Crystal structure of Na4Co7−xAl0.67x(As1−yPyO4)6 (x = 1.60; y = 0.116)
Identifieur interne : 000056 ( Pmc/Corpus ); précédent : 000055; suivant : 000057Crystal structure of Na4Co7−xAl0.67x(As1−yPyO4)6 (x = 1.60; y = 0.116)
Auteurs : Chokri Issaoui ; Hammouda Chebbi ; Abderrahmen GuesmiSource :
- Acta Crystallographica Section E: Crystallographic Communications [ 2056-9890 ] ; 2016.
Abstract
Tetrasodium hepta(cobalt/aluminium) hexa(arsenate/phosphate) is a new member of the isostructural family of compounds with the general formula
Url:
DOI: 10.1107/S205698901600400X
PubMed: 27375873
PubMed Central: 4910343
Links to Exploration step
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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Crystal structure of Na<sub>4</sub>Co<sub>7−<italic>x</italic></sub>Al<sub>0.67<italic>x</italic></sub>(As<sub>1−<italic>y</italic></sub>P<sub><italic>y</italic></sub>O<sub>4</sub>)<sub>6</sub> (<italic>x</italic> = 1.60; <italic>y</italic> = 0.116)</title><author><name sortKey="Issaoui, Chokri" sort="Issaoui, Chokri" uniqKey="Issaoui C" first="Chokri" last="Issaoui">Chokri Issaoui</name><affiliation><nlm:aff id="a">Université de Tunis El Manar, Faculté des Sciences, Laboratoire de Matériaux, Cristallochimie et Thermodynamique Appliquée, El Manar II, 2092 Tunis,<country>Tunisia</country></nlm:aff></affiliation></author><author><name sortKey="Chebbi, Hammouda" sort="Chebbi, Hammouda" uniqKey="Chebbi H" first="Hammouda" last="Chebbi">Hammouda Chebbi</name><affiliation><nlm:aff id="a">Université de Tunis El Manar, Faculté des Sciences, Laboratoire de Matériaux, Cristallochimie et Thermodynamique Appliquée, El Manar II, 2092 Tunis,<country>Tunisia</country></nlm:aff></affiliation><affiliation><nlm:aff id="b">Université de Tunis, Institut Préparatoire aux Etudes d’Ingénieurs de Tunis, Rue Jawaher Lel Nehru, 1089 Montfleury, Tunis,<country>Tunisia</country></nlm:aff></affiliation></author><author><name sortKey="Guesmi, Abderrahmen" sort="Guesmi, Abderrahmen" uniqKey="Guesmi A" first="Abderrahmen" last="Guesmi">Abderrahmen Guesmi</name><affiliation><nlm:aff id="a">Université de Tunis El Manar, Faculté des Sciences, Laboratoire de Matériaux, Cristallochimie et Thermodynamique Appliquée, El Manar II, 2092 Tunis,<country>Tunisia</country></nlm:aff></affiliation><affiliation><nlm:aff id="c">Al-Baha University, Faculty of Sciences and Arts in Al Mukhwah, Al Mukhwah, Al Baha Region, Kingdom of<country>Saudi Arabia</country></nlm:aff></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PMC</idno><idno type="pmid">27375873</idno><idno type="pmc">4910343</idno><idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4910343</idno><idno type="RBID">PMC:4910343</idno><idno type="doi">10.1107/S205698901600400X</idno><date when="2016">2016</date><idno type="wicri:Area/Pmc/Corpus">000056</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000056</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">Crystal structure of Na<sub>4</sub>Co<sub>7−<italic>x</italic></sub>Al<sub>0.67<italic>x</italic></sub>(As<sub>1−<italic>y</italic></sub>P<sub><italic>y</italic></sub>O<sub>4</sub>)<sub>6</sub> (<italic>x</italic> = 1.60; <italic>y</italic> = 0.116)</title><author><name sortKey="Issaoui, Chokri" sort="Issaoui, Chokri" uniqKey="Issaoui C" first="Chokri" last="Issaoui">Chokri Issaoui</name><affiliation><nlm:aff id="a">Université de Tunis El Manar, Faculté des Sciences, Laboratoire de Matériaux, Cristallochimie et Thermodynamique Appliquée, El Manar II, 2092 Tunis,<country>Tunisia</country></nlm:aff></affiliation></author><author><name sortKey="Chebbi, Hammouda" sort="Chebbi, Hammouda" uniqKey="Chebbi H" first="Hammouda" last="Chebbi">Hammouda Chebbi</name><affiliation><nlm:aff id="a">Université de Tunis El Manar, Faculté des Sciences, Laboratoire de Matériaux, Cristallochimie et Thermodynamique Appliquée, El Manar II, 2092 Tunis,<country>Tunisia</country></nlm:aff></affiliation><affiliation><nlm:aff id="b">Université de Tunis, Institut Préparatoire aux Etudes d’Ingénieurs de Tunis, Rue Jawaher Lel Nehru, 1089 Montfleury, Tunis,<country>Tunisia</country></nlm:aff></affiliation></author><author><name sortKey="Guesmi, Abderrahmen" sort="Guesmi, Abderrahmen" uniqKey="Guesmi A" first="Abderrahmen" last="Guesmi">Abderrahmen Guesmi</name><affiliation><nlm:aff id="a">Université de Tunis El Manar, Faculté des Sciences, Laboratoire de Matériaux, Cristallochimie et Thermodynamique Appliquée, El Manar II, 2092 Tunis,<country>Tunisia</country></nlm:aff></affiliation><affiliation><nlm:aff id="c">Al-Baha University, Faculty of Sciences and Arts in Al Mukhwah, Al Mukhwah, Al Baha Region, Kingdom of<country>Saudi Arabia</country></nlm:aff></affiliation></author></analytic><series><title level="j">Acta Crystallographica Section E: Crystallographic Communications</title><idno type="eISSN">2056-9890</idno><imprint><date when="2016">2016</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p>Tetrasodium hepta(cobalt/aluminium) hexa(arsenate/phosphate) is a new member of the isostructural family of compounds with the general formula <italic>A</italic><sub>4</sub><italic>M</italic><sub>7</sub>(<italic>X</italic>O<sub>4</sub>)<sub>6</sub> (<italic>A</italic>: Na, K; <italic>M</italic>: Ni, Co; <italic>X</italic>: P, As). The proposed structural model is based both on a careful investigation of the crystal data, as well as validation tools by means of bond-valence-sum (BVS) and charge-distribution (CHARDI) calculations.</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><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 E Crystallogr Commun</journal-id><journal-id journal-id-type="iso-abbrev">Acta Crystallogr E Crystallogr Commun</journal-id><journal-id journal-id-type="publisher-id">Acta Cryst. E</journal-id><journal-title-group><journal-title>Acta Crystallographica Section E: Crystallographic Communications</journal-title></journal-title-group><issn pub-type="epub">2056-9890</issn><publisher><publisher-name>International Union of Crystallography</publisher-name></publisher></journal-meta><article-meta><article-id pub-id-type="pmid">27375873</article-id><article-id pub-id-type="pmc">4910343</article-id><article-id pub-id-type="publisher-id">br2258</article-id><article-id pub-id-type="doi">10.1107/S205698901600400X</article-id><article-id pub-id-type="coden">ACSECI</article-id><article-id pub-id-type="pii">S205698901600400X</article-id><article-categories><subj-group subj-group-type="heading"><subject>Research Communications</subject></subj-group></article-categories><title-group><article-title>Crystal structure of Na<sub>4</sub>Co<sub>7−<italic>x</italic></sub>Al<sub>0.67<italic>x</italic></sub>(As<sub>1−<italic>y</italic></sub>P<sub><italic>y</italic></sub>O<sub>4</sub>)<sub>6</sub> (<italic>x</italic> = 1.60; <italic>y</italic> = 0.116)</article-title><alt-title><italic>Na<sub>4</sub>Co<sub>5.40</sub>Al<sub>1.07</sub>(As<sub>0.883</sub>P<sub>0.116</sub>O<sub>4</sub>)<sub>6</sub></italic></alt-title></title-group><contrib-group><contrib contrib-type="author"><name><surname>Issaoui</surname><given-names>Chokri</given-names></name><xref ref-type="aff" rid="a">a</xref></contrib><contrib contrib-type="author"><name><surname>Chebbi</surname><given-names>Hammouda</given-names></name><xref ref-type="aff" rid="a">a</xref><xref ref-type="aff" rid="b">b</xref></contrib><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="c">c</xref><xref ref-type="corresp" rid="cor">*</xref></contrib><aff id="a"><label>a</label>Université de Tunis El Manar, Faculté des Sciences, Laboratoire de Matériaux, Cristallochimie et Thermodynamique Appliquée, El Manar II, 2092 Tunis,<country>Tunisia</country></aff><aff id="b"><label>b</label>Université de Tunis, Institut Préparatoire aux Etudes d’Ingénieurs de Tunis, Rue Jawaher Lel Nehru, 1089 Montfleury, Tunis,<country>Tunisia</country></aff><aff id="c"><label>c</label>Al-Baha University, Faculty of Sciences and Arts in Al Mukhwah, Al Mukhwah, Al Baha Region, Kingdom of<country>Saudi Arabia</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>4</month><year>2016</year></pub-date><pub-date pub-type="epub"><day>15</day><month>3</month><year>2016</year></pub-date><pub-date pub-type="pmc-release"><day>15</day><month>3</month><year>2016</year></pub-date><pmc-comment> PMC Release delay is 0 months and 0 days and was based on the
<volume>72</volume><issue>Pt 4</issue><issue-id pub-id-type="publisher-id">e160400</issue-id><fpage>495</fpage><lpage>497</lpage><history><date date-type="received"><day>03</day><month>3</month><year>2016</year></date><date date-type="accepted"><day>09</day><month>3</month><year>2016</year></date></history><permissions><copyright-statement>© Issaoui et al. 2016</copyright-statement><copyright-year>2016</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/S205698901600400X">A full version of this article is available from Crystallography Journals Online.</self-uri><abstract abstract-type="toc"><p>Tetrasodium hepta(cobalt/aluminium) hexa(arsenate/phosphate) is a new member of the isostructural family of compounds with the general formula <italic>A</italic><sub>4</sub><italic>M</italic><sub>7</sub>(<italic>X</italic>O<sub>4</sub>)<sub>6</sub> (<italic>A</italic>: Na, K; <italic>M</italic>: Ni, Co; <italic>X</italic>: P, As). The proposed structural model is based both on a careful investigation of the crystal data, as well as validation tools by means of bond-valence-sum (BVS) and charge-distribution (CHARDI) calculations.</p></abstract><abstract><p>The title compound, tetrasodium hepta(cobalt/aluminium) hexa(arsenate/phosphate), Na<sub>4</sub>Co<sub>5.40</sub>Al<sub>1.07</sub>(As<sub>0.883</sub>P<sub>0.116</sub>O<sub>4</sub>)<sub>6</sub>, was prepared by a solid-state reaction. It is a new member of the family of isostructural compounds with the general formula <italic>A</italic><sub>4</sub><italic>M</italic><sub>7</sub>(<italic>X</italic>O<sub>4</sub>)<sub>6</sub> (<italic>A</italic>: Na, K; <italic>M</italic>: Ni, Co; <italic>X</italic>: P, As) that is most similar to Na<sub>4</sub>Co<sub>5.63</sub>Al<sub>0.91</sub>(AsO<sub>4</sub>)<sub>6</sub>. The Co<sup>2+</sup> ions in the title compound are substituted by Al<sup>3+</sup> in a fully occupied octahedral site (site symmetry 2/<italic>m</italic>) and a partially occupied tetrahedral site (site symmetry 2). A third octahedral site is fully occupied by Co<sup>2+</sup> ions only. With regard to the P and As atoms, one site (site symmetry <italic>m</italic>) 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.</p></abstract><kwd-group><kwd>crystal structure</kwd><kwd>Na<sub>4</sub>Co<sub>5.40</sub>Al<sub>1.07</sub>(As<sub>0.883</sub>P<sub>0.116</sub>O<sub>4</sub>)<sub>6</sub></kwd><kwd>bond-valence sum</kwd><kwd>charge distribution</kwd></kwd-group></article-meta></front><body><sec id="sec1"><title>Chemical context </title><p>Metal-substituted aluminophosphates and aluminoarsenates form an important group of materials with many interesting properties such as molecular sieves, catalysts, <italic>etc</italic>. Li <italic>et al.</italic> (2012<xref ref-type="bibr" rid="bb12"> ▸</xref>) reported the progress in heteroatom-containing aluminophosphate molecular sieves. With regard to their As homologues, one can cite AlAsO<sub>4</sub>-5 and AlAsO<sub>4</sub>-6, two aluminoarsenates with occluded ethylenediamine (Chen <italic>et al.</italic> 1990<xref ref-type="bibr" rid="bb6"> ▸</xref>). The analogous cobalt compounds, such as ammonium-templated cobalt aluminophosphates with zeolite-like structures (Bontchev & Sevov, 1999<xref ref-type="bibr" rid="bb3"> ▸</xref>), possess similar structural properties.</p><p>The title compound, Na<sub>4</sub>Co<sub>7−<italic>x</italic></sub>Al<sub>0.67<italic>x</italic></sub>(As<sub>1−<italic>y</italic></sub>P<sub><italic>y</italic></sub>O<sub>4</sub>)<sub>6</sub> (<italic>x</italic> = 1.60; <italic>y</italic> = 0.116), was obtained during the exploration of the Na–Co–P–As–O system by solid-state reaction; as for many aluminophosphates, aluminum was incorporated from the reaction container. The chemical composition and crystal structure were determined by energy-dispersive X-ray spectroscopy (EDX) analysis (Fig. 1<xref ref-type="fig" rid="fig1"> ▸</xref>) and single-crystal X-ray diffraction; the proposed structural model is supported by validation tools by means of bond-valence-sum (BVS) calculations and charge-distribution (CHARDI) analysis (Brown, 2002<xref ref-type="bibr" rid="bb5"> ▸</xref>; Adams, 2003<xref ref-type="bibr" rid="bb1"> ▸</xref>, Nespolo, 2015<xref ref-type="bibr" rid="bb17"> ▸</xref>, 2016<xref ref-type="bibr" rid="bb18"> ▸</xref>; Eon & Nespolo, 2015<xref ref-type="bibr" rid="bb8"> ▸</xref>). The correlation between the experimental and the validation results is discussed.</p></sec><sec id="sec2"><title>Structural commentary </title><p>The title compound is a new member of the isostructural compounds family with the general formula <italic>A</italic><sub>4</sub><italic>M</italic><sub>7</sub>(<italic>X</italic>O<sub>4</sub>)<sub>6</sub> (<italic>A</italic>: Na, K; <italic>M</italic>: Ni, Co; <italic>X</italic>: P, As) (Moring & Kostiner, 1986<xref ref-type="bibr" rid="bb16"> ▸</xref>; Kobashi <italic>et al.</italic>, 1998<xref ref-type="bibr" rid="bb11"> ▸</xref>; Ben Smail <italic>et al.</italic>, 1999<xref ref-type="bibr" rid="bb2"> ▸</xref>; Marzouki <italic>et al.</italic>, 2010<xref ref-type="bibr" rid="bb14"> ▸</xref>, 2013<xref ref-type="bibr" rid="bb15"> ▸</xref>).</p><p>The asymmetric unit of the title compound (I) (Fig. 2<xref ref-type="fig" rid="fig2"> ▸</xref>) contains seven metallic sites of which four are occupied by Na<sup>+</sup> cations (occupancies ranging from 0.23 to 0.50) with eight cations per unit cell, two others (denoted <italic>M</italic><sub>A</sub> and <italic>M</italic><sub>B</sub>) are simultaneously shared by Co<sup>2+</sup> and Al<sup>3+</sup> ions, and one is fully occupied by Co<sup>2+</sup> ions: the same distribution is observed in the homologous arsenate Na<sub>4</sub>Co<sub>7−<italic>x</italic></sub>Al<sub>0.67<italic>x</italic></sub>(AsO<sub>4</sub>)<sub>6</sub> (<italic>x</italic> = 1.37) (II) (Marzouki <italic>et al.</italic>, 2010<xref ref-type="bibr" rid="bb14"> ▸</xref>).</p></sec><sec id="sec3"><title>Validation of the structural model using BVS and CHARDI </title><p>Two validation tools, BVS and CHARDI, are used to support and analyse the proposed structural model. Briefly, for a properly refined structure, the valences <italic>V</italic> according to the BVS model and charges <italic>Q</italic> from the CHARDI analysis should agree with the oxidation states of the atoms (Brown, 2002<xref ref-type="bibr" rid="bb5"> ▸</xref>; Adams, 2003<xref ref-type="bibr" rid="bb1"> ▸</xref>, Nespolo, 2015<xref ref-type="bibr" rid="bb17"> ▸</xref>, 2016<xref ref-type="bibr" rid="bb18"> ▸</xref>; Eon & Nespolo, 2015<xref ref-type="bibr" rid="bb8"> ▸</xref>).</p><p>The <italic>M</italic><sub>A</sub> site, with an octahedral environment by oxygen atoms, is fully occupied by the two cations with overall occupancy Co<sub>0.189</sub>Al<sub>0.811</sub>. This distribution scheme is confirmed by the validation tools, with a better convergence with the CHARDI model (Table 1<xref ref-type="table" rid="table1"> ▸</xref>). If compared to the homologous site in (II) with overall occupancy Co<sub>0.286</sub>Al<sub>0.714</sub> (Marzouki <italic>et al.</italic>, 2010<xref ref-type="bibr" rid="bb14"> ▸</xref>), the average arithmetic distance in (I) (1.91 Å) is smaller than in (II) (1.96 Å) due to the higher fraction of the small cation (Al<sup>3+</sup>) in (I).