The novel arsenate Na4Co7−xAl2/3x(AsO4)6 (x = 1.37): crystal structure, charge‐distribution and bond‐valence‐sum investigations
Identifieur interne : 000383 ( Istex/Corpus ); précédent : 000382; suivant : 000384The novel arsenate Na4Co7−xAl2/3x(AsO4)6 (x = 1.37): crystal structure, charge‐distribution and bond‐valence‐sum investigations
Auteurs : Riadh Marzouki ; Abderrahmen Guesmi ; Ahmed DrissSource :
- Acta Crystallographica Section C [ 0108-2701 ] ; 2010-10-15.
Abstract
The title compound, tetrasodium cobalt aluminium hexaarsenate, Na4Co7−xAl2/3x(AsO4)6 (x = 1.37), is isostructural with K4Ni7(AsO4)6; however, in its crystal structure, some of the Co2+ ions are substituted by Al3+ in a fully occupied octahedral site (site symmetry 2/m) and a partially occupied tetrahedral site (site symmetry 2). A third octahedral site is fully occupied by Co2+ ions only. One of the two independent tetrahedral As atoms and two of its attached O atoms reside on a mirror plane, as do two of the three independent Na+ cations, all of which are present at half‐occupancy. The proposed structural model based on a careful investigation of the crystal data is supported by charge‐distribution (CHARDI) analysis and bond‐valence‐sum (BVS) calculations. The correlation between the X‐ray refinement and the validation results is discussed.
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DOI: 10.1107/S0108270110037376
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C</title><idno type="ISSN">0108-2701</idno><idno type="eISSN">1600-5759</idno><imprint><publisher>International Union of Crystallography</publisher><pubPlace>5 Abbey Square, Chester, Cheshire CH1 2HU, England</pubPlace><date type="published" when="2010-10-15">2010-10-15</date><biblScope unit="volume">66</biblScope><biblScope unit="issue">10</biblScope><biblScope unit="page" from="95">i95</biblScope><biblScope unit="page" to="98">i98</biblScope></imprint><idno type="ISSN">0108-2701</idno></series><idno type="istex">89B682C765AA3ECCF423BF6E5ADBCBD47701E595</idno><idno type="DOI">10.1107/S0108270110037376</idno><idno type="ArticleID">AYCSQ3262</idno></biblStruct></sourceDesc><seriesStmt><idno type="ISSN">0108-2701</idno></seriesStmt></fileDesc><profileDesc><textClass></textClass><langUsage><language ident="en">en</language></langUsage></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">The title compound, tetrasodium cobalt aluminium hexaarsenate, Na4Co7−xAl2/3x(AsO4)6 (x = 1.37), is isostructural with K4Ni7(AsO4)6; however, in its crystal structure, some of the Co2+ ions are substituted by Al3+ in a fully occupied octahedral site (site symmetry 2/m) and a partially occupied tetrahedral site (site symmetry 2). A third octahedral site is fully occupied by Co2+ ions only. One of the two independent tetrahedral As atoms and two of its attached O atoms reside on a mirror plane, as do two of the three independent Na+ cations, all of which are present at half‐occupancy. The proposed structural model based on a careful investigation of the crystal data is supported by charge‐distribution (CHARDI) analysis and bond‐valence‐sum (BVS) calculations. 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One of the two independent tetrahedral As atoms and two of its attached O atoms reside on a mirror plane, as do two of the three independent Na+ cations, all of which are present at half‐occupancy. The proposed structural model based on a careful investigation of the crystal data is supported by charge‐distribution (CHARDI) analysis and bond‐valence‐sum (BVS) calculations. The correlation between the X‐ray refinement and the validation results is discussed.