LiVOF3 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one O(1), one F(2), two equivalent F(1), and two equivalent F(3) atoms to form LiOF5 octahedra that share corners with four equivalent Li(1)OF5 octahedra, corners with four equivalent V(1)O2F4 octahedra, and edges with two equivalent V(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. V(1) is bonded to two equivalent O(1), one F(1), one F(3), and two equivalent F(2) atoms to form distorted VO2F4 octahedra that share corners with four equivalent Li(1)OF5 octahedra, corners with four equivalent V(1)O2F4 octahedra, and edges with two equivalent Li(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-58°. O(1) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent V(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to two equivalent Li(1) and one V(1) atom.
LiVOF3 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one O(1), one F(2), two equivalent F(1), and two equivalent F(3) atoms to form LiOF5 octahedra that share corners with four equivalent Li(1)OF5 octahedra, corners with four equivalent V(1)O2F4 octahedra, and edges with two equivalent V(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. The Li(1)-O(1) bond length is 2.20 Å. The Li(1)-F(2) bond length is 2.21 Å. There is one shorter (2.08 Å) and one longer (2.11 Å) Li(1)-F(1) bond length. There is one shorter (2.01 Å) and one longer (2.06 Å) Li(1)-F(3) bond length. V(1) is bonded to two equivalent O(1), one F(1), one F(3), and two equivalent F(2) atoms to form distorted VO2F4 octahedra that share corners with four equivalent Li(1)OF5 octahedra, corners with four equivalent V(1)O2F4 octahedra, and edges with two equivalent Li(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-58°. There is one shorter (1.68 Å) and one longer (2.19 Å) V(1)-O(1) bond length. The V(1)-F(1) bond length is 1.92 Å. The V(1)-F(3) bond length is 1.93 Å. There is one shorter (1.99 Å) and one longer (2.00 Å) V(1)-F(2) bond length. O(1) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent V(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to two equivalent Li(1) and one V(1) atom.