</p><p>For the <italic>M</italic><sub>B</sub> site with a tetrahedral coordination, the Co<sup>2+</sup>/Al<sup>3+</sup> distribution is based on the same observations as in (II), mainly if it is refined as partially occupied by just Co<sup>2+</sup>, the charge neutrality is not achieved, and then a fraction of Al<sup>3+</sup> was introduced in the <italic>M</italic><sub>B</sub> site yielding an overall occupancy distribution of Co<sub>0.605</sub>Al<sub>0.135</sub>□<sub>0.260</sub>, with □ expressing the vacancy. The validation results for this particular distribution are: <italic>V</italic>(<italic>M</italic><sub>B</sub>) = 1.31 and <italic>Q</italic>(<italic>M</italic><sub>B</sub>) = 1.58, the theoretical value is 1.61 (Table 1<xref ref-type="table" rid="table1"> ▸</xref>). Finally, with regard to P and As atoms, the P/As substitutional disorder is observed in one of the two sites (<italic>M</italic><sub>C</sub>): P/As = 0.35/0.65; <italic>V</italic> = 5.21 and <italic>Q</italic> = 5.00.</p><p>The final result corresponds to the formula Na<sub>4</sub>Co<sub>5.40</sub>Al<sub>1.07</sub>(As<sub>0.883</sub>P<sub>0.116</sub>O<sub>4</sub>)<sub>6</sub>. It is the first case in its homologous family which contains such a number of elements. The similarity to (II) (Marzouki <italic>et al.</italic>, 2010<xref ref-type="bibr" rid="bb14"> ▸</xref>) is clear, the cell parameters of (I) are smaller than those of (II) as it contains more small elements than (II). The CHARDI method is extended, as for (II), to analyse the coordination polyhedra by means of the Effective Coordination Numbers (ECoN): the polyhedron distortion is more pronounced if the ECoN deviates more from the classical coordination number (CN).</p><p>The framework of the title compound is of an open character (Fig. 3<xref ref-type="fig" rid="fig3"> ▸</xref>). Its aptitude for sodium conduction through the tunnels appears to be possible, as shown in experimental and theoretical studies for the similar compound (II) (Marzouki <italic>et al.</italic>, 2013<xref ref-type="bibr" rid="bb15"> ▸</xref>). These studies will be the subject of future works.</p></sec><sec id="sec4"><title>Synthesis and crystallization </title><p>A mixture of sodium nitrate, cobalt nitrate hexahydrate, NH<sub>4</sub>H<sub>2</sub><italic>X</italic>O<sub>4</sub> (<italic>X</italic>: P, As) in the molar ratio Na:Co:P:As = 2:1:0.5:1 was dissolved in deionized water and then heated at 373 K to dehydration. After grinding, it was placed in a porcelain boat and first heated at 673 K in air for 24 h and then heated gradually to 1123 K for 1 d. Some pink parallelepiped-shaped crystals were isolated from the sample. A qualitative EDX analysis confirmed the presence of Na, Co, Al, As and O (Fig. 1<xref ref-type="fig" rid="fig1"> ▸</xref>), with the aluminium diffusing from the reaction container.</p></sec><sec id="sec5"><title>Refinement </title><p>Crystal data, data collection and structure refinement details are summarized in Table 2<xref ref-type="table" rid="table2"> ▸</xref>. The Co and Al atoms occupying the <italic>M</italic><sub>A</sub> and <italic>M</italic><sub>B</sub> sites, as well as the P and As atoms occupying the <italic>M</italic><sub>C</sub> site, were constrained using the EXYZ and EADP instructions of <italic>SHELXL97</italic> (Sheldrick, 2008<xref ref-type="bibr" rid="bb20"> ▸</xref>). Three linear free variable restraints (SUMP) were required to restrain the sum of their occupation factors. The Na1 and Na2 cations are at half-occupancy sites and the two others (Na31 and Na32) with isotropic refinement have a total occupancy of 0.50 because, when refined freely, their occupations converged to these values.</p></sec><sec sec-type="supplementary-material"><title>Supplementary Material</title><supplementary-material content-type="local-data"><p>Crystal structure: contains datablock(s) I. DOI: <ext-link ext-link-type="uri" xlink:href="http://dx.doi.org/10.1107/S205698901600400X/br2258sup1.cif">10.1107/S205698901600400X/br2258sup1.cif</ext-link></p><media mimetype="chemical" mime-subtype="x-cif" xlink:href="e-72-00495-sup1.cif" xlink:type="simple" id="d36e179" position="anchor"></media></supplementary-material><supplementary-material content-type="local-data"><p>Structure factors: contains datablock(s) I. DOI: <ext-link ext-link-type="uri" xlink:href="http://dx.doi.org/10.1107/S205698901600400X/br2258Isup2.hkl">10.1107/S205698901600400X/br2258Isup2.hkl</ext-link></p><media mimetype="text" mime-subtype="plain" xlink:href="e-72-00495-Isup2.hkl" xlink:type="simple" id="d36e186" position="anchor"></media></supplementary-material><supplementary-material content-type="local-data"><p>CCDC reference: <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/cr.cgi?rm=csd&csdid=1462882">1462882</ext-link></p></supplementary-material><supplementary-material content-type="local-data"><p>Additional supporting information: <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendsupfiles?br2258&file=br2258sup0.html&mime=text/html"> crystallographic information</ext-link>; <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendcif?br2258sup1&Qmime=cif">3D view</ext-link>; <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/paper?br2258&checkcif=yes">checkCIF report</ext-link></p></supplementary-material></sec></body><back><ack><p>The authors are grateful to Professor M. F. Zid, Université Tunis El Manar, Faculté des Sciences, for the X-ray data and to Professor M. Nespolo, Kyoto University, Faculty of Sciences, for fruitful discussions.</p></ack><app-group><app><title>supplementary crystallographic information</title><sec id="tablewrapcrystaldatalong"><title>Crystal data</title><table-wrap position="anchor" id="d1e35"><table rules="all" frame="box" style="table-layout:fixed" summary=""><colgroup span="2"><col span="1"></col><col span="1"></col></colgroup><tr><td rowspan="1" colspan="1">Na<sub>4</sub>Co<sub>5.40</sub>Al<sub>1.07</sub>(As<sub>0.883</sub>P<sub>0.116</sub>O<sub>4</sub>)<sub>6</sub></td><td rowspan="1" colspan="1"><italic>F</italic>(000) = 1162</td></tr><tr><td rowspan="1" colspan="1"><italic>M</italic><italic><sub>r</sub></italic> = 1242.08</td><td rowspan="1" colspan="1"><italic>D</italic><sub>x</sub> = 4.187 Mg m<sup>−</sup><sup>3</sup></td></tr><tr><td rowspan="1" colspan="1">Monoclinic, <italic>C</italic>2/<italic>m</italic></td><td rowspan="1" colspan="1">Mo <italic>K</italic>α radiation, λ = 0.71073 Å</td></tr><tr><td rowspan="1" colspan="1"><italic>a</italic> = 10.5797 (2) Å</td><td rowspan="1" colspan="1">Cell parameters from 25 reflections</td></tr><tr><td rowspan="1" colspan="1"><italic>b</italic> = 14.5528 (3) Å</td><td rowspan="1" colspan="1">θ = 12.0–14.8°</td></tr><tr><td rowspan="1" colspan="1"><italic>c</italic> = 6.6441 (3) Å</td><td rowspan="1" colspan="1">µ = 13.60 mm<sup>−</sup><sup>1</sup></td></tr><tr><td rowspan="1" colspan="1">β = 105.608 (9)°</td><td rowspan="1" colspan="1"><italic>T</italic> = 293 K</td></tr><tr><td rowspan="1" colspan="1"><italic>V</italic> = 985.23 (7) Å<sup>3</sup></td><td rowspan="1" colspan="1">Parallelepiped, pink</td></tr><tr><td rowspan="1" colspan="1"><italic>Z</italic> = 2</td><td rowspan="1" colspan="1">0.30 × 0.20 × 0.20 mm</td></tr></table></table-wrap></sec><sec id="tablewrapdatacollectionlong"><title>Data collection</title><table-wrap position="anchor" id="d1e168"><table rules="all" frame="box" style="table-layout:fixed" summary=""><colgroup span="2"><col span="1"></col><col span="1"></col></colgroup><tr><td rowspan="1" colspan="1">Enraf–Nonius CAD-4 diffractometer</td><td rowspan="1" colspan="1"><italic>R</italic><sub>int</sub> = 0.027</td></tr><tr><td rowspan="1" colspan="1">ω/2θ scans</td><td rowspan="1" colspan="1">θ<sub>max</sub> = 27.0°, θ<sub>min</sub> = 2.4°</td></tr><tr><td rowspan="1" colspan="1">Absorption correction: ψ scan (North <italic>et al.