LiVF4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms. V(1) is bonded to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 44-49°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to two equivalent Li(1) and one V(1) atom.
LiVF4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms. The Li(1)-F(1) bond length is 2.42 Å. The Li(1)-F(2) bond length is 2.02 Å. There is one shorter (1.94 Å) and one longer (2.14 Å) Li(1)-F(3) bond length. There is one shorter (1.90 Å) and one longer (1.94 Å) Li(1)-F(4) bond length. V(1) is bonded to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 44-49°. The V(1)-F(3) bond length is 1.87 Å. The V(1)-F(4) bond length is 1.89 Å. There is one shorter (1.96 Å) and one longer (1.99 Å) V(1)-F(1) bond length. There is one shorter (1.99 Å) and one longer (2.00 Å) V(1)-F(2) bond length. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to two equivalent Li(1) and one V(1) atom.