Li2VF6 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. The Li(1)-F(1) bond length is 2.04 Å. The Li(1)-F(2) bond length is 2.01 Å. The Li(1)-F(3) bond length is 2.10 Å. The Li(1)-F(4) bond length is 2.36 Å. The Li(1)-F(5) bond length is 2.41 Å. The Li(1)-F(6) bond length is 2.29 Å. In the second Li site, Li(2) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form LiF6 octahedra that share edges with three equivalent V(1)F6 octahedra. The Li(2)-F(1) bond length is 1.99 Å. The Li(2)-F(2) bond length is 2.03 Å. The Li(2)-F(3) bond length is 2.05 Å. The Li(2)-F(4) bond length is 2.04 Å. The Li(2)-F(5) bond length is 1.99 Å. The Li(2)-F(6) bond length is 2.13 Å. V(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form VF6 octahedra that share edges with three equivalent Li(2)F6 octahedra. 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(3) bond length is 1.88 Å. The V(1)-F(4) bond length is 1.89 Å. The V(1)-F(5) bond length is 1.87 Å. The V(1)-F(6) bond length is 1.85 Å. There are six inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(2), and one V(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. In the fourth F site, F(4) is bonded in a T-shaped geometry to one Li(1), one Li(2), and one V(1) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one V(1) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom.