LiVF4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent F(1) and two equivalent F(2) atoms. V(1) is bonded to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 44-46°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to two equivalent V(1) atoms. In the fourth F site, F(4) is bonded in a 2-coordinate geometry to two equivalent V(1) atoms.
LiVF4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent F(1) and two equivalent F(2) atoms. There is one shorter (1.95 Å) and one longer (2.06 Å) Li(1)-F(1) bond length. There is one shorter (2.00 Å) and one longer (2.17 Å) Li(1)-F(2) bond length. V(1) is bonded to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 44-46°. The V(1)-F(1) bond length is 1.91 Å. The V(1)-F(2) bond length is 1.94 Å. There is one shorter (1.99 Å) and one longer (2.01 Å) V(1)-F(3) bond length. There is one shorter (2.00 Å) and one longer (2.03 Å) V(1)-F(4) bond length. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to two equivalent V(1) atoms. In the fourth F site, F(4) is bonded in a 2-coordinate geometry to two equivalent V(1) atoms.