Crystal structure of Na4Co7-x Al0.67x (As1-y P y O4)6 (x = 1.60; y = 0.116).
Identifieur interne : 000007 ( PubMed/Checkpoint ); précédent : 000006; suivant : 000008Crystal structure of Na4Co7-x Al0.67x (As1-y P y O4)6 (x = 1.60; y = 0.116).
Auteurs : Chokri Issaoui [Tunisie] ; Hammouda Chebbi [Tunisie] ; Abderrahmen Guesmi [Tunisie]Source :
- Acta crystallographica. Section E, Crystallographic communications ; 2016.
Abstract
The title compound, tetra-sodium hepta-(cobalt/aluminium) hexa-(arsenate/phosphate), Na4Co5.40Al1.07(As0.883P0.116O4)6, was prepared by a solid-state reaction. It is a new member of the family of isostructural compounds with the general formula A 4 M 7(XO4)6 (A: Na, K; M: Ni, Co; X: P, As) that is most similar to Na4Co5.63Al0.91(AsO4)6. The Co(2+) ions in the title compound are substituted by Al(3+) in a fully occupied octa-hedral site (site symmetry 2/m) and a partially occupied tetra-hedral site (site symmetry 2). A third octa-hedral site is fully occupied by Co(2+) ions only. With regard to the P and As atoms, one site (site symmetry m) is simultaneously occupied by As and P, whereas in the second site there is only arsenic. The alkali cations are, as in the isostructural compounds, distributed over half-occupied crystallographic sites, with a positional disorder of one of them. The proposed structural model is based both on a careful investigation of the crystal data, as well as validation by means of bond-valence-sum (BVS) and charge-distribution (CHARDI) calculations. The correlation between the X-ray refinement and the validation results is discussed.
DOI: 10.1107/S205698901600400X
PubMed: 27375873
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Université de Tunis, Institut Préparatoire aux Etudes d'Ingénieurs de Tunis, Rue Jawaher Lel Nehru, 1089 Montfleury, Tunis, Tunisia.</nlm:affiliation><country xml:lang="fr">Tunisie</country><wicri:regionArea>Université de Tunis El Manar, Faculté des Sciences, Laboratoire de Matériaux, Cristallochimie et Thermodynamique Appliquée, El Manar II, 2092 Tunis, Tunisia; Université de Tunis, Institut Préparatoire aux Etudes d'Ingénieurs de Tunis, Rue Jawaher Lel Nehru, 1089 Montfleury, Tunis</wicri:regionArea><placeName><settlement type="city">Tunis</settlement><region nuts="2">Gouvernorat de Tunis</region></placeName><orgName type="university">Université de Tunis - El Manar</orgName></affiliation></author><author><name sortKey="Guesmi, Abderrahmen" sort="Guesmi, Abderrahmen" uniqKey="Guesmi A" first="Abderrahmen" last="Guesmi">Abderrahmen Guesmi</name><affiliation wicri:level="4"><nlm:affiliation>Université de Tunis El Manar, Faculté des Sciences, Laboratoire de Matériaux, Cristallochimie et Thermodynamique Appliquée, El Manar II, 2092 Tunis, Tunisia; Al-Baha University, Faculty of Sciences and Arts in Al Mukhwah, Al Mukhwah, Al Baha Region, Kingdom of Saudi Arabia.</nlm:affiliation><orgName type="university">Université de Tunis - El Manar</orgName><country>Tunisie</country><placeName><settlement type="city">Tunis</settlement><region type="region" nuts="2">Gouvernorat de Tunis</region></placeName><placeName><settlement type="city">Tunis</settlement><region type="region" nuts="2">Gouvernorat de Tunis</region></placeName><orgName type="university" n="3">Université de Tunis - El Manar</orgName></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PubMed</idno><date when="2016">2016</date><idno type="RBID">pubmed:27375873</idno><idno type="pmid">27375873</idno><idno type="doi">10.1107/S205698901600400X</idno><idno