LiVOF3 crystallizes in the tetragonal P4_1 space group. Li(1) is bonded to two equivalent O(1), one F(2), and two equivalent F(1) atoms to form distorted edge-sharing LiO2F3 trigonal bipyramids. V(1) is bonded in a 6-coordinate geometry to one O(1), one F(2), two equivalent F(1), and two equivalent F(3) atoms. O(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one V(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Li(1) and one V(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms.
LiVOF3 crystallizes in the tetragonal P4_1 space group. Li(1) is bonded to two equivalent O(1), one F(2), and two equivalent F(1) atoms to form distorted edge-sharing LiO2F3 trigonal bipyramids. There is one shorter (1.94 Å) and one longer (1.99 Å) Li(1)-O(1) bond length. The Li(1)-F(2) bond length is 1.90 Å. There is one shorter (2.00 Å) and one longer (2.35 Å) Li(1)-F(1) bond length. V(1) is bonded in a 6-coordinate geometry to one O(1), one F(2), two equivalent F(1), and two equivalent F(3) atoms. The V(1)-O(1) bond length is 1.64 Å. The V(1)-F(2) bond length is 1.88 Å. There is one shorter (1.99 Å) and one longer (2.47 Å) V(1)-F(1) bond length. 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 T-shaped geometry to two equivalent Li(1) and one V(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Li(1) and one V(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms.