Elaboration, structural study and validation of a new NASICON-type structure, Na0.72(Cr0.48,Al1.52)(Mo2.77,Al0.23)O12.
Acta Crystallogr E Crystallogr Commun
; 74(Pt 3): 406-409, 2018 Mar 01.
Article
em En
| MEDLINE
| ID: mdl-29765733
ABSTRACT
The title compound, sodium chromium/aluminium molybdenum/aluminium dodeca-oxide, 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) octa-hedra and M2O4 (M2 = Mo/Al) tetra-hedra inter-connected 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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2018
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Article