type="wicri:Area/PubMed/Corpus">000003</idno><idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Corpus" wicri:corpus="PubMed">000003</idno><idno type="wicri:Area/PubMed/Curation">000003</idno><idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Curation">000003</idno><idno type="wicri:Area/PubMed/Checkpoint">000003</idno><idno type="wicri:explorRef" wicri:stream="Checkpoint" wicri:step="PubMed">000003</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en">Crystal structure of Na4Co7-x Al0.67x (As1-y P y O4)6 (x = 1.60; y = 0.116).</title><author><name sortKey="Issaoui, Chokri" sort="Issaoui, Chokri" uniqKey="Issaoui C" first="Chokri" last="Issaoui">Chokri Issaoui</name><affiliation wicri:level="4"><nlm:affiliation>Université de Tunis El Manar, Faculté des Sciences, Laboratoire de Matériaux, Cristallochimie et Thermodynamique Appliquée, El Manar II, 2092 Tunis, Tunisia.</nlm:affiliation><country xml:lang="fr">Tunisie</country><wicri:regionArea>Université de Tunis El Manar, Faculté des Sciences, Laboratoire de Matériaux, Cristallochimie et Thermodynamique Appliquée, El Manar II, 2092 Tunis</wicri:regionArea><placeName><settlement type="city">Tunis</settlement><region nuts="2">Gouvernorat de Tunis</region></placeName><orgName type="university">Université de Tunis - El Manar</orgName><placeName><settlement type="city">Tunis</settlement><region type="region" nuts="2">Gouvernorat de Tunis</region></placeName></affiliation></author><author><name sortKey="Chebbi, Hammouda" sort="Chebbi, Hammouda" uniqKey="Chebbi H" first="Hammouda" last="Chebbi">Hammouda Chebbi</name><affiliation wicri:level="4"><nlm:affiliation>Université de Tunis El Manar, Faculté des Sciences, Laboratoire de Matériaux, Cristallochimie et Thermodynamique Appliquée, El Manar II, 2092 Tunis, Tunisia; Université de Tunis, Institut Préparatoire aux Etudes d'Ingénieurs de Tunis, Rue Jawaher Lel Nehru, 1089 Montfleury, Tunis, Tunisia.</nlm:affiliation><country xml:lang="fr">Tunisie</country><wicri:regionArea>Université de Tunis El Manar, Faculté des Sciences, Laboratoire de Matériaux, Cristallochimie et Thermodynamique Appliquée, El Manar II, 2092 Tunis, Tunisia; Université de Tunis, Institut Préparatoire aux Etudes d'Ingénieurs de Tunis, Rue Jawaher Lel Nehru, 1089 Montfleury, Tunis</wicri:regionArea><placeName><settlement type="city">Tunis</settlement><region nuts="2">Gouvernorat de Tunis</region></placeName><orgName type="university">Université de Tunis - El Manar</orgName></affiliation></author><author><name sortKey="Guesmi, Abderrahmen" sort="Guesmi, Abderrahmen" uniqKey="Guesmi A" first="Abderrahmen" last="Guesmi">Abderrahmen Guesmi</name><affiliation wicri:level="4"><nlm:affiliation>Université de Tunis El Manar, Faculté des Sciences, Laboratoire de Matériaux, Cristallochimie et Thermodynamique Appliquée, El Manar II, 2092 Tunis, Tunisia; Al-Baha University, Faculty of Sciences and Arts in Al Mukhwah, Al Mukhwah, Al Baha Region, Kingdom of Saudi Arabia.</nlm:affiliation><orgName type="university">Université de Tunis - El Manar</orgName><country>Tunisie</country><placeName><settlement type="city">Tunis</settlement><region type="region" nuts="2">Gouvernorat de Tunis</region></placeName><placeName><settlement type="city">Tunis</settlement><region type="region" nuts="2">Gouvernorat de Tunis</region></placeName><orgName type="university" n="3">Université de Tunis - El Manar</orgName></affiliation></author></analytic><series><title level="j">Acta crystallographica. Section E, Crystallographic