PMID- 18451468 OWN - NLM STAT- PubMed-not-MEDLINE DCOM- 20080703 LR - 20091014 IS - 1600-5759 (Electronic) IS - 0108-2701 (Linking) VI - 64 IP - Pt 5 DP - 2008 May TI - [The arsenate Na3Fe2(AsO4) 3: structural study at low temperature and simulation of conduction properties of alkaline cations]. PG - i41-4 LID - 10.1107/S0108270108009050 [doi] AB - The crystal structure of the low-temperature garnet-like form of trisodium diiron(III) triarsenate, Na(3)Fe(2)(AsO(4))(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). FAU - Ouerfelli, Najoua AU - Ouerfelli N AD - Laboratoire de Materiaux et Cristallochimie, Faculte des Sciences, Universite de Tunis El Manar, El Manar, 2092 Tunis, Tunisie. najoua.ouerfelli@fst.rnu.tn FAU - Guesmi, Abderrahmen AU - Guesmi A FAU - Mazza, Daniele AU - Mazza D FAU - Zid, Mohamed Faouzi AU - Zid MF FAU - Driss, Ahmed AU - Driss A LA - fre PT - English Abstract PT - Journal Article TT - L'arseniate Na3Fe2(AsO4)3: etude structurale de la forme basse temperature et simulation des proprietes de conduction des cations alcalins. DEP - 20080409 PL - United States TA - Acta Crystallogr C JT - Acta crystallographica. Section C, Crystal structure communications JID - 8305826 EDAT- 2008/05/03 09:00 MHDA- 2008/05/03 09:01 CRDT- 2008/05/03 09:00 PHST- 2008/02/14 00:00 [received] PHST- 2008/04/03 00:00 [accepted] PHST- 2008/05/03 09:00 [pubmed] PHST- 2008/05/03 09:01 [medline] PHST- 2008/05/03 09:00 [entrez] AID - S0108270108009050 [pii] AID - 10.1107/S0108270108009050 [doi] PST - ppublish SO - Acta Crystallogr C. 2008 May;64(Pt 5):i41-4. doi: 10.1107/S0108270108009050. Epub 2008 Apr 9.