LiV2O2F3 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one F(1), one F(2), and one F(3) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), two equivalent O(1), one F(1), one F(2), and one F(3) atom to form a mixture of edge and corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. In the second V site, V(2) is bonded to one O(1), two equivalent O(2), one F(1), one F(2), and one F(3) atom to form a mixture of edge and corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(1) and two equivalent V(2) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one V(2) atom. In the second F site, F(2) is bonded in a T-shaped geometry to one Li(1), one V(1), and one V(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom.
LiV2O2F3 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one F(1), one F(2), and one F(3) atom. The Li(1)-O(1) bond length is 2.06 Å. The Li(1)-F(1) bond length is 1.92 Å. The Li(1)-F(2) bond length is 1.87 Å. The Li(1)-F(3) bond length is 1.84 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), two equivalent O(1), one F(1), one F(2), and one F(3) atom to form a mixture of edge and corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. The V(1)-O(2) bond length is 1.97 Å. There is one shorter (1.96 Å) and one longer (2.04 Å) V(1)-O(1) bond length. The V(1)-F(1) bond length is 2.12 Å. The V(1)-F(2) bond length is 2.06 Å. The V(1)-F(3) bond length is 2.09 Å. In the second V site, V(2) is bonded to one O(1), two equivalent O(2), one F(1), one F(2), and one F(3) atom to form a mixture of edge and corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. The V(2)-O(1) bond length is 2.03 Å. There is one shorter (1.95 Å) and one longer (2.01 Å) V(2)-O(2) bond length. The V(2)-F(1) bond length is 2.06 Å. The V(2)-F(2) bond length is 2.10 Å. The V(2)-F(3) bond length is 2.07 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(1) and two equivalent V(2) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one V(2) atom. In the second F site, F(2) is bonded in a T-shaped geometry to one Li(1), one V(1), and one V(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom.