Na3Co2(AsO4)(As2O7): a new sodium cobalt arsenate
Identifieur interne : 000239 ( Pmc/Checkpoint ); précédent : 000238; suivant : 000240Na3Co2(AsO4)(As2O7): a new sodium cobalt arsenate
Auteurs : Abderrahmen Guesmi [Tunisie] ; Ahmed Driss [Tunisie]Source :
- Acta Crystallographica Section E: Structure Reports Online [ 1600-5368 ] ; 2012.
Abstract
In the title compound, trisodium dicobalt arsenate diarsenate, Na3Co2AsO4As2O7, the two Co atoms, one of the two As and three of the seven O atoms lie on special positions, with site symmetries 2 and
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DOI: 10.1107/S1600536812027791
PubMed: 22807699
PubMed Central: 3393142
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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Na<sub>3</sub>Co<sub>2</sub>(AsO<sub>4</sub>)(As<sub>2</sub>O<sub>7</sub>): a new sodium cobalt arsenate</title><author><name sortKey="Guesmi, Abderrahmen" sort="Guesmi, Abderrahmen" uniqKey="Guesmi A" first="Abderrahmen" last="Guesmi">Abderrahmen Guesmi</name><affiliation wicri:level="1"><nlm:aff id="a">Laboratoire de Matériaux et Cristallochimie, Faculté des Sciences, El Manar II, 2092 Tunis,<country>Tunisia</country></nlm:aff><country xml:lang="fr">Tunisie</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea><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><affiliation wicri:level="1"><nlm:aff id="b">Institut Préparatoire aux Etudes d’Ingénieurs d’El Manar, BP 244 El Manar II, 2092 Tunis,<country>Tunisia</country></nlm:aff><country xml:lang="fr">Tunisie</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea><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><author><name sortKey="Driss, Ahmed" sort="Driss, Ahmed" uniqKey="Driss A" first="Ahmed" last="Driss">Ahmed Driss</name><affiliation wicri:level="1"><nlm:aff id="a">Laboratoire de Matériaux et Cristallochimie, Faculté des Sciences, El Manar II, 2092 Tunis,<country>Tunisia</country></nlm:aff><country xml:lang="fr">Tunisie</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PMC</idno><idno type="pmid">22807699</idno><idno type="pmc">3393142</idno><idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393142</idno><idno type="RBID">PMC:3393142</idno><idno type="doi">10.1107/S1600536812027791</idno><date when="2012">2012</date><idno type="wicri:Area/Pmc/Corpus">000355</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000355</idno><idno type="wicri:Area/Pmc/Curation">000354</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Curation">000354</idno><idno type="wicri:Area/Pmc/Checkpoint">000239</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Checkpoint">000239</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">Na<sub>3</sub>Co<sub>2</sub>(AsO<sub>4</sub>)(As<sub>2</sub>O<sub>7</sub>): a new sodium cobalt arsenate</title><author><name sortKey="Guesmi, Abderrahmen" sort="Guesmi, Abderrahmen" uniqKey="Guesmi A" first="Abderrahmen" last="Guesmi">Abderrahmen Guesmi</name><affiliation wicri:level="1"><nlm:aff id="a">Laboratoire de Matériaux et Cristallochimie, Faculté des Sciences, El Manar II, 2092 Tunis,<country>Tunisia</country></nlm:aff><country xml:lang="fr">Tunisie</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea><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><affiliation wicri:level="1"><nlm:aff id="b">Institut Préparatoire aux Etudes d’Ingénieurs d’El Manar, BP 244 El Manar II, 2092 Tunis,<country>Tunisia</country></nlm:aff><country xml:lang="fr">Tunisie</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea><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><author><name sortKey="Driss, Ahmed" sort="Driss, Ahmed" uniqKey="Driss A" first="Ahmed" last="Driss">Ahmed Driss</name><affiliation wicri:level="1"><nlm:aff id="a">Laboratoire de Matériaux et Cristallochimie, Faculté des Sciences, El Manar II, 2092 Tunis,<country>Tunisia</country></nlm:aff><country xml:lang="fr">Tunisie</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author></analytic><series><title level="j">Acta Crystallographica Section E: Structure Reports Online</title><idno type="eISSN">1600-5368</idno><imprint><date when="2012">2012</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p>In the title compound, trisodium dicobalt arsenate diarsenate, Na<sub>3</sub>Co<sub>2</sub>AsO<sub>4</sub>As<sub>2</sub>O<sub>7</sub>, the two Co atoms, one of the two As and three of the seven O atoms lie on special positions, with site symmetries 2 and <italic>m</italic> for the Co, <italic>m</italic> for the As, and 2 and twice <italic>m</italic> for the O atoms. The two Na atoms are disordered over two general and special positions [occupancies 0.72 (3):0.28 (3) and 0.940 (6):0.060 (6), respectively]. The main structural feature is the association of the CoO<sub>6</sub> octahedra in the <italic>ab</italic> plane, forming Co<sub>4</sub>O<sub>20</sub> units, which are corner- and edge-connected <italic>via</italic> AsO<sub>4</sub> and As<sub>2</sub>O<sub>7</sub> arsenate groups, giving rise to a complex polyhedral connectivity with small tunnels, such as those running along the <italic>b</italic>- and <italic>c</italic>-axis directions, in which the Na<sup>+</sup> ions reside. The structural model is validated by both bond-valence-sum and charge-distribution methods, and the distortion of the coordination polyhedra is analyzed by means of the effective coordination number.</p></div></front><back><div1 type="bibliography"><listBibl><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct></listBibl></div1></back></TEI><pmc article-type="research-article"><pmc-dir>properties open_access</pmc-dir>
