Crystal Lab › Ion conductors & batteries
Lithium manganese oxide (spinel) LiMn₂O₄
Spinel cathode · space group Fd-3m (No. 227) · Z = 8
Unit cell
- Lattice constants
- a = 8.245 Å, b = 8.245 Å, c = 8.245 Å; α = 90°, β = 90°, γ = 90°
- Cell volume
- 560.5 ų
- Atoms in the cell
- 56 (Li 8, Mn 16, O 32)
- Formula units Z
- 8
- Calculated density
- 4.29 g cm⁻³
- Shortest contact
- 1.956 Å
Coordination
- Li
- CN 4 at 1.96 Å (4 O)
- Mn
- CN 6 at 1.97 Å (6 O)
- O
- CN 4 at 1.96 Å (1 Li + 3 Mn)
About the structure
- A normal spinel: Li⁺ on the tetrahedral 8a sites, Mn³⁺/Mn⁴⁺ on the octahedral 16d sites, O²⁻ ccp.
- Coordination: Li 4, Mn 6, O 4.
- The empty 16c octahedral sites link the 8a sites into a 3D network, so Li⁺ can move in every direction — unlike the 2D paths of LiCoO₂.
- A low-cost, cobalt-free cathode (LMO); the Mn³⁺ Jahn–Teller distortion limits its cycle life.
Atom positions (fractional, one cell)
| Atom | x | y | z |
|---|---|---|---|
| Li | 0.0000 | 0.0000 | 0.0000 |
| Li | 0.0000 | 0.5000 | 0.5000 |
| Li | 0.5000 | 0.0000 | 0.5000 |
| Li | 0.5000 | 0.5000 | 0.0000 |
| Li | 0.7500 | 0.2500 | 0.7500 |
| Li | 0.7500 | 0.7500 | 0.2500 |
| Li | 0.2500 | 0.2500 | 0.2500 |
| Li | 0.2500 | 0.7500 | 0.7500 |
| Mn | 0.6250 | 0.6250 | 0.6250 |
| Mn | 0.6250 | 0.1250 | 0.1250 |
| Mn | 0.1250 | 0.6250 | 0.1250 |
| Mn | 0.1250 | 0.1250 | 0.6250 |
| Mn | 0.3750 | 0.8750 | 0.1250 |
| Mn | 0.3750 | 0.3750 | 0.6250 |
| Mn | 0.8750 | 0.8750 | 0.6250 |
| Mn | 0.8750 | 0.3750 | 0.1250 |
| Mn | 0.8750 | 0.1250 | 0.3750 |
| Mn | 0.8750 | 0.6250 | 0.8750 |
| Mn | 0.3750 | 0.1250 | 0.8750 |
| Mn | 0.3750 | 0.6250 | 0.3750 |
| Mn | 0.1250 | 0.3750 | 0.8750 |
| Mn | 0.1250 | 0.8750 | 0.3750 |
| Mn | 0.6250 | 0.3750 | 0.3750 |
| Mn | 0.6250 | 0.8750 | 0.8750 |
| O | 0.3870 | 0.3870 | 0.3870 |
| O | 0.3870 | 0.8870 | 0.8870 |
| O | 0.8870 | 0.3870 | 0.8870 |
| O | 0.8870 | 0.8870 | 0.3870 |
| O | 0.6130 | 0.1130 | 0.8870 |
| O | 0.6130 | 0.6130 | 0.3870 |
| O | 0.1130 | 0.1130 | 0.3870 |
| O | 0.1130 | 0.6130 | 0.8870 |
| O | 0.1130 | 0.8870 | 0.6130 |
| O | 0.1130 | 0.3870 | 0.1130 |
| O | 0.6130 | 0.8870 | 0.1130 |
| O | 0.6130 | 0.3870 | 0.6130 |
| O | 0.8870 | 0.6130 | 0.1130 |
| O | 0.8870 | 0.1130 | 0.6130 |
| O | 0.3870 | 0.6130 | 0.6130 |
| O | 0.3870 | 0.1130 | 0.1130 |
| O | 0.1370 | 0.6370 | 0.3630 |
| O | 0.1370 | 0.1370 | 0.8630 |
| O | 0.6370 | 0.6370 | 0.8630 |
| O | 0.6370 | 0.1370 | 0.3630 |
| O | 0.8630 | 0.8630 | 0.8630 |
| O | 0.8630 | 0.3630 | 0.3630 |
| O | 0.3630 | 0.8630 | 0.3630 |
| O | 0.3630 | 0.3630 | 0.8630 |
| O | 0.6370 | 0.3630 | 0.1370 |
| O | 0.6370 | 0.8630 | 0.6370 |
| O | 0.1370 | 0.3630 | 0.6370 |
| O | 0.1370 | 0.8630 | 0.1370 |
| O | 0.3630 | 0.1370 | 0.6370 |
| O | 0.3630 | 0.6370 | 0.1370 |
| O | 0.8630 | 0.1370 | 0.1370 |
| O | 0.8630 | 0.6370 | 0.6370 |
Z, coordination numbers, distances, density and packing on this page are computed from these coordinates.
Other ion conductors & batteries
Lithium cobalt oxide (layered)LiCoO₂ · Layered rock-salt (α-NaFeO₂ type)Lithium nitrideLi₃N · Layered ionic conductorα-Silver iodide (superionic)AgI · Superionic conductor (bcc I⁻ frame)Silver chloride (Frenkel defects)AgCl · AB, 6:6 (rock salt)Lithium iron phosphate (olivine)LiFePO₄ · Olivine-type cathodeNASICONNa₃Zr₂Si₂PO₁₂ · Framework ionic conductor
Open Lithium manganese oxide (spinel) in the 3D viewer → · All structures