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. 2020 Oct 28;10:18430. doi: 10.1038/s41598-020-75134-1

Table 1.

Li/M mixing from Rietveld refinement analysis (details in the Supporting Information).

Lithium site Metal site
Li Na Metal Li Metal
Li(NiCoMn)O2 0.96 0 0.04 0.15 0.85
Li(NiCoMnAl)O2 0.968 0 0.032 0.27 0.73
Li(NiCoMnAlZn)O2 0.965 0 0.035 0.26 0.74
Li(NiCoMnAlFe)O2 0.966 0 0.034 0.25 0.75
Li0.8Na0.2(NiCoMnAlFe)O2 0.8 0.2 0 0.11 0.89

The values are given in fractions of 1. Both Li(NiCoMn)1O2 and Li0.8Na0.2(NiCoMnAlFe)1O2 showed the lowest degree of cation mixing. The different positions are indicated in the crystal structure in Fig. 2.