</italic>, 1968)</td><td rowspan="1" colspan="1"><italic>h</italic> = −13→13</td></tr><tr><td rowspan="1" colspan="1"><italic>T</italic><sub>min</sub> = 0.055, <italic>T</italic><sub>max</sub> = 0.140</td><td rowspan="1" colspan="1"><italic>k</italic> = −1→18</td></tr><tr><td rowspan="1" colspan="1">2409 measured reflections</td><td rowspan="1" colspan="1"><italic>l</italic> = −8→8</td></tr><tr><td rowspan="1" colspan="1">1124 independent reflections</td><td rowspan="1" colspan="1">2 standard reflections every 120 reflections</td></tr><tr><td rowspan="1" colspan="1">894 reflections with <italic>I</italic> > 2σ(<italic>I</italic>)</td><td rowspan="1" colspan="1"> intensity decay: 1%</td></tr></table></table-wrap></sec><sec id="tablewraprefinementdatalong"><title>Refinement</title><table-wrap position="anchor" id="d1e288"><table rules="all" frame="box" style="table-layout:fixed" summary=""><colgroup span="2"><col span="1"></col><col span="1"></col></colgroup><tr><td rowspan="1" colspan="1">Refinement on <italic>F</italic><sup>2</sup></td><td rowspan="1" colspan="1">117 parameters</td></tr><tr><td rowspan="1" colspan="1">Least-squares matrix: full</td><td rowspan="1" colspan="1">2 restraints</td></tr><tr><td rowspan="1" colspan="1"><italic>R</italic>[<italic>F</italic><sup>2</sup> > 2σ(<italic>F</italic><sup>2</sup>)] = 0.030</td><td rowspan="1" colspan="1"><italic>w</italic> = 1/[σ<sup>2</sup>(<italic>F</italic><sub>o</sub><sup>2</sup>) + (0.0401<italic>P</italic>)<sup>2</sup> + 10.5538<italic>P</italic>] where <italic>P</italic> = (<italic>F</italic><sub>o</sub><sup>2</sup> + 2<italic>F</italic><sub>c</sub><sup>2</sup>)/3</td></tr><tr><td rowspan="1" colspan="1"><italic>wR</italic>(<italic>F</italic><sup>2</sup>) = 0.083</td><td rowspan="1" colspan="1">(Δ/σ)<sub>max</sub> < 0.001</td></tr><tr><td rowspan="1" colspan="1"><italic>S</italic> = 1.07</td><td rowspan="1" colspan="1">Δρ<sub>max</sub> = 0.81 e Å<sup>−</sup><sup>3</sup></td></tr><tr><td rowspan="1" colspan="1">1124 reflections</td><td rowspan="1" colspan="1">Δρ<sub>min</sub> = −0.85 e Å<sup>−</sup><sup>3</sup></td></tr></table></table-wrap></sec><sec id="specialdetails"><title>Special details</title><table-wrap position="anchor" id="d1e436"><table rules="all" frame="box" style="table-layout:fixed"><tr><td rowspan="1" colspan="1">Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.</td></tr></table></table-wrap></sec><sec id="tablewrapcoords"><title>Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å<sup>2</sup>)</title><table-wrap position="anchor" id="d1e457"><table rules="all" frame="box" style="table-layout:fixed" summary=""><tr><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"><italic>x</italic></td><td rowspan="1" colspan="1"><italic>y</italic></td><td rowspan="1" colspan="1"><italic>z</italic></td><td rowspan="1" colspan="1"><italic>U</italic><sub>iso</sub>*/<italic>U</italic><sub>eq</sub></td><td rowspan="1" colspan="1">Occ. (<1)</td></tr><tr><td rowspan="1" colspan="1">Co1</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.0064 (9)</td><td rowspan="1" colspan="1">0.189 (13)</td></tr><tr><td rowspan="1" colspan="1">Al1</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.0064 (9)</td><td rowspan="1" colspan="1">0.811 (13)</td></tr><tr><td rowspan="1" colspan="1">Co2</td><td rowspan="1" colspan="1">−0.5000</td><td rowspan="1" colspan="1">0.16324 (13)</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.0118 (6)</td><td rowspan="1" colspan="1">0.605 (9)</td></tr><tr><td rowspan="1" colspan="1">Al2</td><td rowspan="1" colspan="1">−0.5000</td><td rowspan="1" colspan="1">0.16324 (13)</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.0118 (6)</td><td rowspan="1" colspan="1">0.135 (9)</td></tr><tr><td rowspan="1" colspan="1">Co3</td><td rowspan="1" colspan="1">−0.18046 (7)</td><td rowspan="1" colspan="1">0.18027 (5)</td><td rowspan="1" colspan="1">0.17925 (10)</td><td rowspan="1" colspan="1">0.0062 (2)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">As1</td><td rowspan="1" colspan="1">−0.32397 (10)</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">−0.06479 (16)</td><td rowspan="1" colspan="1">0.0091 (4)</td><td rowspan="1" colspan="1">0.649 (7)</td></tr><tr><td rowspan="1" colspan="1">P1</td><td rowspan="1" colspan="1">−0.32397 (10)</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">−0.06479 (16)</td><td rowspan="1" colspan="1">0.0091 (4)</td><td rowspan="1" colspan="1">0.351 (7)</td></tr><tr><td rowspan="1" colspan="1">As2</td><td rowspan="1" colspan="1">0.09963 (5)</td><td rowspan="1" colspan="1">0.17931 (4)</td><td rowspan="1" colspan="1">0.29004 (8)</td><td rowspan="1" colspan="1">0.00940 (18)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">Na1</td><td rowspan="1" colspan="1">−0.4220 (5)</td><td rowspan="1" colspan="1">−0.1148 (4)</td><td rowspan="1" colspan="1">−0.5048 (8)</td><td rowspan="1" colspan="1">0.0258 (12)</td><td rowspan="1" colspan="1">0.5</td></tr><tr><td rowspan="1" colspan="1">Na2</td><td rowspan="1" colspan="1">−0.6741 (7)</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">−0.4195 (11)</td><td rowspan="1" colspan="1">0.0217 (16)</td><td rowspan="1" colspan="1">0.5</td></tr><tr><td rowspan="1" colspan="1">Na31</td><td rowspan="1" colspan="1">−0.084 (3)</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.469 (3)</td><td rowspan="1" colspan="1">0.017 (2)*</td><td rowspan="1" colspan="1">0.229 (19)</td></tr><tr><td rowspan="1" colspan="1">Na32</td><td rowspan="1" colspan="1">−0.036 (2)</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.487 (2)</td><td rowspan="1" colspan="1">0.017 (2)*</td><td rowspan="1" colspan="1">0.271 (19)</td></tr><tr><td rowspan="1" colspan="1">O1</td><td rowspan="1" colspan="1">−0.0101 (4)</td><td rowspan="1" colspan="1">0.0937 (3)</td><td rowspan="1" colspan="1">0.2026 (6)</td><td rowspan="1" colspan="1">0.0090 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O2</td><td rowspan="1" colspan="1">−0.3346 (4)</td><td rowspan="1" colspan="1">0.0895 (3)</td><td rowspan="1" colspan="1">0.0802 (6)</td><td rowspan="1" colspan="1">0.0127 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O3</td><td rowspan="1" colspan="1">−0.0063 (4)</td><td rowspan="1" colspan="1">0.2670 (3)</td><td rowspan="1" colspan="1">0.2696 (6)</td><td rowspan="1" colspan="1">0.0100 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O4</td><td rowspan="1" colspan="1">0.1921 (4)</td><td rowspan="1" colspan="1">0.2070 (3)</td><td rowspan="1" colspan="1">0.1327 (6)</td><td rowspan="1" colspan="1">0.0111 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O5</td><td rowspan="1" colspan="1">−0.4356 (6)</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">−0.2789 (10)</td><td rowspan="1" colspan="1">0.0202 (14)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O6</td><td rowspan="1" colspan="1">0.1900 (4)</td><td rowspan="1" colspan="1">0.1511 (3)</td><td rowspan="1" colspan="1">0.5228 (6)</td><td rowspan="1" colspan="1">0.0134 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O7</td><td rowspan="1" colspan="1">−0.1813 (6)</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">−0.1116 (10)</td><td rowspan="1" colspan="1">0.0141 (13)</td><td rowspan="1" colspan="1"></td></tr></table></table-wrap></sec><sec id="tablewrapadps"><title>Atomic displacement parameters (Å<sup>2</sup>)</title><table-wrap position="anchor" id="d1e775"><table rules="all" frame="box" style="table-layout:fixed" summary=""><tr><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"><italic>U</italic><sup>11</sup></td><td rowspan="1" colspan="1"><italic>U</italic><sup>22</sup></td><td rowspan="1" colspan="1"><italic>U</italic><sup>33</sup></td><td