</abstract><qualityIndicators><score>3.857</score><pdfVersion>1.3</pdfVersion><pdfPageSize>609.675 x 793.701 pts</pdfPageSize><refBibsNative>false</refBibsNative><keywordCount>0</keywordCount><abstractCharCount>853</abstractCharCount><pdfWordCount>2309</pdfWordCount><pdfCharCount>14389</pdfCharCount><pdfPageCount>4</pdfPageCount><abstractWordCount>129</abstractWordCount></qualityIndicators><title>The novel arsenate Na4Co7−xAl2/3x(AsO4)6 (x = 1.37): crystal structure, charge‐distribution and bond‐valence‐sum investigations</title><genre><json:string>article</json:string></genre><host><volume>66</volume><publisherId><json:string>AYC</json:string></publisherId><pages><last>i98</last><first>i95</first></pages><issn><json:string>0108-2701</json:string></issn><issue>10</issue><genre><json:string>journal</json:string></genre><language><json:string>unknown</json:string></language><eissn><json:string>1600-5759</json:string></eissn><title>Acta Crystallographica Section C</title><doi><json:string>10.1111/(ISSN)1600-5759</json:string></doi></host><publicationDate>2010</publicationDate><copyrightDate>2010</copyrightDate><doi><json:string>10.1107/S0108270110037376</json:string></doi><id>89B682C765AA3ECCF423BF6E5ADBCBD47701E595</id><score>0.16332486</score><fulltext><json:item><original>true</original><mimetype>application/pdf</mimetype><extension>pdf</extension><uri>https://api.istex.fr/document/89B682C765AA3ECCF423BF6E5ADBCBD47701E595/fulltext/pdf</uri></json:item><json:item><original>false</original><mimetype>application/zip</mimetype><extension>zip</extension><uri>https://api.istex.fr/document/89B682C765AA3ECCF423BF6E5ADBCBD47701E595/fulltext/zip</uri></json:item><istex:fulltextTEI uri="https://api.istex.fr/document/89B682C765AA3ECCF423BF6E5ADBCBD47701E595/fulltext/tei"><teiHeader><fileDesc><titleStmt><title level="a" type="main" xml:lang="en">The novel arsenate Na4Co7−xAl2/3x(AsO4)6 (x = 1.37): crystal structure, charge‐distribution and bond‐valence‐sum investigations</title><respStmt><resp>Références bibliographiques récupérées via GROBID</resp><name resp="ISTEX-API">ISTEX-API (INIST-CNRS)</name></respStmt></titleStmt><publicationStmt><authority>ISTEX</authority><publisher>International Union of Crystallography</publisher><pubPlace>5 Abbey Square, Chester, Cheshire CH1 2HU, England</pubPlace><availability><p>International Union of Crystallography, 2010</p></availability><date>2010</date></publicationStmt><sourceDesc><biblStruct type="inbook"><analytic><title level="a" type="main" xml:lang="en">The novel arsenate Na4Co7−xAl2/3x(AsO4)6 (x = 1.37): crystal structure, charge‐distribution and bond‐valence‐sum investigations</title><author xml:id="author-1"><persName><forename type="first">Riadh</forename><surname>Marzouki</surname></persName></author><author xml:id="author-2"><persName><forename type="first">Abderrahmen</forename><surname>Guesmi</surname></persName></author><author xml:id="author-3"><persName><forename type="first">Ahmed</forename><surname>Driss</surname></persName></author></analytic><monogr><title level="j">Acta Crystallographica Section C</title><title level="j" type="abbrev">Acta Cryst. C</title><idno type="pISSN">0108-2701</idno><idno type="eISSN">1600-5759</idno><idno type="DOI">10.1111/(ISSN)1600-5759</idno><imprint><publisher>International Union of Crystallography</publisher><pubPlace>5 Abbey Square, Chester, Cheshire CH1 2HU, England</pubPlace><date type="published" when="2010-10-15"></date><biblScope unit="volume">66</biblScope><biblScope unit="issue">10</biblScope><biblScope unit="page" from="95">i95</biblScope><biblScope unit="page" to="98">i98</biblScope></imprint></monogr><idno type="istex">89B682C765AA3ECCF423BF6E5ADBCBD47701E595</idno><idno type="DOI">10.1107/S0108270110037376</idno><idno type="ArticleID">AYCSQ3262</idno></biblStruct></sourceDesc></fileDesc><profileDesc><creation><date>2010</date></creation><langUsage><language ident="en">en</language></langUsage><abstract xml:lang="en"><p>The title compound, tetrasodium cobalt aluminium hexaarsenate, Na4Co7−xAl2/3x(AsO4)6 (x = 1.37), is isostructural with K4Ni7(AsO4)6; however, in its crystal structure, some of the Co2+ ions are substituted by Al3+ in a fully occupied octahedral site (site symmetry 2/m) and a partially occupied tetrahedral site (site symmetry 2). A third octahedral site is fully occupied by Co2+ ions only. One of the two independent tetrahedral As atoms and two of its attached O atoms reside on a mirror plane, as do two of the three independent Na+ cations, all of which are present at half‐occupancy. The proposed structural model based on a careful investigation of the crystal data is supported by charge‐distribution (CHARDI) analysis and bond‐valence‐sum (BVS) calculations. 