Multiple lithium sites in kaolinite

This dataset includes all supporting data and model files for the figures and tables presented in this paper, provided as four separate files. Data of all supplementary tables.xlsx compiles the raw data for all Supplementary Tables (Tables S1–S4). Data of tables in the main text.xlsx compiles the raw data underlying the tables in the main text. The source data for figures.xlsx provides the plotting source data for all figures in the paper, enabling reproduction of the curves, scatter plots, and associated statistical results. Source models of Figure 7.zip contains the structural/computational model source files used for Figure 7, allowing reproduction of the modeling workflow and figure visualization. Collectively, these files ensure full traceability and reproducibility of the reported graphical and tabulated results.