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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Bibliographic Details
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
Subjects:
Chemical bonds
Chemical compounds
Crystal structure
Crystallography
Mineralogy
Online Access:Get full text
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Summary: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).
ISSN:0108-2701
1600-5759
DOI:10.1107/S0108270108009050