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

卷:74

Manel Sonni¹  Mohamed Faouzi Zid¹  Imen Jendoubi¹ 

[1] University of Tunis El Manar, Faculty of Sciences of Tunis, Laboratory of Materials, Crystal Chemistry and Applied Thermodynamics, 2092 ElManar II, Tunis, Tunisia;

关键词: NASICON structure;    framework;    crystal structure;    BVS;    CHARDI;   

DOI  :  10.1107/S2056989018003031

来源: DOAJ

【 摘 要 】

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.

【 授权许可】

Unknown