The novel arsenate Na4Co(7-x)Al(2/3x)(AsO4)6 (x = 1.37): crystal structure, charge-distribution and bond-valence-sum investigations.
Identifieur interne : 000139 ( Ncbi/Merge ); précédent : 000138; suivant : 000140The novel arsenate Na4Co(7-x)Al(2/3x)(AsO4)6 (x = 1.37): crystal structure, charge-distribution and bond-valence-sum investigations.
Auteurs : Riadh Marzouki [Tunisie] ; Abderrahmen Guesmi [Tunisie] ; Ahmed DrissSource :
- Acta crystallographica. Section C, Crystal structure communications [ 1600-5759 ] ; 2010.
Abstract
The title compound, tetrasodium cobalt aluminium hexaarsenate, Na(4)Co(7-x)Al(2/3x)(AsO(4))(6) (x = 1.37), is isostructural with K(4)Ni(7)(AsO(4))(6); however, in its crystal structure, some of the Co(2+) ions are substituted by Al(3+) 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 Co(2+) 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.
DOI: 10.1107/S0108270110037376
PubMed: 20921600
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Section C, Crystal structure communications</title><idno type="eISSN">1600-5759</idno><imprint><date when="2010" type="published">2010</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">The title compound, tetrasodium cobalt aluminium hexaarsenate, Na(4)Co(7-x)Al(2/3x)(AsO(4))(6) (x = 1.37), is isostructural with K(4)Ni(7)(AsO(4))(6); however, in its crystal structure, some of the Co(2+) ions are substituted by Al(3+) 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 Co(2+) 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.</div></front></TEI><pubmed><MedlineCitation Status="PubMed-not-MEDLINE" Owner="NLM"><PMID Version="1">20921600</PMID><DateCreated><Year>2010</Year><Month>10</Month><Day>5</Day></DateCreated><DateCompleted><Year>2010</Year><Month>12</Month><Day>21</Day></DateCompleted><DateRevised><Year>2010</Year><Month>10</Month><Day>5</Day></DateRevised><Article PubModel="Print-Electronic"><Journal><ISSN IssnType="Electronic">1600-5759</ISSN><JournalIssue CitedMedium="Internet"><Volume>66</Volume><Issue>Pt 10</Issue><PubDate><Year>2010</Year><Month>Oct</Month></PubDate></JournalIssue><Title>Acta crystallographica. Section C, Crystal structure communications</Title><ISOAbbreviation>Acta Crystallogr C</ISOAbbreviation></Journal><ArticleTitle>The novel arsenate Na4Co(7-x)Al(2/3x)(AsO4)6 (x = 1.37): crystal structure, charge-distribution and bond-valence-sum investigations.</ArticleTitle><Pagination><MedlinePgn>i95-8</MedlinePgn></Pagination><ELocationID EIdType="doi" ValidYN="Y">10.1107/S0108270110037376</ELocationID><Abstract><AbstractText>The title compound, tetrasodium cobalt aluminium hexaarsenate, Na(4)Co(7-x)Al(2/3x)(AsO(4))(6) (x = 1.37), is isostructural with K(4)Ni(7)(AsO(4))(6); however, in its crystal structure, some of the Co(2+) ions are substituted by Al(3+) 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 Co(2+) 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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