Crystal structure of a modulated composite structure with two subsystems: Ba1.1064CoO3
Identifieur interne : 000285 ( France/Analysis ); précédent : 000284; suivant : 000286Crystal structure of a modulated composite structure with two subsystems: Ba1.1064CoO3
Auteurs : A. El Abed [France] ; S. E. Elqebbaj [Maroc] ; M. Zakhour [France] ; M. Champeaux [France] ; J. M. Perez-Mato [Espagne] ; J. Darriet [France]Source :
- Journal of solid state chemistry [ 0022-4596 ] ; 2001.
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- Pascal (Inist)
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Abstract
The structure of Ba1.1064CoO3 has been solved in the (3+1)-dimensional formalism. The structure is described as a modulated chain composite with two subsystems, [CoO3] and [Ba], respectively. The superspace group is R-3m(00γ)0s with a = 9.8842(20) Å, c = 2.4785(12) Å, and q = 0.5532(4) c* (Z = 3). A saw-tooth function was used to model both the occupational and displacive modulations. Each atomic saw-tooth function is defined by its center x4 along the fourth dimension, its width (A), and the maximum amplitude of the displacive modulation (δ). The paper describes how, as a first approximation, the columns (CoO3) can be mainly described by a single free parameter, based on the height difference of the trigonal prisms and octahedra that constitute the transition metal chains. As a result, this superspace formalism requires only a small number of variables to be refined, compared to the conventional superstructure description.
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El Abed</name><affiliation wicri:level="3"><inist:fA14 i1="01"><s1>Institut de Chimie de la Matière Condensée de Bordeaux (ICMCB-CNRS), 87 Av. du docteur A. Schweitzer</s1><s2>33608 Pessac</s2><s3>FRA</s3><sZ>1 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country>France</country><placeName><region type="region" nuts="2">Nouvelle-Aquitaine</region><region type="old region" nuts="2">Aquitaine</region><settlement type="city">Pessac</settlement></placeName></affiliation></author><author><name sortKey="Elqebbaj, S E" sort="Elqebbaj, S E" uniqKey="Elqebbaj S" first="S. E." last="Elqebbaj">S. E. Elqebbaj</name><affiliation wicri:level="1"><inist:fA14 i1="02"><s1>Laboratoire de Physique du Solide, Faculté des Sciences, Université Mohamed I</s1><s2>Oujda</s2><s3>MAR</s3><sZ>2 aut.</sZ></inist:fA14><country>Maroc</country><wicri:noRegion>Oujda</wicri:noRegion></affiliation></author><author><name sortKey="Zakhour, M" sort="Zakhour, M" uniqKey="Zakhour M" first="M." last="Zakhour">M. Zakhour</name><affiliation wicri:level="3"><inist:fA14 i1="01"><s1>Institut de Chimie de la Matière Condensée de Bordeaux (ICMCB-CNRS), 87 Av. du docteur A. Schweitzer</s1><s2>33608 Pessac</s2><s3>FRA</s3><sZ>1 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country>France</country><placeName><region type="region" nuts="2">Nouvelle-Aquitaine</region><region type="old region" nuts="2">Aquitaine</region><settlement type="city">Pessac</settlement></placeName></affiliation></author><author><name sortKey="Champeaux, M" sort="Champeaux, M" uniqKey="Champeaux M" first="M." last="Champeaux">M. Champeaux</name><affiliation wicri:level="3"><inist:fA14 i1="01"><s1>Institut de Chimie de la Matière Condensée de Bordeaux (ICMCB-CNRS), 87 Av. du docteur A. 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Darriet</name><affiliation wicri:level="3"><inist:fA14 i1="01"><s1>Institut de Chimie de la Matière Condensée de Bordeaux (ICMCB-CNRS), 87 Av. du docteur A. Schweitzer</s1><s2>33608 Pessac</s2><s3>FRA</s3><sZ>1 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country>France</country><placeName><region type="region" nuts="2">Nouvelle-Aquitaine</region><region type="old region" nuts="2">Aquitaine</region><settlement type="city">Pessac</settlement></placeName></affiliation></author></analytic><series><title level="j" type="main">Journal of solid state chemistry</title><title level="j" type="abbreviated">J. solid state chem.</title><idno type="ISSN">0022-4596</idno><imprint><date when="2001">2001</date></imprint></series></biblStruct></sourceDesc><seriesStmt><title level="j" type="main">Journal of solid state chemistry</title><title level="j" type="abbreviated">J. solid state chem.</title><idno type="ISSN">0022-4596</idno></seriesStmt></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Barium oxides</term><term>Cobalt oxides</term><term>Crystal structure</term><term>Experimental study</term><term>Incommensurate phases</term><term>Modulated materials</term><term>Perovskites</term><term>Structure resolution</term><term>Superspace</term><term>Superstructure</term><term>XRD</term></keywords><keywords scheme="Pascal" xml:lang="fr"><term>Etude expérimentale</term><term>Diffraction RX</term><term>Résolution structurale</term><term>Superespace</term><term>Structure cristalline</term><term>Matériau modulé</term><term>Surstructure</term><term>Phase incommensurable</term><term>Baryum oxyde</term><term>Cobalt oxyde</term><term>Perovskites</term><term>6144F</term><term>6166F</term><term>Ba1,1064CoO3</term><term>Ba Co O</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">The structure of Ba<sub>1.1064</sub>CoO<sub>3</sub> has been solved in the (3+1)-dimensional formalism. The structure is described as a modulated chain composite with two subsystems, [CoO<sub>3</sub>] and [Ba], respectively. The superspace group is R-3m(00γ)0s with a = 9.8842(20) Å, c = 2.4785(12) Å, and q = 0.5532(4) c<sup>*</sup> (Z = 3). A saw-tooth function was used to model both the occupational and displacive modulations. Each atomic saw-tooth function is defined by its center x<sub>4</sub> along the fourth dimension, its width (A), and the maximum amplitude of the displacive modulation (δ). The paper describes how, as a first approximation, the columns (CoO<sub>3</sub>) can be mainly described by a single free parameter, based on the height difference of the trigonal prisms and octahedra that constitute the transition metal chains. As a result, this superspace formalism requires only a small number of variables to be refined, compared to the conventional superstructure description.</div></front></TEI><affiliations><list><country><li>Espagne</li><li>France</li><li>Maroc</li></country><region><li>Aquitaine</li><li>Nouvelle-Aquitaine</li><li>Pays basque</li></region><settlement><li>Pessac</li></settlement></list><tree><country name="France"><region name="Nouvelle-Aquitaine"><name sortKey="El Abed, A" sort="El Abed, A" uniqKey="El Abed A" first="A." last="El Abed">A. El Abed</name></region><name sortKey="Champeaux, M" sort="Champeaux, M" uniqKey="Champeaux M" first="M." last="Champeaux">M. Champeaux</name><name sortKey="Darriet, J" sort="Darriet, J" uniqKey="Darriet J" first="J." last="Darriet">J. Darriet</name><name sortKey="Zakhour, M" sort="Zakhour, M" uniqKey="Zakhour M" first="M." last="Zakhour">M. Zakhour</name></country><country name="Maroc"><noRegion><name sortKey="Elqebbaj, S E" sort="Elqebbaj, S E" uniqKey="Elqebbaj S" first="S. E." last="Elqebbaj">S. E. Elqebbaj</name></noRegion></country><country name="Espagne"><region name="Pays basque"><name sortKey="Perez Mato, J M" sort="Perez Mato, J M" uniqKey="Perez Mato J" first="J. M." last="Perez-Mato">J. M. Perez-Mato</name></region></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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