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Figure 5
Comparison of LiCoOO and CoO(OH) lattice structures. (a) shows an overlap of the 13 Co atom domain model 1, using the LiCoOO (red) and CoO(OH) (green) mineral structures, centered on the central Co atom. The overlap shows the slight expansion of the domain size for the CoO(OH) compared with the LiCoOO lattice. (b) shows the PDF calculated for model 1 using the LiCoOO (red) and CoO(OH) (green) lattices. The black line is the experimental PDF measured for the CoPi, normalized to the amplitudes of the calculated PDF from the amplitudes of the di-μ-oxo linked Co–Co peaks. The insets show an enlargement of the PDF around the di-μ-oxo linked Co–Co peak. The vertical lines highlight longer range Co—Co distance peaks in the experiment that are found to more closely match those in the LiCoOO domain compared with the CoO(OH) domain. The experimental peak at 10.08 Å is labelled by the Co1—Co11 and Co1—Co12 atom pair distances, annotated in (a), and correlates to the 10.15 Å peak for LiCoOO and the 10.28 Å peak for CoO(OH).

ISSN: 2052-5206
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