Exploring the limits of Fe-rich chemistries in Na-based CaFe2O4-type postspinel oxides

Data set from Exploring the limits of Fe-rich chemistries in Na-based CaFe2O4 -type postspinel oxides. - Publication : Louise Benincasa, Mathieu Duttine, Céline Goujon, Murielle Legendre, Matthew Suchomel, et al.. Exploring the limits of Fe-rich chemistries in Na-based CaFe2O4 -type postspinel oxides. Inorganic Chemistry, 2024, 63 (22), pp.10373-10385. Hal-04601031 Dataset production context : This study of the NaFexRu2-xO4 system reveals a limited solid solution (1 ≤ x ≤ 1.3) adopting the CaFe2O4-type structure, in contrast to the NaFexTi2-xO4 system. Maintaining trivalent iron states for all compositions, detailed structural analysis reveals narrowed sodium ion diffusion channels with increasing Fe content, limiting the performance as positive electrode materials for sodium batteries. This fundamental insight guides the exploration of alternative NaM2O4-based positive electrode materials with a post spinel type structure.