LiVF4 crystallizes in the orthorhombic P2_12_12_1 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one F(1), one F(2), one F(3), and one F(4) atom. V(1) is bonded to one F(1), one F(4), two equivalent F(2), and two equivalent F(3) atoms to form distorted edge-sharing VF6 octahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent V(1) atoms. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent V(1) atoms. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one Li(1) and one V(1) atom.
LiVF4 crystallizes in the orthorhombic P2_12_12_1 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one F(1), one F(2), one F(3), and one F(4) atom. The Li(1)-F(1) bond length is 1.93 Å. The Li(1)-F(2) bond length is 2.02 Å. The Li(1)-F(3) bond length is 1.98 Å. The Li(1)-F(4) bond length is 1.92 Å. V(1) is bonded to one F(1), one F(4), two equivalent F(2), and two equivalent F(3) atoms to form distorted edge-sharing VF6 octahedra. The V(1)-F(1) bond length is 1.90 Å. The V(1)-F(4) bond length is 1.90 Å. There is one shorter (1.99 Å) and one longer (2.12 Å) V(1)-F(2) bond length. There is one shorter (1.99 Å) and one longer (2.13 Å) V(1)-F(3) bond length. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent V(1) atoms. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent V(1) atoms. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one Li(1) and one V(1) atom.