LiCoOF2 is Ilmenite-derived structured and crystallizes in the monoclinic Cc space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms. Co(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form corner-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 38-44°. O(1) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Co(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted see-saw-like geometry to two equivalent Li(1) and two equivalent Co(1) atoms. In the second F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Co(1) atoms.
LiCoOF2 is Ilmenite-derived structured and crystallizes in the monoclinic Cc space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms. There is one shorter (2.04 Å) and one longer (2.37 Å) Li(1)-O(1) bond length. There is one shorter (1.97 Å) and one longer (2.04 Å) Li(1)-F(1) bond length. There is one shorter (1.95 Å) and one longer (2.44 Å) Li(1)-F(2) bond length. Co(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form corner-sharing CoO2F4 octahedra. The corner-sharing octahedral tilt angles range from 38-44°. There is one shorter (1.79 Å) and one longer (1.92 Å) Co(1)-O(1) bond length. There is one shorter (2.08 Å) and one longer (2.14 Å) Co(1)-F(1) bond length. There is one shorter (2.05 Å) and one longer (2.09 Å) Co(1)-F(2) bond length. O(1) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Co(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted see-saw-like geometry to two equivalent Li(1) and two equivalent Co(1) atoms. In the second F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Co(1) atoms.