TABLE 2.
Lattice parameters, refined lithium occupancies, and relative changes in lithium content in LixNi0.6Mn0.2Co0.2O2 derived from neutron powder diffraction (ND) and electrochemical (EC) measurements.
| Sample | a, Å | c, Å | Li occupancy from ND | Δx(Li), from ND | Δx(Li), from EC |
|---|---|---|---|---|---|
| Cell 0 | 2.866 | 14.181 | 0.731 | - | - |
| Cell 1 | 2.864 | 14.193 | 0.651 ± 0.018 | 8.0% ± 1.8% | 6.5% |
| Cell 2 | 2.826 | 14.405 | 0.471 ± 0.023 | 26.0% ± 2.3% | 41.2% |
Lithium occupancies and changes in lithium content were obtained from Rietveld refinement of neutron diffraction patterns, while electrochemical values were calculated from the corresponding cycling curves. Values in parentheses indicate estimated standard deviations.