<front><journal-meta><journal-id journal-id-type="nlm-ta">Acta Crystallogr Sect E Struct Rep Online</journal-id><journal-id journal-id-type="iso-abbrev">Acta Crystallogr Sect E Struct Rep Online</journal-id><journal-id journal-id-type="publisher-id">Acta Cryst. E</journal-id><journal-title-group><journal-title>Acta Crystallographica Section E: Structure Reports Online</journal-title></journal-title-group><issn pub-type="epub">1600-5368</issn><publisher><publisher-name>International Union of Crystallography</publisher-name></publisher></journal-meta><article-meta><article-id pub-id-type="pmid">22807699</article-id><article-id pub-id-type="pmc">3393142</article-id><article-id pub-id-type="publisher-id">jj2142</article-id><article-id pub-id-type="doi">10.1107/S1600536812027791</article-id><article-id pub-id-type="coden">ACSEBH</article-id><article-id pub-id-type="pii">S1600536812027791</article-id><article-categories><subj-group subj-group-type="heading"><subject>Inorganic Papers</subject></subj-group></article-categories><title-group><article-title>Na<sub>3</sub>Co<sub>2</sub>(AsO<sub>4</sub>)(As<sub>2</sub>O<sub>7</sub>): a new sodium cobalt arsenate</article-title><alt-title><italic>Na<sub>3</sub>Co<sub>2</sub>(AsO<sub>4</sub>)(As<sub>2</sub>O<sub>7</sub>)</italic></alt-title></title-group><contrib-group><contrib contrib-type="author"><name><surname>Guesmi</surname><given-names>Abderrahmen</given-names></name><xref ref-type="aff" rid="a">a</xref><xref ref-type="aff" rid="b">b</xref><xref ref-type="corresp" rid="cor">*</xref></contrib><contrib contrib-type="author"><name><surname>Driss</surname><given-names>Ahmed</given-names></name><xref ref-type="aff" rid="a">a</xref></contrib><aff id="a"><label>a</label>Laboratoire de Matériaux et Cristallochimie, Faculté des Sciences, El Manar II, 2092 Tunis,<country>Tunisia</country></aff><aff id="b"><label>b</label>Institut Préparatoire aux Etudes d’Ingénieurs d’El Manar, BP 244 El Manar II, 2092 Tunis,<country>Tunisia</country></aff></contrib-group><author-notes><corresp id="cor">Correspondence e-mail: <email>abderrahmen.guesmi@ipeim.rnu.tn</email></corresp></author-notes><pub-date pub-type="collection"><day>01</day><month>7</month><year>2012</year></pub-date><pub-date pub-type="epub"><day>27</day><month>6</month><year>2012</year></pub-date><pub-date pub-type="pmc-release"><day>27</day><month>6</month><year>2012</year></pub-date><pmc-comment> PMC Release delay is 0 months and 0 days and was based on the
<volume>68</volume><issue>Pt 7</issue><issue-id pub-id-type="publisher-id">e120700</issue-id><fpage>i58</fpage><lpage>i58</lpage><history><date date-type="received"><day>28</day><month>5</month><year>2012</year></date><date date-type="accepted"><day>19</day><month>6</month><year>2012</year></date></history><permissions><copyright-statement>© Guesmi and Driss 2012</copyright-statement><copyright-year>2012</copyright-year><license license-type="open-access" xlink:href="http://creativecommons.org/licenses/by/2.0/uk/"><license-p>This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.</license-p></license></permissions><self-uri xlink:type="simple" xlink:href="http://dx.doi.org/10.1107/S1600536812027791">A full version of this article is available from Crystallography Journals Online.</self-uri><abstract><p>In the title compound, trisodium dicobalt arsenate diarsenate, Na<sub>3</sub>Co<sub>2</sub>AsO<sub>4</sub>As<sub>2</sub>O<sub>7</sub>, the two Co atoms, one of the two As and three of the seven O atoms lie on special positions, with site symmetries 2 and <italic>m</italic> for the Co, <italic>m</italic> for the As, and 2 and twice <italic>m</italic> for the O atoms. The two Na atoms are disordered over two general and special positions [occupancies 0.72 (3):0.28 (3) and 0.940 (6):0.060 (6), respectively]. The main structural feature is the association of the CoO<sub>6</sub> octahedra in the <italic>ab</italic> plane, forming Co<sub>4</sub>O<sub>20</sub> units, which are corner- and edge-connected <italic>via</italic> AsO<sub>4</sub> and As<sub>2</sub>O<sub>7</sub> arsenate groups, giving rise to a complex polyhedral connectivity with small tunnels, such as those running along the <italic>b</italic>- and <italic>c</italic>-axis directions, in which the Na<sup>+</sup> ions reside. The structural model is validated by both bond-valence-sum and charge-distribution methods, and the distortion of the coordination polyhedra is analyzed by means of the effective coordination number.</p></abstract></article-meta></front><floats-group><table-wrap id="table1" position="float"><label>Table 1</label><caption><title>Bond-valence-sum and charge distribution analysis</title></caption><table frame="hsides" rules="groups"><thead valign="bottom"><tr><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom">Cation</th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>q</italic>(<italic>i</italic>)·<italic>sof</italic>(<italic>i</italic>)</th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>V</italic>(<italic>i</italic>)</th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>Q</italic>(<italic>i</italic>)</th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom">CN(<italic>i</italic>)</th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom">ECoN(<italic>i</italic>)</th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>d</italic><sub>moy</sub>(<italic>i</italic>)</th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>d</italic><sub>med</sub>(<italic>i</italic>)</th></tr></thead><tbody