LiCo3OF5 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted bent 150 degrees geometry to one F(1), one F(2), and one F(4) atom. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom. In the second Co site, Co(2) is bonded in a 5-coordinate geometry to one F(1), one F(2), one F(3), one F(4), and one F(5) atom. In the third Co site, Co(3) is bonded in a distorted bent 120 degrees geometry to one O(1), one F(3), and one F(5) atom. O(1) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one Co(3) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Li(1), one Co(1), and one Co(2) atom. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Co(1), and one Co(2) atom. In the third F site, F(3) is bonded in a distorted bent 120 degrees geometry to one Co(1), one Co(2), and one Co(3) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one Co(2) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one Co(3) atom.
LiCo3OF5 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted bent 150 degrees geometry to one F(1), one F(2), and one F(4) atom. The Li(1)-F(1) bond length is 1.21 Å. The Li(1)-F(2) bond length is 1.57 Å. The Li(1)-F(4) bond length is 2.56 Å. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom. The Co(1)-O(1) bond length is 1.91 Å. The Co(1)-F(1) bond length is 1.97 Å. The Co(1)-F(2) bond length is 2.52 Å. The Co(1)-F(3) bond length is 1.77 Å. The Co(1)-F(4) bond length is 2.55 Å. The Co(1)-F(5) bond length is 2.23 Å. In the second Co site, Co(2) is bonded in a 5-coordinate geometry to one F(1), one F(2), one F(3), one F(4), and one F(5) atom. The Co(2)-F(1) bond length is 2.29 Å. The Co(2)-F(2) bond length is 1.75 Å. The Co(2)-F(3) bond length is 2.49 Å. The Co(2)-F(4) bond length is 2.29 Å. The Co(2)-F(5) bond length is 1.86 Å. In the third Co site, Co(3) is bonded in a distorted bent 120 degrees geometry to one O(1), one F(3), and one F(5) atom. The Co(3)-O(1) bond length is 2.49 Å. The Co(3)-F(3) bond length is 1.55 Å. The Co(3)-F(5) bond length is 1.31 Å. O(1) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one Co(3) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Li(1), one Co(1), and one Co(2) atom. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Co(1), and one Co(2) atom. In the third F site, F(3) is bonded in a distorted bent 120 degrees geometry to one Co(1), one Co(2), and one Co(3) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one Co(2) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one Co(3) atom.