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C</title></titleGroup></publicationMeta><publicationMeta level="part" position="10110"><doi origin="wiley">10.1111/ayc.2010.66.issue-10</doi><numberingGroup><numbering type="journalVolume" number="66">66</numbering><numbering type="journalIssue" number="10">10</numbering></numberingGroup><coverDate startDate="2010-10-15">October 2010</coverDate></publicationMeta><publicationMeta level="unit" type="article" position="3" status="forIssue"><doi origin="wiley">10.1107/S0108270110037376</doi><idGroup><id type="unit" value="AYCSQ3262"></id><id type="society" value="sq3262"></id></idGroup><titleGroup><title type="tocHeading1">inorganic compounds</title></titleGroup><copyright>International Union of Crystallography, 2010</copyright><eventGroup><event type="xmlConverted" agent="Converter:BPG_TO_WML3G version:2.3.22 mode:FullText" date="2010-10-05"></event><event type="firstOnline" date="2010-10-05"></event><event type="publishedOnlineFinalForm" date="2010-10-05"></event><event type="xmlConverted" agent="Converter:WILEY_ML3G_TO_WILEY_ML3GV2 version:3.8.8" date="2014-01-06"></event><event type="xmlConverted" agent="Converter:WML3G_To_WML3G version:4.1.7 mode:FullText,remove_FC" date="2014-10-14"></event></eventGroup><numberingGroup><numbering type="pageFirst">i95</numbering><numbering type="pageLast">i98</numbering></numberingGroup><correspondenceTo>Abderrahmen Guesmi, e‐mail: <email>abderrahmen.guesmi@ipeim.rnu.tn</email></correspondenceTo><linkGroup><link type="toTypesetVersion" href="file:AYC.AYCSQ3262.pdf"></link></linkGroup></publicationMeta><contentMeta><unparsedEditorialHistory>Received 19 August 2010, accepted 17 September 2010</unparsedEditorialHistory><countGroup><count type="figureTotal" number="0"></count><count type="tableTotal" number="0"></count><count type="formulaTotal" number="0"></count><count type="wordTotal" number="0"></count><count type="referenceTotal" number="0"></count><count type="linksCrossRef" number="0"></count><count type="linksPubMed" number="0"></count></countGroup><titleGroup><title type="main">The novel arsenate Na<sub>4</sub>Co<sub>7−<i>x</i></sub>Al<sub>2/3<i>x</i></sub>(AsO<sub>4</sub>)<sub>6</sub> (<i>x</i> = 1.37): crystal structure, charge‐distribution and bond‐valence‐sum investigations</title><title type="short">Na<sub>4</sub>Co<sub>5.63</sub>Al<sub>0.91</sub>(AsO<sub>4</sub>)<sub>6</sub></title></titleGroup><creators><creator creatorRole="author" xml:id="cr1"><personName><givenNames>Riadh</givenNames><familyName>Marzouki</familyName></personName></creator><creator creatorRole="author" xml:id="cr2"><personName><givenNames>Abderrahmen</givenNames><familyName>Guesmi</familyName></personName></creator><creator creatorRole="author" xml:id="cr3"><personName><givenNames>Ahmed</givenNames><familyName>Driss</familyName></personName></creator></creators><affiliationGroup><affiliation xml:id="a1" countryCode="TN"><unparsedAffiliation>Laboratoire de Matériaux et Cristallochimie, Faculté des Sciences, El Manar II, 2092 Tunis, Tunisia</unparsedAffiliation></affiliation><affiliation xml:id="a2" countryCode="TN"><unparsedAffiliation>Institut Préparatoire aux Etudes d'Ingénieurs d'El Manar, BP 244 El Manar II, 2092 Tunis, Tunisia</unparsedAffiliation></affiliation></affiliationGroup><abstractGroup><abstract