valign="top"><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Co1</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.00</td><td style="" rowspan="1" colspan="1" align="left" valign="top">1.87</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.01</td><td style="" rowspan="1" colspan="1" align="left" valign="top">6</td><td style="" rowspan="1" colspan="1" align="left" valign="top">5.97</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.14</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.14</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Co2</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.00</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.05</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.03</td><td style="" rowspan="1" colspan="1" align="left" valign="top">6</td><td style="" rowspan="1" colspan="1" align="left" valign="top">5.62</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.11</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.08</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">As1</td><td style="" rowspan="1" colspan="1" align="left" valign="top">5.00</td><td style="" rowspan="1" colspan="1" align="left" valign="top">4.99</td><td style="" rowspan="1" colspan="1" align="left" valign="top">5.13</td><td style="" rowspan="1" colspan="1" align="left" valign="top">4</td><td style="" rowspan="1" colspan="1" align="left" valign="top">3.99</td><td style="" rowspan="1" colspan="1" align="left" valign="top">1.69</td><td style="" rowspan="1" colspan="1" align="left" valign="top">1.69</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">As2</td><td style="" rowspan="1" colspan="1" align="left" valign="top">5.00</td><td style="" rowspan="1" colspan="1" align="left" valign="top">4.93</td><td style="" rowspan="1" colspan="1" align="left" valign="top">4.94</td><td style="" rowspan="1" colspan="1" align="left" valign="top">4</td><td style="" rowspan="1" colspan="1" align="left" valign="top">3.89</td><td style="" rowspan="1" colspan="1" align="left" valign="top">1.70</td><td style="" rowspan="1" colspan="1" align="left" valign="top">1.69</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Na1<italic>A</italic></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.72</td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.65</td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.72</td><td style="" rowspan="1" colspan="1" align="left" valign="top">8</td><td style="" rowspan="1" colspan="1" align="left" valign="top">7.33</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.67</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.63</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Na1<italic>B</italic></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.28</td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.25</td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.27</td><td style="" rowspan="1" colspan="1" align="left" valign="top">8</td><td style="" rowspan="1" colspan="1" align="left" valign="top">5.72</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.74</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.58</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Na2<italic>A</italic></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.94</td><td style="" rowspan="1" colspan="1" align="left" valign="top">1.02</td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.92</td><td style="" rowspan="1" colspan="1" align="left" valign="top">7</td><td style="" rowspan="1" colspan="1" align="left" valign="top">5.52</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.58</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.45</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Na2<italic>B</italic></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.06</td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.07</td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.06</td><td style="" rowspan="1" colspan="1" align="left" valign="top">6</td><td style="" rowspan="1" colspan="1" align="left" valign="top">4.78</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.45</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.31</td></tr></tbody></table><table-wrap-foot><p><italic>q</italic>(<italic>i</italic>) = formal oxidation number; <italic>sof</italic>(<italic>i</italic>) = site occupation factor; <italic>d</italic><sub>moy</sub>(<italic>i</italic>) = arithmetic average distance (Å); <italic>d</italic><sub>med</sub>(<italic>i</italic>) = weighted average distance (Å); sodium CNS for <italic>d</italic>(Na—O)<sub>max</sub> = 3.10 Å; σ<sub>cat</sub> = dispersion factor on cationic charges measuring the deviation of the computed charges (<italic>Q</italic>) with respect to the formal oxidation numbers; σ<sub>cat</sub> = [Σ<sub><italic>i</italic></sub>(<italic>q</italic><sub><italic>i</italic></sub>−<italic>Q</italic><sub><italic>i</italic></sub>)<sup>2</sup>/<italic>N</italic>−1]<sup>1/2</sup> = 0.055.</p></table-wrap-foot></table-wrap></floats-group></pmc><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="Guesmi, Abderrahmen" sort="Guesmi, Abderrahmen" uniqKey="Guesmi A" first="Abderrahmen" last="Guesmi">Abderrahmen Guesmi</name></region><name sortKey="Driss, Ahmed" sort="Driss, Ahmed" uniqKey="Driss A" first="Ahmed" last="Driss">Ahmed Driss</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 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