CobaltMaghrebV1, PascalFrancis, Curation, bibRecord, 000031

Crystal structure of a modulated composite structure with two subsystems: Ba1.1064CoO3

Identifieur interne : 000031 ( PascalFrancis/Curation ); précédent : 000030; suivant : 000032

Crystal 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.

RBID : Pascal:02-0047212

Descripteurs français

Pascal (Inist)
- Etude expérimentale, Diffraction RX, Résolution structurale, Superespace, Structure cristalline, Matériau modulé, Surstructure, Phase incommensurable, Baryum oxyde, Cobalt oxyde, Perovskites, 6144F, 6166F, Ba1,1064CoO3, Ba Co O.

English descriptors

KwdEn :
- Barium oxides, Cobalt oxides, Crystal structure, Experimental study, Incommensurate phases, Modulated materials, Perovskites, Structure resolution, Superspace, Superstructure, XRD.

Abstract

The structure of Ba_1.1064CoO₃ 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.

A01	`01`	`1`		`@0 0022-4596`
A02	`01`			`@0 JSSCBI`
A03		`1`		`@0 J. solid state chem.`
A05				`@2 161`
A06				`@2 2`
A08	`01`	`1`	`ENG`	`@1 Crystal structure of a modulated composite structure with two subsystems: Ba_1.1064CoO₃`
A11	`01`	`1`		`@1 EL ABED (A.)`
A11	`02`	`1`		`@1 ELQEBBAJ (S. E.)`
A11	`03`	`1`		`@1 ZAKHOUR (M.)`
A11	`04`	`1`		`@1 CHAMPEAUX (M.)`
A11	`05`	`1`		`@1 PEREZ-MATO (J. M.)`
A11	`06`	`1`		`@1 DARRIET (J.)`
A14	`01`			`@1 Institut de Chimie de la Matière Condensée de Bordeaux (ICMCB-CNRS), 87 Av. du docteur A. Schweitzer @2 33608 Pessac @3 FRA @Z 1 aut. @Z 3 aut. @Z 4 aut. @Z 6 aut.`
A14	`02`			`@1 Laboratoire de Physique du Solide, Faculté des Sciences, Université Mohamed I @2 Oujda @3 MAR @Z 2 aut.`
A14	`03`			`@1 Departamento de Fisica de la Materia Condensada, Facultad de Ciencias, Universidad del Pais Vasco, Apdo 644 @2 48080 Bilbao @3 ESP @Z 5 aut.`
A20				`@1 300-306`
A21				`@1 2001`
A23	`01`			`@0 ENG`
A43	`01`			`@1 INIST @2 14677 @5 354000094259850160`