communications</title><imprint><date when="2016" type="published">2016</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">The title compound, tetra-sodium hepta-(cobalt/aluminium) hexa-(arsenate/phosphate), Na4Co5.40Al1.07(As0.883P0.116O4)6, was prepared by a solid-state reaction. It is a new member of the family of isostructural compounds with the general formula A 4 M 7(XO4)6 (A: Na, K; M: Ni, Co; X: P, As) that is most similar to Na4Co5.63Al0.91(AsO4)6. The Co(2+) ions in the title compound are substituted by Al(3+) in a fully occupied octa-hedral site (site symmetry 2/m) and a partially occupied tetra-hedral site (site symmetry 2). A third octa-hedral site is fully occupied by Co(2+) ions only. With regard to the P and As atoms, one site (site symmetry m) is simultaneously occupied by As and P, whereas in the second site there is only arsenic. The alkali cations are, as in the isostructural compounds, distributed over half-occupied crystallographic sites, with a positional disorder of one of them. The proposed structural model is based both on a careful investigation of the crystal data, as well as validation by means of bond-valence-sum (BVS) and charge-distribution (CHARDI) calculations. The correlation between the X-ray refinement and the validation results is discussed.</div></front></TEI><pubmed><MedlineCitation Status="PubMed-not-MEDLINE" Owner="NLM"><PMID Version="1">27375873</PMID><DateCreated><Year>2016</Year><Month>7</Month><Day>4</Day></DateCreated><DateCompleted><Year>2016</Year><Month>07</Month><Day>04</Day></DateCompleted><DateRevised><Year>2016</Year><Month>7</Month><Day>8</Day></DateRevised><Article PubModel="Electronic-eCollection"><Journal><JournalIssue CitedMedium="Print"><Volume>72</Volume><Issue>Pt 4</Issue><PubDate><Year>2016</Year><Month>Apr</Month><Day>1</Day></PubDate></JournalIssue><Title>Acta crystallographica. Section E, Crystallographic communications</Title><ISOAbbreviation>Acta Crystallogr E Crystallogr Commun</ISOAbbreviation></Journal><ArticleTitle>Crystal structure of Na4Co7-x Al0.67x (As1-y P y O4)6 (x = 1.60; y = 0.116).</ArticleTitle><Pagination><MedlinePgn>495-7</MedlinePgn></Pagination><ELocationID EIdType="doi" ValidYN="Y">10.1107/S205698901600400X</ELocationID><Abstract><AbstractText>The title compound, tetra-sodium hepta-(cobalt/aluminium) hexa-(arsenate/phosphate), Na4Co5.40Al1.07(As0.883P0.116O4)6, was prepared by a solid-state reaction. It is a new member of the family of isostructural compounds with the general formula A 4 M 7(XO4)6 (A: Na, K; M: Ni, Co; X: P, As) that is most similar to Na4Co5.63Al0.91(AsO4)6. The Co(2+) ions in the title compound are substituted by Al(3+) in a fully occupied octa-hedral site (site symmetry 2/m) and a partially occupied tetra-hedral site (site symmetry 2). A third octa-hedral site is fully occupied by Co(2+) ions only. With regard to the P and As atoms, one site (site symmetry m) is simultaneously occupied by As and P, whereas in the second site there is only arsenic. The alkali cations are, as in the isostructural compounds, distributed over half-occupied crystallographic sites, with a positional disorder of one of them. The proposed structural model is based both on a careful investigation of the crystal data, as well as validation by means of bond-valence-sum (BVS) and charge-distribution (CHARDI) calculations. The correlation between the X-ray refinement and the validation results is discussed.