LiVOF3 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 two equivalent O(1), one F(1), one F(2), and two equivalent F(3) atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 41-44°. O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent V(1) atoms. There are three 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.
LiVOF3 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 (1.94 Å) and one longer (2.00 Å) Li(1)-F(1) bond length. There is one shorter (2.01 Å) and one longer (2.18 Å) Li(1)-F(2) bond length. V(1) is bonded to two equivalent O(1), one F(1), one F(2), and two equivalent F(3) atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 41-44°. There is one shorter (1.72 Å) and one longer (1.98 Å) V(1)-O(1) bond length. The V(1)-F(1) bond length is 1.93 Å. The V(1)-F(2) bond length is 1.96 Å. There is one shorter (1.98 Å) and one longer (2.00 Å) V(1)-F(3) bond length. O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent V(1) atoms. There are three 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.