A44				`@0 0000 @1 © 2002 INIST-CNRS. All rights reserved.`
A45				`@0 30 ref.`
A47	`01`	`1`		`@0 02-0047212`
A60				`@1 P`
A61				`@0 A`
A64	`01`	`1`		`@0 Journal of solid state chemistry`
A66	`01`			`@0 USA`
C01	`01`		`ENG`	@0 The structure of Ba_1.1064CoO₃ 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.
C02	`01`	`3`		`@0 001B60A44F`
C02	`02`	`3`		`@0 001B60A66F1`
C03	`01`	`3`	`FRE`	`@0 Etude expérimentale @5 01`
C03	`01`	`3`	`ENG`	`@0 Experimental study @5 01`
C03	`02`	`3`	`FRE`	`@0 Diffraction RX @5 02`
C03	`02`	`3`	`ENG`	`@0 XRD @5 02`
C03	`03`	`X`	`FRE`	`@0 Résolution structurale @5 03`
C03	`03`	`X`	`ENG`	`@0 Structure resolution @5 03`
C03	`03`	`X`	`SPA`	`@0 Resolución estructural @5 03`
C03	`04`	`X`	`FRE`	`@0 Superespace @5 04`
C03	`04`	`X`	`ENG`	`@0 Superspace @5 04`
C03	`04`	`X`	`SPA`	`@0 Superespacio @5 04`
C03	`05`	`3`	`FRE`	`@0 Structure cristalline @5 05`
C03	`05`	`3`	`ENG`	`@0 Crystal structure @5 05`
C03	`06`	`3`	`FRE`	`@0 Matériau modulé @5 06`
C03	`06`	`3`	`ENG`	`@0 Modulated materials @5 06`
C03	`07`	`X`	`FRE`	`@0 Surstructure @5 07`
C03	`07`	`X`	`ENG`	`@0 Superstructure @5 07`
C03	`07`	`X`	`SPA`	`@0 Superestructura @5 07`
C03	`08`	`3`	`FRE`	`@0 Phase incommensurable @5 08`
C03	`08`	`3`	`ENG`	`@0 Incommensurate phases @5 08`
C03	`09`	`3`	`FRE`	`@0 Baryum oxyde @2 NK @5 10`
C03	`09`	`3`	`ENG`	`@0 Barium oxides @2 NK @5 10`
C03	`10`	`3`	`FRE`	`@0 Cobalt oxyde @2 NK @5 11`
C03	`10`	`3`	`ENG`	`@0 Cobalt oxides @2 NK @5 11`
C03	`11`	`3`	`FRE`	`@0 Perovskites @5 12`
C03	`11`	`3`	`ENG`	`@0 Perovskites @5 12`
C03	`12`	`3`	`FRE`	`@0 6144F @2 PAC @4 INC @5 57`
C03	`13`	`3`	`FRE`	`@0 6166F @2 PAC @4 INC @5 58`
C03	`14`	`3`	`FRE`	`@0 Ba1,1064CoO3 @4 INC @5 92`
C03	`15`	`3`	`FRE`	`@0 Ba Co O @4 INC @5 93`
C07	`01`	`3`	`FRE`	`@0 Composé minéral @5 16`
C07	`01`	`3`	`ENG`	`@0 Inorganic compounds @5 16`
C07	`02`	`3`	`FRE`	`@0 Métal transition composé @5 17`
C07	`02`	`3`	`ENG`	`@0 Transition element compounds @5 17`
N21				`@1 021`