</AbstractText></Abstract><AuthorList CompleteYN="Y"><Author ValidYN="Y"><LastName>Issaoui</LastName><ForeName>Chokri</ForeName><Initials>C</Initials><AffiliationInfo><Affiliation>Université de Tunis El Manar, Faculté des Sciences, Laboratoire de Matériaux, Cristallochimie et Thermodynamique Appliquée, El Manar II, 2092 Tunis, Tunisia.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Chebbi</LastName><ForeName>Hammouda</ForeName><Initials>H</Initials><AffiliationInfo><Affiliation>Université de Tunis El Manar, Faculté des Sciences, Laboratoire de Matériaux, Cristallochimie et Thermodynamique Appliquée, El Manar II, 2092 Tunis, Tunisia; Université de Tunis, Institut Préparatoire aux Etudes d'Ingénieurs de Tunis, Rue Jawaher Lel Nehru, 1089 Montfleury, Tunis, Tunisia.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Guesmi</LastName><ForeName>Abderrahmen</ForeName><Initials>A</Initials><AffiliationInfo><Affiliation>Université de Tunis El Manar, Faculté des Sciences, Laboratoire de Matériaux, Cristallochimie et Thermodynamique Appliquée, El Manar II, 2092 Tunis, Tunisia; Al-Baha University, Faculty of Sciences and Arts in Al Mukhwah, Al Mukhwah, Al Baha Region, Kingdom of Saudi Arabia.</Affiliation></AffiliationInfo></Author></AuthorList><Language>ENG</Language><PublicationTypeList><PublicationType UI="D016428">Journal Article</PublicationType></PublicationTypeList><ArticleDate DateType="Electronic"><Year>2016</Year><Month>Mar</Month><Day>15</Day></ArticleDate></Article><MedlineJournalInfo><Country>England</Country><MedlineTA>Acta Crystallogr E Crystallogr Commun</MedlineTA><NlmUniqueID>101648987</NlmUniqueID></MedlineJournalInfo><OtherID Source="NLM">PMC4910343</OtherID><KeywordList Owner="NOTNLM"><Keyword MajorTopicYN="N">Na4Co5.40Al1.07(As0.883P0.116O4)6</Keyword><Keyword MajorTopicYN="N">bond-valence sum</Keyword><Keyword MajorTopicYN="N">charge distribution</Keyword><Keyword MajorTopicYN="N">crystal structure</Keyword></KeywordList></MedlineCitation><PubmedData><History><PubMedPubDate PubStatus="received"><Year>2016</Year><Month>3</Month><Day>03</Day></PubMedPubDate><PubMedPubDate PubStatus="accepted"><Year>2016</Year><Month>3</Month><Day>09</Day></PubMedPubDate><PubMedPubDate PubStatus="entrez"><Year>2016</Year><Month>7</Month><Day>5</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="pubmed"><Year>2016</Year><Month>7</Month><Day>5</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="medline"><Year>2016</Year><Month>7</Month><Day>5</Day><Hour>6</Hour><Minute>1</Minute></PubMedPubDate></History><PublicationStatus>epublish</PublicationStatus><ArticleIdList><ArticleId IdType="pubmed">27375873</ArticleId><ArticleId IdType="doi">10.1107/S205698901600400X</ArticleId><ArticleId IdType="pii">br2258</ArticleId><ArticleId IdType="pmc">PMC4910343</ArticleId></ArticleIdList></PubmedData></pubmed><affiliations><list><country><li>Tunisie</li></country><region><li>Gouvernorat de Tunis</li></region><settlement><li>Tunis</li></settlement><orgName><li>Université de Tunis - El Manar</li></orgName></list><tree><country name="Tunisie"><region name="Gouvernorat de Tunis"><name sortKey="Issaoui, Chokri" sort="Issaoui, Chokri" uniqKey="Issaoui C" first="Chokri" last="Issaoui">Chokri Issaoui</name></region><name sortKey="Chebbi, Hammouda" sort="Chebbi, Hammouda" uniqKey="Chebbi H" first="Hammouda" last="Chebbi">Hammouda Chebbi</name><name sortKey="Guesmi, Abderrahmen" sort="Guesmi, Abderrahmen" uniqKey="Guesmi A" first="Abderrahmen" last="Guesmi">Abderrahmen Guesmi</name></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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