LiCo2O2F3 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms. Co(1) is bonded to three equivalent O(1), one F(2), and two equivalent F(1) atoms to form a mixture of corner and edge-sharing CoO3F3 octahedra. The corner-sharing octahedral tilt angles range from 20-49°. O(1) is bonded in a 4-coordinate geometry to one Li(1) and three equivalent Co(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent Co(1) atoms. In the second F site, F(2) is bonded to two equivalent Li(1) and two equivalent Co(1) atoms to form distorted corner-sharing FLi2Co2 tetrahedra.
LiCo2O2F3 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms. Both Li(1)-O(1) bond lengths are 2.59 Å. Both Li(1)-F(1) bond lengths are 1.90 Å. Both Li(1)-F(2) bond lengths are 2.03 Å. Co(1) is bonded to three equivalent O(1), one F(2), and two equivalent F(1) atoms to form a mixture of corner and edge-sharing CoO3F3 octahedra. The corner-sharing octahedral tilt angles range from 20-49°. There are two shorter (1.85 Å) and one longer (2.07 Å) Co(1)-O(1) bond length. The Co(1)-F(2) bond length is 2.18 Å. There is one shorter (1.95 Å) and one longer (2.11 Å) Co(1)-F(1) bond length. O(1) is bonded in a 4-coordinate geometry to one Li(1) and three equivalent Co(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent Co(1) atoms. In the second F site, F(2) is bonded to two equivalent Li(1) and two equivalent Co(1) atoms to form distorted corner-sharing FLi2Co2 tetrahedra.