Elaboration, structural study and validation of a new NASICON-type structure, Na_0.72(Cr_0.48,Al_1.52)(Mo_2.77,Al_0.23)O₁₂.

ABSTRACT: The title compound, sodium chromium/aluminium molybdenum/aluminium dodeca-oxide, Na_0.72Cr_0.48Al_1.74Mo_2.77O₁₂, 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.

SUBMITTER: Sonni M 

PROVIDER: S-EPMC5947813 | biostudies-literature | 2018 Mar

REPOSITORIES: biostudies-literature