Elaboration, structural study and validation of a new NASICON-type structure, Na0.72(Cr0.48,Al1.52)(Mo2.77,Al0.23)O12

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Abstract

The title compound, sodium chromium/aluminium molybdenum/aluminium dodecaoxide, Na0.72Cr0.48Al1.74Mo2.77O12, was prepared by solid-state reaction. Its crystal structure is related to NaSICON-type compounds. The framework is built up from M1O6 (M1 = Cr/Al) octahedra and M2O4 (M2 = Mo/Al) tetrahedra interconnected by corners. The three-dimensional framework contains cavities in which sodium cations are located. Two validation models (BVS and CHARDI) were used to confirm the proposed structural model. The mobility of Na+ ions in the structure has been investigated by theoretical means.

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Sonni, M., Jendoubi, I., & Zid, M. F. (2018). Elaboration, structural study and validation of a new NASICON-type structure, Na0.72(Cr0.48,Al1.52)(Mo2.77,Al0.23)O12. Acta Crystallographica Section E: Crystallographic Communications, 74, 406–409. https://doi.org/10.1107/S2056989018003031

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