Lithium cobalt oxide (layered) LiCoO₂

Unit cell

Lattice constants

a = 2.816 Å, b = 2.816 Å, c = 14.050 Å; α = 90°, β = 90°, γ = 120°

Cell volume

96.5 ų

Atoms in the cell

12 (Li 3, Co 3, O 6)

Formula units Z

3

Calculated density

5.05 g cm⁻³

Shortest contact

1.922 Å

Coordination

Li

CN 6 at 2.09 Å (6 O)

Co

CN 6 at 1.92 Å (6 O)

O

CN 6 at 1.92 Å (3 Co + 3 Li)

About the structure

• A ccp array of O²⁻ in which alternate layers of octahedral holes are filled by Li⁺ and by Co³⁺ — rock salt with the cations ordered into layers.
• Coordination: Li 6, Co 6, O 6 (3 Li + 3 Co).
• The first commercial Li-ion cathode: Li⁺ leaves and re-enters between the CoO₂ sheets along the ab plane, while Co³⁺/Co⁴⁺ balances the charge.
• LiNiO₂, NaCoO₂ and the NMC cathodes (LiNi₁₋ₓ₋ᵧMnₓCoᵧO₂) share this structure.

Atom positions (fractional, one cell)

Z, coordination numbers, distances, density and packing on this page are computed from these coordinates.