type="main" xml:lang="en"><p>The title compound, tetrasodium cobalt aluminium hexaarsenate, Na<sub>4</sub>Co<sub>7−<i>x</i></sub>Al<sub>2/3<i>x</i></sub>(AsO<sub>4</sub>)<sub>6</sub> (<i>x</i> = 1.37), is isostructural with K<sub>4</sub>Ni<sub>7</sub>(AsO<sub>4</sub>)<sub>6</sub>; however, in its crystal structure, some of the Co<sup>2+</sup> ions are substituted by Al<sup>3+</sup> in a fully occupied octahedral site (site symmetry 2/<i>m</i>) and a partially occupied tetrahedral site (site symmetry 2). A third octahedral site is fully occupied by Co<sup>2+</sup> ions only. One of the two independent tetrahedral As atoms and two of its attached O atoms reside on a mirror plane, as do two of the three independent Na<sup>+</sup> cations, all of which are present at half‐occupancy. The proposed structural model based on a careful investigation of the crystal data is supported by charge‐distribution (CHARDI) analysis and bond‐valence‐sum (BVS) calculations. The correlation between the X‐ray refinement and the validation results is discussed.</p></abstract></abstractGroup></contentMeta></header></component></istex:document></istex:metadataXml><mods version="3.6"><titleInfo lang="en"><title>The novel arsenate Na4Co7−xAl2/3x(AsO4)6 (x = 1.37): crystal structure, charge‐distribution and bond‐valence‐sum investigations</title></titleInfo><titleInfo type="abbreviated" lang="en"><title>Na4Co5.63Al0.91(AsO4)6</title></titleInfo><titleInfo type="alternative" contentType="CDATA" lang="en"><title>The novel arsenate Na4Co7−xAl2/3x(AsO4)6 (x = 1.37): crystal structure, charge‐distribution and bond‐valence‐sum investigations</title></titleInfo><name type="personal"><namePart type="given">Riadh</namePart><namePart type="family">Marzouki</namePart><role><roleTerm type="text">author</roleTerm></role></name><name type="personal"><namePart type="given">Abderrahmen</namePart><namePart type="family">Guesmi</namePart><role><roleTerm type="text">author</roleTerm></role></name><name type="personal"><namePart type="given">Ahmed</namePart><namePart type="family">Driss</namePart><role><roleTerm type="text">author</roleTerm></role></name><typeOfResource>text</typeOfResource><genre type="article" displayLabel="article"></genre><originInfo><publisher>International Union of Crystallography</publisher><place><placeTerm type="text">5 Abbey Square, Chester, Cheshire CH1 2HU, England</placeTerm></place><dateIssued encoding="w3cdtf">2010-10-15</dateIssued><edition>Received 19 August 2010, accepted 17 September 2010</edition><copyrightDate encoding="w3cdtf">2010</copyrightDate></originInfo><language><languageTerm type="code" authority="rfc3066">en</languageTerm><languageTerm type="code" authority="iso639-2b">eng</languageTerm></language><physicalDescription><internetMediaType>text/html</internetMediaType></physicalDescription><abstract lang="en">The title compound, tetrasodium cobalt aluminium hexaarsenate, Na4Co7−xAl2/3x(AsO4)6 (x = 1.37), is isostructural with K4Ni7(AsO4)6; however, in its crystal structure, some of the Co2+ ions are substituted by Al3+ in a fully occupied octahedral site (site symmetry 2/m) and a partially occupied tetrahedral site (site symmetry 2). A third octahedral site is fully occupied by Co2+ ions only. One of the two independent tetrahedral As atoms and two of its attached O atoms reside on a mirror plane, as do two of the three independent Na+ cations, all of which are present at half‐occupancy. The proposed structural model based on a careful investigation of the crystal data is supported by charge‐distribution (CHARDI) analysis and bond‐valence‐sum (BVS) calculations. The correlation between the X‐ray refinement and the validation results is discussed.</abstract><relatedItem type="host"><titleInfo><title>Acta Crystallographica Section C</title></titleInfo><titleInfo type="abbreviated"><title>Acta Cryst. 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