LiCo2As3O10: une nouvelle structure à tunnels interconnectés

Youssef Ben Smida,Abderrahmen Guesmi,Ahmed Driss

doi:10.1107/s1600536813013548

Youssef Ben Smida, Abderrahmen Guesmi + Show 1 more

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https://doi.org/10.1107/s1600536813013548

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Abstract

The title compound, lithium dicobalt(II) triarsenate, LiCo2As3O10, was synthesized by a solid-state reaction. The As atoms and four out of seven O atoms lie on special positions, all with site symmetry m. The Li atoms are disordered over two independent special (site symmetry -1) and general positions with occupancies of 0.54 (7) and 0.23 (4), respectively. The structure model is supported by bond-valence-sum (BVS) and charge-distribution (CHARDI) methods. The structure can be described as a three-dimensional framework constructed from bi-octahedral Co2O10 dimers edge-connected to As3O10 groups. It delimits two sets of tunnels, running parallel to the a and b axes, the latter being the larger. The Li+ ions are located within the intersections of the tunnels. The possible motion of the alkali cations has been investigated by means of the BVS model. This simulation shows that the Li+ motion appears to be easier mainly along the b-axis direction and that this material may possess interesting conduction properties.

Highlights

As atoms and four out of seven O atoms lie on special positions, all with site symmetry m
The Li atoms are disordered over two independent special
The structure can be described as a three-dimensional framework constructed from bi-octahedral Co2O10 dimers edge-connected to As3O10 groups

Summary

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The Li atoms are disordered over two independent special (site symmetry 1). The structure can be described as a three-dimensional framework constructed from bi-octahedral Co2O10 dimers edge-connected to As3O10 groups. It delimits two sets of tunnels, running parallel to the a and b axes, the latter being the larger. The possible motion of the alkali cations has been investigated by means of the BVS model. This simulation shows that the Li+ motion appears to be easier mainly along the b-axis direction and that this material may possess interesting conduction properties

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