L'arséniate Na3Fe2(AsO4)3: étude structurale de la forme basse température et simulation des propriétés de conduction des cations alcalins

The crystal structure of the low‐temperature garnet‐like form of trisodium diiron(III) triarsenate, Na3Fe2(AsO4)3, exhibits a three‐dimensional framework with small tunnels running along the [111] direction, in which the Na+ cations are located. This study demonstrates the structural origins of the...

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Published in:Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2008-05, Vol.64 (5), p.i41-i44
Main Authors: Ouerfelli, Najoua, Guesmi, Abderrahmen, Mazza, Daniele, Zid, Mohamed Faouzi, Driss, Ahmed
Format: Article
Language:English
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Chemical bonds
Chemical compounds
Crystal structure
Crystallography
Mineralogy
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container_title Acta crystallographica. Section C, Crystal structure communications
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Guesmi, Abderrahmen
Mazza, Daniele
Zid, Mohamed Faouzi
Driss, Ahmed
description The crystal structure of the low‐temperature garnet‐like form of trisodium diiron(III) triarsenate, Na3Fe2(AsO4)3, exhibits a three‐dimensional framework with small tunnels running along the [111] direction, in which the Na+ cations are located. This study demonstrates the structural origins of the different ionic conductivities of the low‐ and high‐temperature forms. Sodium conduction properties are simulated by means of the bond‐valence‐sum (BVS) model; the correlations between the low‐ and high‐temperature crystal structures are discussed. The As, Fe and Na atoms lie on special positions (Wyckoff symbols 24d, 16a and 24c, respectively).
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subjects Chemical bonds
Chemical compounds
Crystal structure
Crystallography
Mineralogy
title L'arséniate Na3Fe2(AsO4)3: étude structurale de la forme basse température et simulation des propriétés de conduction des cations alcalins
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