rowspan="1" colspan="1"><italic>U</italic><sup>12</sup></td><td rowspan="1" colspan="1"><italic>U</italic><sup>13</sup></td><td rowspan="1" colspan="1"><italic>U</italic><sup>23</sup></td></tr><tr><td rowspan="1" colspan="1">Co1</td><td rowspan="1" colspan="1">0.0061 (14)</td><td rowspan="1" colspan="1">0.0053 (15)</td><td rowspan="1" colspan="1">0.0075 (14)</td><td rowspan="1" colspan="1">0.000</td><td rowspan="1" colspan="1">0.0013 (9)</td><td rowspan="1" colspan="1">0.000</td></tr><tr><td rowspan="1" colspan="1">Al1</td><td rowspan="1" colspan="1">0.0061 (14)</td><td rowspan="1" colspan="1">0.0053 (15)</td><td rowspan="1" colspan="1">0.0075 (14)</td><td rowspan="1" colspan="1">0.000</td><td rowspan="1" colspan="1">0.0013 (9)</td><td rowspan="1" colspan="1">0.000</td></tr><tr><td rowspan="1" colspan="1">Co2</td><td rowspan="1" colspan="1">0.0103 (8)</td><td rowspan="1" colspan="1">0.0146 (10)</td><td rowspan="1" colspan="1">0.0102 (9)</td><td rowspan="1" colspan="1">0.000</td><td rowspan="1" colspan="1">0.0021 (6)</td><td rowspan="1" colspan="1">0.000</td></tr><tr><td rowspan="1" colspan="1">Al2</td><td rowspan="1" colspan="1">0.0103 (8)</td><td rowspan="1" colspan="1">0.0146 (10)</td><td rowspan="1" colspan="1">0.0102 (9)</td><td rowspan="1" colspan="1">0.000</td><td rowspan="1" colspan="1">0.0021 (6)</td><td rowspan="1" colspan="1">0.000</td></tr><tr><td rowspan="1" colspan="1">Co3</td><td rowspan="1" colspan="1">0.0065 (3)</td><td rowspan="1" colspan="1">0.0070 (4)</td><td rowspan="1" colspan="1">0.0048 (3)</td><td rowspan="1" colspan="1">0.0004 (3)</td><td rowspan="1" colspan="1">0.0007 (3)</td><td rowspan="1" colspan="1">0.0005 (3)</td></tr><tr><td rowspan="1" colspan="1">As1</td><td rowspan="1" colspan="1">0.0070 (5)</td><td rowspan="1" colspan="1">0.0067 (6)</td><td rowspan="1" colspan="1">0.0131 (6)</td><td rowspan="1" colspan="1">0.000</td><td rowspan="1" colspan="1">0.0019 (4)</td><td rowspan="1" colspan="1">0.000</td></tr><tr><td rowspan="1" colspan="1">P1</td><td rowspan="1" colspan="1">0.0070 (5)</td><td rowspan="1" colspan="1">0.0067 (6)</td><td rowspan="1" colspan="1">0.0131 (6)</td><td rowspan="1" colspan="1">0.000</td><td rowspan="1" colspan="1">0.0019 (4)</td><td rowspan="1" colspan="1">0.000</td></tr><tr><td rowspan="1" colspan="1">As2</td><td rowspan="1" colspan="1">0.0090 (3)</td><td rowspan="1" colspan="1">0.0115 (3)</td><td rowspan="1" colspan="1">0.0070 (3)</td><td rowspan="1" colspan="1">−0.0007 (2)</td><td rowspan="1" colspan="1">0.0010 (2)</td><td rowspan="1" colspan="1">0.0008 (2)</td></tr><tr><td rowspan="1" colspan="1">Na1</td><td rowspan="1" colspan="1">0.026 (3)</td><td rowspan="1" colspan="1">0.020 (3)</td><td rowspan="1" colspan="1">0.027 (3)</td><td rowspan="1" colspan="1">0.005 (2)</td><td rowspan="1" colspan="1">0.001 (2)</td><td rowspan="1" colspan="1">−0.011 (2)</td></tr><tr><td rowspan="1" colspan="1">Na2</td><td rowspan="1" colspan="1">0.022 (4)</td><td rowspan="1" colspan="1">0.029 (5)</td><td rowspan="1" colspan="1">0.018 (4)</td><td rowspan="1" colspan="1">0.000</td><td rowspan="1" colspan="1">0.012 (3)</td><td rowspan="1" colspan="1">0.000</td></tr><tr><td rowspan="1" colspan="1">O1</td><td rowspan="1" colspan="1">0.0112 (17)</td><td rowspan="1" colspan="1">0.0083 (19)</td><td rowspan="1" colspan="1">0.0072 (18)</td><td rowspan="1" colspan="1">−0.0014 (15)</td><td rowspan="1" colspan="1">0.0018 (14)</td><td rowspan="1" colspan="1">−0.0006 (16)</td></tr><tr><td rowspan="1" colspan="1">O2</td><td rowspan="1" colspan="1">0.0149 (19)</td><td rowspan="1" colspan="1">0.011 (2)</td><td rowspan="1" colspan="1">0.0122 (19)</td><td rowspan="1" colspan="1">−0.0039 (16)</td><td rowspan="1" colspan="1">0.0043 (15)</td><td rowspan="1" colspan="1">−0.0052 (17)</td></tr><tr><td rowspan="1" colspan="1">O3</td><td rowspan="1" colspan="1">0.0076 (18)</td><td rowspan="1" colspan="1">0.010 (2)</td><td rowspan="1" colspan="1">0.0112 (19)</td><td rowspan="1" colspan="1">0.0023 (16)</td><td rowspan="1" colspan="1">0.0002 (14)</td><td rowspan="1" colspan="1">−0.0004 (16)</td></tr><tr><td rowspan="1" colspan="1">O4</td><td rowspan="1" colspan="1">0.0150 (19)</td><td rowspan="1" colspan="1">0.016 (2)</td><td rowspan="1" colspan="1">0.0041 (18)</td><td rowspan="1" colspan="1">−0.0056 (17)</td><td rowspan="1" colspan="1">0.0050 (15)</td><td rowspan="1" colspan="1">−0.0040 (16)</td></tr><tr><td rowspan="1" colspan="1">O5</td><td rowspan="1" colspan="1">0.019 (3)</td><td rowspan="1" colspan="1">0.016 (4)</td><td rowspan="1" colspan="1">0.022 (3)</td><td rowspan="1" colspan="1">0.000</td><td rowspan="1" colspan="1">0.000 (3)</td><td rowspan="1" colspan="1">0.000</td></tr><tr><td rowspan="1" colspan="1">O6</td><td rowspan="1" colspan="1">0.0145 (19)</td><td rowspan="1" colspan="1">0.023 (2)</td><td rowspan="1" colspan="1">0.0022 (17)</td><td rowspan="1" colspan="1">0.0030 (18)</td><td rowspan="1" colspan="1">0.0009 (15)</td><td rowspan="1" colspan="1">−0.0017 (16)</td></tr><tr><td rowspan="1" colspan="1">O7</td><td rowspan="1" colspan="1">0.009 (3)</td><td rowspan="1" colspan="1">0.011 (3)</td><td rowspan="1" colspan="1">0.023 (3)</td><td rowspan="1" colspan="1">0.000</td><td rowspan="1" colspan="1">0.006 (2)</td><td rowspan="1" colspan="1">0.000</td></tr></table></table-wrap></sec><sec id="tablewrapgeomlong"><title>Geometric parameters (Å, º)</title><table-wrap position="anchor" id="d1e1095"><table rules="all" frame="box" style="table-layout:fixed" summary=""><colgroup span="4"><col span="1"></col><col span="1"></col><col span="1"></col><col span="1"></col></colgroup><tr><td rowspan="1" colspan="1">Co1—O7<sup>i</sup></td><td rowspan="1" colspan="1">1.861 (6)</td><td rowspan="1" colspan="1">Na2—Na1<sup>ix</sup></td><td rowspan="1" colspan="1">2.086 (8)</td></tr><tr><td rowspan="1" colspan="1">Co1—O7</td><td rowspan="1" colspan="1">1.861 (6)</td><td rowspan="1" colspan="1">Na2—Na1<sup>xi</sup></td><td rowspan="1" colspan="1">2.086 (8)</td></tr><tr><td rowspan="1" colspan="1">Co1—O1</td><td rowspan="1" colspan="1">1.939 (4)</td><td rowspan="1" colspan="1">Na2—O5</td><td rowspan="1" colspan="1">2.443 (10)</td></tr><tr><td rowspan="1" colspan="1">Co1—O1<sup>i</sup></td><td rowspan="1" colspan="1">1.939 (4)</td><td rowspan="1" colspan="1">Na2—Na31<sup>xii</sup></td><td rowspan="1" colspan="1">2.49 (3)</td></tr><tr><td rowspan="1" colspan="1">Co1—O1<sup>ii</sup></td><td rowspan="1" colspan="1">1.939 (4)</td><td rowspan="1" colspan="1">Na2—O5<sup>ix</sup></td><td rowspan="1" colspan="1">2.572 (10)</td></tr><tr><td rowspan="1" colspan="1">Co1—O1<sup>iii</sup></td><td rowspan="1" colspan="1">1.939 (4)</td><td rowspan="1" colspan="1">Na2—O2<sup>iv</sup></td><td rowspan="1" colspan="1">2.584 (7)</td></tr><tr><td rowspan="1" colspan="1">Co2—O2<sup>iv</sup></td><td rowspan="1" colspan="1">1.999 (4)</td><td rowspan="1" colspan="1">Na2—O2<sup>xii</sup></td><td rowspan="1" colspan="1">2.584 (7)</td></tr><tr><td rowspan="1" colspan="1">Co2—O2</td><td rowspan="1" colspan="1">1.999 (4)</td><td rowspan="1" colspan="1">Na2—O6<sup>xiii</sup></td><td rowspan="1" colspan="1">2.598 (6)</td></tr><tr><td rowspan="1" colspan="1">Co2—O3<sup>v</sup></td><td rowspan="1" colspan="1">2.075 (4)</td><td rowspan="1" colspan="1">Na2—O6<sup>xiv</sup></td><td rowspan="1" colspan="1">2.598 (6)</td></tr><tr><td rowspan="1" colspan="1">Co2—O3<sup>vi</sup></td><td rowspan="1" colspan="1">2.075 (4)</td><td rowspan="1" colspan="1">Na2—Na32<sup>xii</sup></td><td rowspan="1" colspan="1">2.98 (2)</td></tr><tr><td rowspan="1" colspan="1">Co3—O6<sup>vii</sup></td><td rowspan="1" colspan="1">2.054 (4)</td><td rowspan="1" colspan="1">Na31—Na32<sup>xv</sup></td><td rowspan="1" colspan="1">1.23 (5)</td></tr><tr><td rowspan="1" colspan="1">Co3—O2</td><td rowspan="1" colspan="1">2.064 (4)</td><td