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Lithium manganese oxide (spinel) LiMn₂O₄

Spinel cathode · space group Fd-3m (No. 227) · Z = 8

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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)

Atomxyz
Li0.00000.00000.0000
Li0.00000.50000.5000
Li0.50000.00000.5000
Li0.50000.50000.0000
Li0.75000.25000.7500
Li0.75000.75000.2500
Li0.25000.25000.2500
Li0.25000.75000.7500
Mn0.62500.62500.6250
Mn0.62500.12500.1250
Mn0.12500.62500.1250
Mn0.12500.12500.6250
Mn0.37500.87500.1250
Mn0.37500.37500.6250
Mn0.87500.87500.6250
Mn0.87500.37500.1250
Mn0.87500.12500.3750
Mn0.87500.62500.8750
Mn0.37500.12500.8750
Mn0.37500.62500.3750
Mn0.12500.37500.8750
Mn0.12500.87500.3750
Mn0.62500.37500.3750
Mn0.62500.87500.8750
O0.38700.38700.3870
O0.38700.88700.8870
O0.88700.38700.8870
O0.88700.88700.3870
O0.61300.11300.8870
O0.61300.61300.3870
O0.11300.11300.3870
O0.11300.61300.8870
O0.11300.88700.6130
O0.11300.38700.1130
O0.61300.88700.1130
O0.61300.38700.6130
O0.88700.61300.1130
O0.88700.11300.6130
O0.38700.61300.6130
O0.38700.11300.1130
O0.13700.63700.3630
O0.13700.13700.8630
O0.63700.63700.8630
O0.63700.13700.3630
O0.86300.86300.8630
O0.86300.36300.3630
O0.36300.86300.3630
O0.36300.36300.8630
O0.63700.36300.1370
O0.63700.86300.6370
O0.13700.36300.6370
O0.13700.86300.1370
O0.36300.13700.6370
O0.36300.63700.1370
O0.86300.13700.1370
O0.86300.63700.6370

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

Other ion conductors & batteries

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