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Le document en format XML

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<author><name sortKey="Elqebbaj, S E" sort="Elqebbaj, S E" uniqKey="Elqebbaj S" first="S. E." last="Elqebbaj">S. E. Elqebbaj</name>
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<author><name sortKey="Champeaux, M" sort="Champeaux, M" uniqKey="Champeaux M" first="M." last="Champeaux">M. Champeaux</name>
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<series><title level="j" type="main">Journal of solid state chemistry</title>
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<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>
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<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>
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<fA08 i1="01" i2="1" l="ENG"><s1>Crystal structure of a modulated composite structure with two subsystems: Ba<sub>1.1064</sub>
CoO<sub>3</sub>
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<fA11 i1="01" i2="1"><s1>EL ABED (A.)</s1>
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<fA11 i1="06" i2="1"><s1>DARRIET (J.)</s1>
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<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>
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<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>
</fA14>
<fA14 i1="03"><s1>Departamento de Fisica de la Materia Condensada, Facultad de Ciencias, Universidad del Pais Vasco, Apdo 644</s1>
<s2>48080 Bilbao</s2>
<s3>ESP</s3>
<sZ>5 aut.</sZ>
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<fC01 i1="01" l="ENG"><s0>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.</s0>
</fC01>
<fC02 i1="01" i2="3"><s0>001B60A44F</s0>
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<s5>01</s5>
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<s5>01</s5>
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<s5>02</s5>
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<s5>03</s5>
</fC03>
<fC03 i1="04" i2="X" l="FRE"><s0>Superespace</s0>
<s5>04</s5>
</fC03>
<fC03 i1="04" i2="X" l="ENG"><s0>Superspace</s0>
<s5>04</s5>
</fC03>
<fC03 i1="04" i2="X" l="SPA"><s0>Superespacio</s0>
<s5>04</s5>
</fC03>
<fC03 i1="05" i2="3" l="FRE"><s0>Structure cristalline</s0>
<s5>05</s5>
</fC03>
<fC03 i1="05" i2="3" l="ENG"><s0>Crystal structure</s0>
<s5>05</s5>
</fC03>
<fC03 i1="06" i2="3" l="FRE"><s0>Matériau modulé</s0>
<s5>06</s5>
</fC03>
<fC03 i1="06" i2="3" l="ENG"><s0>Modulated materials</s0>
<s5>06</s5>
</fC03>
<fC03 i1="07" i2="X" l="FRE"><s0>Surstructure</s0>
<s5>07</s5>
</fC03>
<fC03 i1="07" i2="X" l="ENG"><s0>Superstructure</s0>
<s5>07</s5>
</fC03>
<fC03 i1="07" i2="X" l="SPA"><s0>Superestructura</s0>
<s5>07</s5>
</fC03>
<fC03 i1="08" i2="3" l="FRE"><s0>Phase incommensurable</s0>
<s5>08</s5>
</fC03>
<fC03 i1="08" i2="3" l="ENG"><s0>Incommensurate phases</s0>
<s5>08</s5>
</fC03>
<fC03 i1="09" i2="3" l="FRE"><s0>Baryum oxyde</s0>
<s2>NK</s2>
<s5>10</s5>
</fC03>
<fC03 i1="09" i2="3" l="ENG"><s0>Barium oxides</s0>
<s2>NK</s2>
<s5>10</s5>
</fC03>
<fC03 i1="10" i2="3" l="FRE"><s0>Cobalt oxyde</s0>
<s2>NK</s2>
<s5>11</s5>
</fC03>
<fC03 i1="10" i2="3" l="ENG"><s0>Cobalt oxides</s0>
<s2>NK</s2>
<s5>11</s5>
</fC03>
<fC03 i1="11" i2="3" l="FRE"><s0>Perovskites</s0>
<s5>12</s5>
</fC03>
<fC03 i1="11" i2="3" l="ENG"><s0>Perovskites</s0>
<s5>12</s5>
</fC03>
<fC03 i1="12" i2="3" l="FRE"><s0>6144F</s0>
<s2>PAC</s2>
<s4>INC</s4>
<s5>57</s5>
</fC03>
<fC03 i1="13" i2="3" l="FRE"><s0>6166F</s0>
<s2>PAC</s2>
<s4>INC</s4>
<s5>58</s5>
</fC03>
<fC03 i1="14" i2="3" l="FRE"><s0>Ba1,1064CoO3</s0>
<s4>INC</s4>
<s5>92</s5>
</fC03>
<fC03 i1="15" i2="3" l="FRE"><s0>Ba Co O</s0>
<s4>INC</s4>
<s5>93</s5>
</fC03>
<fC07 i1="01" i2="3" l="FRE"><s0>Composé minéral</s0>
<s5>16</s5>
</fC07>
<fC07 i1="01" i2="3" l="ENG"><s0>Inorganic compounds</s0>
<s5>16</s5>
</fC07>
<fC07 i1="02" i2="3" l="FRE"><s0>Métal transition composé</s0>
<s5>17</s5>
</fC07>
<fC07 i1="02" i2="3" l="ENG"><s0>Transition element compounds</s0>
<s5>17</s5>
</fC07>
<fN21><s1>021</s1>
</fN21>
</pA>
</standard>
</inist>
</record>

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	Serveur d'exploration sur le cobalt au Maghreb
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Serveur d'exploration sur le cobalt au Maghreb

Crystal structure of a modulated composite structure with two subsystems: Ba1.1064CoO3

Crystal structure of a modulated composite structure with two subsystems: Ba1.1064CoO3

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