rowspan="1" colspan="1">Na31—Na31<sup>xv</sup></td><td rowspan="1" colspan="1">1.72 (6)</td></tr><tr><td rowspan="1" colspan="1">Co3—O4<sup>iii</sup></td><td rowspan="1" colspan="1">2.080 (4)</td><td rowspan="1" colspan="1">Na31—O6<sup>xv</sup></td><td rowspan="1" colspan="1">2.473 (15)</td></tr><tr><td rowspan="1" colspan="1">Co3—O4<sup>v</sup></td><td rowspan="1" colspan="1">2.092 (4)</td><td rowspan="1" colspan="1">Na31—O6<sup>vii</sup></td><td rowspan="1" colspan="1">2.473 (15)</td></tr><tr><td rowspan="1" colspan="1">Co3—O1</td><td rowspan="1" colspan="1">2.171 (4)</td><td rowspan="1" colspan="1">Na31—Na2<sup>xii</sup></td><td rowspan="1" colspan="1">2.49 (3)</td></tr><tr><td rowspan="1" colspan="1">Co3—O3</td><td rowspan="1" colspan="1">2.181 (4)</td><td rowspan="1" colspan="1">Na31—O1</td><td rowspan="1" colspan="1">2.524 (17)</td></tr><tr><td rowspan="1" colspan="1">As1—O5</td><td rowspan="1" colspan="1">1.586 (6)</td><td rowspan="1" colspan="1">Na31—O1<sup>ii</sup></td><td rowspan="1" colspan="1">2.524 (17)</td></tr><tr><td rowspan="1" colspan="1">As1—O7</td><td rowspan="1" colspan="1">1.621 (6)</td><td rowspan="1" colspan="1">Na31—O1<sup>vii</sup></td><td rowspan="1" colspan="1">2.536 (17)</td></tr><tr><td rowspan="1" colspan="1">As1—O2<sup>ii</sup></td><td rowspan="1" colspan="1">1.642 (4)</td><td rowspan="1" colspan="1">Na31—O1<sup>xv</sup></td><td rowspan="1" colspan="1">2.536 (17)</td></tr><tr><td rowspan="1" colspan="1">As1—O2</td><td rowspan="1" colspan="1">1.642 (4)</td><td rowspan="1" colspan="1">Na32—Na32<sup>xv</sup></td><td rowspan="1" colspan="1">0.73 (4)</td></tr><tr><td rowspan="1" colspan="1">As2—O6</td><td rowspan="1" colspan="1">1.637 (4)</td><td rowspan="1" colspan="1">Na32—Na31<sup>xv</sup></td><td rowspan="1" colspan="1">1.23 (5)</td></tr><tr><td rowspan="1" colspan="1">As2—O4</td><td rowspan="1" colspan="1">1.662 (4)</td><td rowspan="1" colspan="1">Na32—O1<sup>vii</sup></td><td rowspan="1" colspan="1">2.408 (13)</td></tr><tr><td rowspan="1" colspan="1">As2—O3</td><td rowspan="1" colspan="1">1.680 (4)</td><td rowspan="1" colspan="1">Na32—O1<sup>xv</sup></td><td rowspan="1" colspan="1">2.408 (13)</td></tr><tr><td rowspan="1" colspan="1">As2—O1</td><td rowspan="1" colspan="1">1.695 (4)</td><td rowspan="1" colspan="1">Na32—O1</td><td rowspan="1" colspan="1">2.407 (13)</td></tr><tr><td rowspan="1" colspan="1">Na1—O5</td><td rowspan="1" colspan="1">2.276 (7)</td><td rowspan="1" colspan="1">Na32—O1<sup>ii</sup></td><td rowspan="1" colspan="1">2.407 (13)</td></tr><tr><td rowspan="1" colspan="1">Na1—O3<sup>viii</sup></td><td rowspan="1" colspan="1">2.298 (7)</td><td rowspan="1" colspan="1">Na32—O6<sup>xv</sup></td><td rowspan="1" colspan="1">2.727 (14)</td></tr><tr><td rowspan="1" colspan="1">Na1—O5<sup>ix</sup></td><td rowspan="1" colspan="1">2.441 (7)</td><td rowspan="1" colspan="1">Na32—O6<sup>vii</sup></td><td rowspan="1" colspan="1">2.727 (14)</td></tr><tr><td rowspan="1" colspan="1">Na1—O6<sup>i</sup></td><td rowspan="1" colspan="1">2.545 (7)</td><td rowspan="1" colspan="1">Na32—Na2<sup>xii</sup></td><td rowspan="1" colspan="1">2.98 (2)</td></tr><tr><td rowspan="1" colspan="1">Na1—O3<sup>x</sup></td><td rowspan="1" colspan="1">2.572 (8)</td><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O7<sup>i</sup>—Co1—O7</td><td rowspan="1" colspan="1">180.0</td><td rowspan="1" colspan="1">O2<sup>iv</sup>—Co2—O3<sup>vi</sup></td><td rowspan="1" colspan="1">105.15 (15)</td></tr><tr><td rowspan="1" colspan="1">O7<sup>i</sup>—Co1—O1</td><td rowspan="1" colspan="1">88.09 (17)</td><td rowspan="1" colspan="1">O2—Co2—O3<sup>vi</sup></td><td rowspan="1" colspan="1">105.29 (15)</td></tr><tr><td rowspan="1" colspan="1">O7—Co1—O1</td><td rowspan="1" colspan="1">91.91 (17)</td><td rowspan="1" colspan="1">O3<sup>v</sup>—Co2—O3<sup>vi</sup></td><td rowspan="1" colspan="1">121.5 (2)</td></tr><tr><td rowspan="1" colspan="1">O7<sup>i</sup>—Co1—O1<sup>i</sup></td><td rowspan="1" colspan="1">91.91 (17)</td><td rowspan="1" colspan="1">O6<sup>vii</sup>—Co3—O2</td><td rowspan="1" colspan="1">86.29 (16)</td></tr><tr><td rowspan="1" colspan="1">O7—Co1—O1<sup>i</sup></td><td rowspan="1" colspan="1">88.09 (17)</td><td rowspan="1" colspan="1">O6<sup>vii</sup>—Co3—O4<sup>iii</sup></td><td rowspan="1" colspan="1">173.90 (16)</td></tr><tr><td rowspan="1" colspan="1">O1—Co1—O1<sup>i</sup></td><td rowspan="1" colspan="1">180.0</td><td rowspan="1" colspan="1">O2—Co3—O4<sup>iii</sup></td><td rowspan="1" colspan="1">88.41 (16)</td></tr><tr><td rowspan="1" colspan="1">O7<sup>i</sup>—Co1—O1<sup>ii</sup></td><td rowspan="1" colspan="1">88.09 (17)</td><td rowspan="1" colspan="1">O6<sup>vii</sup>—Co3—O4<sup>v</sup></td><td rowspan="1" colspan="1">96.19 (16)</td></tr><tr><td rowspan="1" colspan="1">O7—Co1—O1<sup>ii</sup></td><td rowspan="1" colspan="1">91.91 (17)</td><td rowspan="1" colspan="1">O2—Co3—O4<sup>v</sup></td><td rowspan="1" colspan="1">91.84 (17)</td></tr><tr><td rowspan="1" colspan="1">O1—Co1—O1<sup>ii</sup></td><td rowspan="1" colspan="1">89.4 (2)</td><td rowspan="1" colspan="1">O4<sup>iii</sup>—Co3—O4<sup>v</sup></td><td rowspan="1" colspan="1">80.95 (17)</td></tr><tr><td rowspan="1" colspan="1">O1<sup>i</sup>—Co1—O1<sup>ii</sup></td><td rowspan="1" colspan="1">90.6 (2)</td><td rowspan="1" colspan="1">O6<sup>vii</sup>—Co3—O1</td><td rowspan="1" colspan="1">93.80 (16)</td></tr><tr><td rowspan="1" colspan="1">O7<sup>i</sup>—Co1—O1<sup>iii</sup></td><td rowspan="1" colspan="1">91.91 (17)</td><td rowspan="1" colspan="1">O2—Co3—O1</td><td rowspan="1" colspan="1">102.77 (16)</td></tr><tr><td rowspan="1" colspan="1">O7—Co1—O1<sup>iii</sup></td><td rowspan="1" colspan="1">88.09 (17)</td><td rowspan="1" colspan="1">O4<sup>iii</sup>—Co3—O1</td><td rowspan="1" colspan="1">90.31 (15)</td></tr><tr><td rowspan="1" colspan="1">O1—Co1—O1<sup>iii</sup></td><td rowspan="1" colspan="1">90.6 (2)</td><td rowspan="1" colspan="1">O4<sup>v</sup>—Co3—O1</td><td rowspan="1" colspan="1">162.79 (16)</td></tr><tr><td rowspan="1" colspan="1">O1<sup>i</sup>—Co1—O1<sup>iii</sup></td><td rowspan="1" colspan="1">89.4 (2)</td><td rowspan="1" colspan="1">O6<sup>vii</sup>—Co3—O3</td><td rowspan="1" colspan="1">96.40 (16)</td></tr><tr><td rowspan="1" colspan="1">O1<sup>ii</sup>—Co1—O1<sup>iii</sup></td><td rowspan="1" colspan="1">180.0 (3)</td><td rowspan="1" colspan="1">O2—Co3—O3</td><td rowspan="1" colspan="1">174.29 (16)</td></tr><tr><td rowspan="1" colspan="1">O2<sup>iv</sup>—Co2—O2</td><td rowspan="1" colspan="1">115.1 (3)</td><td rowspan="1" colspan="1">O4<sup>iii</sup>—Co3—O3</td><td rowspan="1" colspan="1">89.15 (16)</td></tr><tr><td rowspan="1" colspan="1">O2<sup>iv</sup>—Co2—O3<sup>v</sup></td><td rowspan="1" colspan="1">105.29 (15)</td><td rowspan="1" colspan="1">O4<sup>v</sup>—Co3—O3</td><td rowspan="1" colspan="1">92.87 (16)</td></tr><tr><td rowspan="1" colspan="1">O2—Co2—O3<sup>v</sup></td><td rowspan="1" colspan="1">105.15 (15)</td><td rowspan="1" colspan="1">O1—Co3—O3</td><td rowspan="1" colspan="1">72.08 (15)</td></tr></table></table-wrap><p>Symmetry codes: (i) −<italic>x</italic>, −<italic>y</italic>, −<italic>z</italic>; (ii) <italic>x</italic>, −<italic>y</italic>, <italic>z</italic>; (iii) −<italic>x</italic>, <italic>y</italic>, −<italic>z</italic>; (iv) −<italic>x</italic>−1, <italic>y</italic>, −<italic>z</italic>; (v) <italic>x</italic>−1/2, −<italic>y</italic>+1/2, <italic>z</italic>; (vi) −<italic>x</italic>−1/2, −<italic>y</italic>+1/2, −<italic>z</italic>; (vii) −<italic>x</italic>, <italic>y</italic>, −<italic>z</italic>+1; (viii) <italic>x</italic>−1/2, <italic>y</italic>−1/2, <italic>z</italic>−1; (ix) −<italic>x</italic>−1, −<italic>y</italic>, −<italic>z</italic>−1; (x) −<italic>x</italic>−1/2, <italic>y</italic>−1/2, −<italic>z</italic>; (xi) −<italic>x</italic>−1, <italic>y</italic>, −<italic>z</italic>−1; (xii) −<italic>x</italic>−1, −<italic>y</italic>, −<italic>z</italic>; (xiii) <italic>x</italic>−1, −<italic>y</italic>, <italic>z</italic>−1; (xiv) <italic>x</italic>−1, <italic>y</italic>, <italic>z</italic>−1; (xv) −<italic>x</italic>, −<italic>y</italic>, −<italic>z</italic>+1.</p></sec></app></app-group><ref-list><title>References</title><ref id="bb1"><mixed-citation publication-type="other">Adams, S. (2003). <italic>softBV</italic>. University of Göttingen, Germany. http://kristall.uni-mki. gwdg. de/softBV/.</mixed-citation></ref><ref id="bb2"><mixed-citation publication-type="other">Ben Smail, R., Driss, A. & Jouini, T. (1999). <italic>Acta Cryst.</italic> C<bold>55</bold>, 284–286.</mixed-citation></ref><ref id="bb3"><mixed-citation publication-type="other">Bontchev, R. P. & Sevov, S. C. (1999). <italic>J. Mater. Chem.</italic><bold>9</bold>, 2679–2682.</mixed-citation></ref><ref id="bb4"><mixed-citation publication-type="other">Brandenburg, K. (2006). <italic>DIAMOND</italic>. Crystal Impact GbR, Bonn, Germany.</mixed-citation></ref><ref id="bb5"><mixed-citation publication-type="other">Brown, I. D. (2002). <italic>The Chemical Bond in Inorganic Chemistry – The Bond Valence Model. IUCr Monographs on Crystallography</italic>, 12. Oxford University Press.</mixed-citation></ref><ref id="bb6"><mixed-citation publication-type="other">Chen, J., Xu, R., Xu, Y. & Qiu, J. (1990). <italic>J. Chem. Soc. Dalton Trans.</italic> pp. 3319–3323.</mixed-citation></ref><ref id="bb7"><mixed-citation publication-type="other">Duisenberg, A. J. M. (1992). <italic>J. Appl. Cryst.</italic><bold>25</bold>, 92–96.</mixed-citation></ref><ref id="bb8"><mixed-citation publication-type="other">Eon, J.-G. & Nespolo, M. (2015). <italic>Acta Cryst.</italic> B<bold>71</bold>, 34–47.</mixed-citation></ref><ref id="bb9"><mixed-citation publication-type="other">Farrugia, L. J. (2012). <italic>J. Appl. Cryst.</italic><bold>45</bold>, 849–854.</mixed-citation></ref><ref id="bb10"><mixed-citation publication-type="other">Harms, K. & Wocadlo, S. (1995). <italic>XCAD4</italic>. University of Marburg, Germany.</mixed-citation></ref><ref id="bb11"><mixed-citation publication-type="other">Kobashi, D., Kohara, S., Yamakawa, J. & Kawahara, A. (1998). <italic>Acta Cryst.</italic> C<bold>54</bold>, 7–9.</mixed-citation></ref><ref id="bb12"><mixed-citation publication-type="other">Li, J., Yu, J. & Xu, R. (2012). <italic>Proc. R. Soc. A</italic>, <bold>468</bold>, 1955–1967.</mixed-citation></ref><ref id="bb13"><mixed-citation publication-type="other">Macíček, J. & Yordanov, A. (1992). <italic>J. Appl. Cryst.</italic><bold>25</bold>, 73–80.</mixed-citation></ref><ref id="bb14"><mixed-citation publication-type="other">Marzouki, R., Guesmi, A. & Driss, A. (2010). <italic>Acta Cryst.</italic> C<bold>66</bold>, i95–i98.</mixed-citation></ref><ref id="bb15"><mixed-citation publication-type="other">Marzouki, R., Guesmi, A., Zid, M. F. & Driss, A. (2013). <italic>J. Inorg. Chem.</italic> pp. 9–16.</mixed-citation></ref><ref id="bb16"><mixed-citation publication-type="other">Moring, J. & Kostiner, E. (1986). <italic>J. Solid State Chem.</italic><bold>62</bold>, 105–111.</mixed-citation></ref><ref id="bb17"><mixed-citation publication-type="other">Nespolo, M. (2015). <italic>CHARDI-2015</italic>. http://www.crystallography.fr/chardi.</mixed-citation></ref><ref id="bb18"><mixed-citation publication-type="other">Nespolo, M. (2016). <italic>Acta Cryst.</italic> B<bold>72</bold>, 51–66.</mixed-citation></ref><ref id="bb19"><mixed-citation publication-type="other">North, A. C. T., Phillips, D. C. & Mathews, F. S. (1968). <italic>Acta Cryst.</italic> A<bold>24</bold>, 351–359.</mixed-citation></ref><ref id="bb20"><mixed-citation publication-type="other">Sheldrick, G. M. (2008). <italic>Acta Cryst.</italic> A<bold>64</bold>, 112–122.</mixed-citation></ref><ref id="bb21"><mixed-citation publication-type="other">Westrip, S. P. (2010). <italic>J. Appl. Cryst.</italic><bold>43</bold>, 920–925.</mixed-citation></ref></ref-list></back><floats-group><fig id="fig1" position="float"><label>Figure 1</label><caption><p>The EDX spectrum of the title compound. The inset shows the morphology of one crystal.</p></caption><graphic xlink:href="e-72-00495-fig1"></graphic></fig><fig id="fig2" position="float"><label>Figure 2</label><caption><p>The asymmetric unit of (I), showing the atom-labelling scheme. The full coordination polyhedra are shown, including the corresponding symmetry-related O atoms. Displacement ellipsoids are drawn at the 50% probability level. [<italic>M</italic><sub>A</sub> = Co<sub>0.189</sub>Al<sub>0.811</sub>; <italic>M</italic><sub>B</sub> = Co<sub>0.605</sub>Al<sub>0.135</sub>□<sub>0.260</sub>; <italic>M</italic><sub>C</sub> = As<sub>0.65</sub>P<sub>0.35</sub>. Symmetry codes: (i) <italic>x</italic>, −<italic>y</italic>, <italic>z</italic>; (ii) −<italic>x</italic>, <italic>y</italic>, −<italic>z</italic>; (iii) −<italic>x</italic>, −<italic>y</italic>, −<italic>z</italic>; (iv) −<inline-formula><inline-graphic xlink:href="e-72-00495-efi1.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula> − <italic>x</italic>, <inline-formula><inline-graphic xlink:href="e-72-00495-efi1.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula> − <italic>y</italic>, <italic>z</italic>; (v) −<inline-formula><inline-graphic xlink:href="e-72-00495-efi1.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula> − <italic>x</italic>, <inline-formula><inline-graphic xlink:href="e-72-00495-efi1.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula> − <italic>y</italic>, −<italic>z</italic>; (vi) −1 − <italic>x</italic>, <italic>y</italic>, −<italic>z</italic>.]</p></caption><graphic xlink:href="e-72-00495-fig2"></graphic></fig><fig id="fig3" position="float"><label>Figure 3</label><caption><p>The structure of the title compound viewed appoximately along [100], showing the tunnels and the Na<sup>+</sup> cations.</p></caption><graphic xlink:href="e-72-00495-fig3"></graphic></fig><table-wrap id="table1" position="float"><label>Table 1</label><caption><title>BVS and CHARDI analysis of cation polyhedra in the title compound (the structure described as being built of cation-centred polyhedra)</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>)·sof<italic>i</italic></th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>Vi</italic></th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>Qi</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></tr></thead><tbody valign="top"><tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>M</italic><sub>A</sub></td><td rowspan="1" colspan="1" align="left" valign="top">2.81</td><td rowspan="1" colspan="1" align="left" valign="top">2.97</td><td rowspan="1" colspan="1" align="left" valign="top">2.91</td><td rowspan="1" colspan="1" align="left" valign="top">6</td><td rowspan="1" colspan="1" align="left" valign="top">5.92</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>M</italic><sub>B</sub></td><td rowspan="1" colspan="1" align="left" valign="top">1.61</td><td rowspan="1" colspan="1" align="left" valign="top">1.31</td><td rowspan="1" colspan="1" align="left" valign="top">1.58</td><td rowspan="1" colspan="1" align="left" valign="top">4</td><td rowspan="1" colspan="1" align="left" valign="top">3.95</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">Co3</td><td rowspan="1" colspan="1" align="left" valign="top">2.00</td><td rowspan="1" colspan="1" align="left" valign="top">2.05</td><td rowspan="1" colspan="1" align="left" valign="top">1.99</td><td rowspan="1" colspan="1" align="left" valign="top">6</td><td rowspan="1" colspan="1" align="left" valign="top">5.88</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>M</italic><sub>C</sub></td><td rowspan="1" colspan="1" align="left" valign="top">5.00</td><td rowspan="1" colspan="1" align="left" valign="top">5.21</td><td rowspan="1" colspan="1" align="left" valign="top">5.00</td><td rowspan="1" colspan="1" align="left" valign="top">4</td><td rowspan="1" colspan="1" align="left" valign="top">3.97</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">As2</td><td rowspan="1" colspan="1" align="left" valign="top">5.00</td><td rowspan="1" colspan="1" align="left" valign="top">5</td><td rowspan="1" colspan="1" align="left" valign="top">5.09</td><td rowspan="1" colspan="1" align="left" valign="top">4</td><td rowspan="1" colspan="1" align="left" valign="top">3.98</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">Na1</td><td rowspan="1" colspan="1" align="left" valign="top">0.50</td><td rowspan="1" colspan="1" align="left" valign="top">0.51</td><td rowspan="1" colspan="1" align="left" valign="top">0.49</td><td rowspan="1" colspan="1" align="left" valign="top">5</td><td rowspan="1" colspan="1" align="left" valign="top">4.53</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">Na2</td><td rowspan="1" colspan="1" align="left" valign="top">0.50</td><td rowspan="1" colspan="1" align="left" valign="top">0.52</td><td rowspan="1" colspan="1" align="left" valign="top">0.49</td><td rowspan="1" colspan="1" align="left" valign="top">7</td><td rowspan="1" colspan="1" align="left" valign="top">6.18</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">Na31</td><td rowspan="1" colspan="1" align="left" valign="top">0.23</td><td rowspan="1" colspan="1" align="left" valign="top">0.23</td><td rowspan="1" colspan="1" align="left" valign="top">0.23</td><td rowspan="1" colspan="1" align="left" valign="top">7</td><td rowspan="1" colspan="1" align="left" valign="top">6.06</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">Na32</td><td rowspan="1" colspan="1" align="left" valign="top">0.27</td><td rowspan="1" colspan="1" align="left" valign="top">0.28</td><td rowspan="1" colspan="1" align="left" valign="top">0.27</td><td rowspan="1" colspan="1" align="left" valign="top">6</td><td rowspan="1" colspan="1" align="left" valign="top">5.31</td></tr></tbody></table><table-wrap-foot><p>Notes: <italic>M</italic><sub>A</sub> = Co<sub>0.189</sub>Al<sub>0.811</sub>; <italic>M</italic><sub>B</sub> = Co<sub>0.605</sub>Al<sub>0.135</sub>□<sub>0.260</sub>; <italic>M</italic><sub>c</sub> = As<sub>0.65</sub>P<sub>0.35</sub>; <italic>q</italic> is the formal oxidation number; sof is the site-occupation factor; MAPD = 1% [the mean absolute percentage deviation MAPD measures the agreement between <italic>q</italic> and <italic>Q</italic>; for more information, see Nespolo (2016<xref ref-type="bibr" rid="bb18"> ▸</xref>)].</p></table-wrap-foot></table-wrap><table-wrap id="table2" position="float"><label>Table 2</label><caption><title>Experimental details</title></caption><table frame="hsides" rules="groups"><tbody valign="top"><tr><td rowspan="1" colspan="2" align="left" valign="top">Crystal data</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">Chemical formula</td><td rowspan="1" colspan="1" align="left" valign="top">Na<sub>4</sub>Co<sub>5.40</sub>Al<sub>1.07</sub>(As<sub>0.883</sub>P<sub>0.116</sub>O<sub>4</sub>)<sub>6</sub></td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>M</italic><sub>r</sub></td><td rowspan="1" colspan="1" align="left" valign="top">1242.08</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">Crystal system, space group</td><td rowspan="1" colspan="1" align="left" valign="top">Monoclinic, <italic>C</italic>2/<italic>m</italic></td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">Temperature (K)</td><td rowspan="1" colspan="1" align="left" valign="top">293</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>a</italic>, <italic>b</italic>, <italic>c</italic> (Å)</td><td rowspan="1" colspan="1" align="left" valign="top">10.5797 (2), 14.5528 (3), 6.6441 (3)</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">β (°)</td><td rowspan="1" colspan="1" align="left" valign="top">105.608 (9)</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>V</italic> (Å<sup>3</sup>)</td><td rowspan="1" colspan="1" align="left" valign="top">985.23 (7)</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>Z</italic></td><td rowspan="1" colspan="1" align="left" valign="top">2</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">Radiation type</td><td rowspan="1" colspan="1" align="left" valign="top">Mo <italic>K</italic>α</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">μ (mm<sup>−1</sup>)</td><td rowspan="1" colspan="1" align="left" valign="top">13.60</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">Crystal size (mm)</td><td rowspan="1" colspan="1" align="left" valign="top">0.30 × 0.20 × 0.20</td></tr><tr><td rowspan="1" colspan="2" align="left" valign="top"> </td></tr><tr><td rowspan="1" colspan="2" align="left" valign="top">Data collection</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">Diffractometer</td><td rowspan="1" colspan="1" align="left" valign="top">Enraf–Nonius CAD-4</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">Absorption correction</td><td rowspan="1" colspan="1" align="left" valign="top">ψ scan (North <italic>et al.</italic>, 1968<xref ref-type="bibr" rid="bb19"> ▸</xref>)</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>T</italic><sub>min</sub>, <italic>T</italic><sub>max</sub></td><td rowspan="1" colspan="1" align="left" valign="top">0.055, 0.140</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">No. of measured, independent and observed [<italic>I</italic> > 2σ(<italic>I</italic>)] reflections</td><td rowspan="1" colspan="1" align="left" valign="top">2409, 1124, 894</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>R</italic><sub>int</sub></td><td rowspan="1" colspan="1" align="left" valign="top">0.027</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">(sin θ/λ)<sub>max</sub> (Å<sup>−1</sup>)</td><td rowspan="1" colspan="1" align="left" valign="top">0.638</td></tr><tr><td rowspan="1" colspan="2" align="left" valign="top"> </td></tr><tr><td rowspan="1" colspan="2" align="left" valign="top">Refinement</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>R</italic>[<italic>F</italic><sup>2</sup> > 2σ(<italic>F</italic><sup>2</sup>)], <italic>wR</italic>(<italic>F</italic><sup>2</sup>), <italic>S</italic></td><td rowspan="1" colspan="1" align="left" valign="top">0.030, 0.083, 1.07</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">No. of reflections</td><td rowspan="1" colspan="1" align="left" valign="top">1124</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">No. of parameters</td><td rowspan="1" colspan="1" align="left" valign="top">117</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">No. of restraints</td><td rowspan="1" colspan="1" align="left" valign="top">2</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">Δρ<sub>max</sub>, Δρ<sub>min</sub> (e Å<sup>−3</sup>)</td><td rowspan="1" colspan="1" align="left" valign="top">0.81, −0.85</td></tr></tbody></table><table-wrap-foot><p>Computer programs: <italic>CAD-4 EXPRESS</italic> (Duisenberg, 1992<xref ref-type="bibr" rid="bb7"> ▸</xref>; Macíček & Yordanov, 1992<xref ref-type="bibr" rid="bb13"> ▸</xref>), <italic>XCAD4</italic> (Harms & Wocadlo, 1995<xref ref-type="bibr" rid="bb10"> ▸</xref>), <italic>SHELXS97</italic> and <italic>SHELXL97</italic> (Sheldrick, 2008<xref ref-type="bibr" rid="bb20"> ▸</xref>), <italic>DIAMOND</italic> (Brandenburg, 2006<xref ref-type="bibr" rid="bb4"> ▸</xref>), <italic>WinGX</italic> (Farrugia, 2012<xref ref-type="bibr" rid="bb9"> ▸</xref>) and <italic>publCIF</italic> (Westrip, 2010<xref ref-type="bibr" rid="bb21"> ▸</xref>).</p></table-wrap-foot></table-wrap></floats-group></pmc></record>Pour manipuler ce 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