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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Na<sub>3</sub>Al(AsO<sub>4</sub>)<sub>2</sub></title><author><name sortKey="Fakhar Bourguiba, Noura" sort="Fakhar Bourguiba, Noura" uniqKey="Fakhar Bourguiba N" first="Noura" last="Fakhar Bourguiba">Noura Fakhar Bourguiba</name><affiliation><nlm:aff id="a">Laboratoire de Matériaux et Cristallochimie, Faculté des Sciences de Tunis, Université de Tunis ElManar, 2092 ElManar II Tunis,<country>Tunisia</country></nlm:aff></affiliation></author><author><name sortKey="Zid, Mohamed Faouzi" sort="Zid, Mohamed Faouzi" uniqKey="Zid M" first="Mohamed Faouzi" last="Zid">Mohamed Faouzi Zid</name><affiliation><nlm:aff id="a">Laboratoire de Matériaux et Cristallochimie, Faculté des Sciences de Tunis, Université de Tunis ElManar, 2092 ElManar II Tunis,<country>Tunisia</country></nlm:aff></affiliation></author><author><name sortKey="Driss, Ahmed" sort="Driss, Ahmed" uniqKey="Driss A" first="Ahmed" last="Driss">Ahmed Driss</name><affiliation><nlm:aff id="a">Laboratoire de Matériaux et Cristallochimie, Faculté des Sciences de Tunis, Université de Tunis ElManar, 2092 ElManar II Tunis,<country>Tunisia</country></nlm:aff></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PMC</idno><idno type="pmid">23424394</idno><idno type="pmc">3569176</idno><idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3569176</idno><idno type="RBID">PMC:3569176</idno><idno type="doi">10.1107/S1600536813002213</idno><date when="2013">2013</date><idno type="wicri:Area/Pmc/Corpus">000360</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000360</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">Na<sub>3</sub>Al(AsO<sub>4</sub>)<sub>2</sub></title><author><name sortKey="Fakhar Bourguiba, Noura" sort="Fakhar Bourguiba, Noura" uniqKey="Fakhar Bourguiba N" first="Noura" last="Fakhar Bourguiba">Noura Fakhar Bourguiba</name><affiliation><nlm:aff id="a">Laboratoire de Matériaux et Cristallochimie, Faculté des Sciences de Tunis, Université de Tunis ElManar, 2092 ElManar II Tunis,<country>Tunisia</country></nlm:aff></affiliation></author><author><name sortKey="Zid, Mohamed Faouzi" sort="Zid, Mohamed Faouzi" uniqKey="Zid M" first="Mohamed Faouzi" last="Zid">Mohamed Faouzi Zid</name><affiliation><nlm:aff id="a">Laboratoire de Matériaux et Cristallochimie, Faculté des Sciences de Tunis, Université de Tunis ElManar, 2092 ElManar II Tunis,<country>Tunisia</country></nlm:aff></affiliation></author><author><name sortKey="Driss, Ahmed" sort="Driss, Ahmed" uniqKey="Driss A" first="Ahmed" last="Driss">Ahmed Driss</name><affiliation><nlm:aff id="a">Laboratoire de Matériaux et Cristallochimie, Faculté des Sciences de Tunis, Université de Tunis ElManar, 2092 ElManar II Tunis,<country>Tunisia</country></nlm:aff></affiliation></author></analytic><series><title level="j">Acta Crystallographica Section E: Structure Reports Online</title><idno type="eISSN">1600-5368</idno><imprint><date when="2013">2013</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p>The structure of the title compound trisodium aluminium bis(arsenate), Na<sub>3</sub>Al(AsO<sub>4</sub>)<sub>2</sub>, is built up from AlO<sub>4</sub> and AsO<sub>4</sub> corner-sharing tetrahedra, forming an undulating two-dimensional framework parallel to (100). The layers are constituted of large Al<sub>6</sub>As<sub>6</sub>O<sub>36</sub> rings made up from six AlO<sub>4</sub> and AsO<sub>4</sub> tetrahedra in which two sodium cations are situated, the third sodium cation being located in the interlayer space. The structural relationships between the title compound and Na<sub>3</sub>Fe(PO<sub>4</sub>)<sub>2</sub>, NaAlCo(PO<sub>4</sub>)<sub>2</sub> and Al<sub>5</sub>Co<sub>3</sub>(PO<sub>4</sub>)<sub>8</sub> are discussed.</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></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">23424394</article-id><article-id pub-id-type="pmc">3569176</article-id><article-id pub-id-type="publisher-id">vn2065</article-id><article-id pub-id-type="doi">10.1107/S1600536813002213</article-id><article-id pub-id-type="coden">ACSEBH</article-id><article-id pub-id-type="pii">S1600536813002213</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>Al(AsO<sub>4</sub>)<sub>2</sub></article-title><alt-title><italic>Na<sub>3</sub>Al(AsO<sub>4</sub>)<sub>2</sub></italic></alt-title></title-group><contrib-group><contrib contrib-type="author"><name><surname>Fakhar Bourguiba</surname><given-names>Noura</given-names></name><xref ref-type="aff" rid="a">a</xref></contrib><contrib contrib-type="author"><name><surname>Zid</surname><given-names>Mohamed Faouzi</given-names></name><xref ref-type="aff" rid="a">a</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 de Tunis, Université de Tunis ElManar, 2092 ElManar II Tunis,<country>Tunisia</country></aff></contrib-group><author-notes><corresp id="cor">Correspondence e-mail: <email>faouzi.zid@fst.rnu.tn</email></corresp></author-notes><pub-date pub-type="collection"><day>01</day><month>2</month><year>2013</year></pub-date><pub-date pub-type="epub"><day>31</day><month>1</month><year>2013</year></pub-date><pub-date pub-type="pmc-release"><day>31</day><month>1</month><year>2013</year></pub-date><pmc-comment> PMC Release delay is 0 months and 0 days and was based on the
<volume>69</volume><issue>Pt 2</issue><issue-id pub-id-type="publisher-id">e130200</issue-id><fpage>i14</fpage><lpage>i14</lpage><history><date date-type="received"><day>15</day><month>1</month><year>2013</year></date><date date-type="accepted"><day>22</day><month>1</month><year>2013</year></date></history><permissions><copyright-statement>© Fakhar Bourguiba et al. 2013</copyright-statement><copyright-year>2013</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/S1600536813002213">A full version of this article is available from Crystallography Journals Online.</self-uri><abstract><p>The structure of the title compound trisodium aluminium bis(arsenate), Na<sub>3</sub>Al(AsO<sub>4</sub>)<sub>2</sub>, is built up from AlO<sub>4</sub> and AsO<sub>4</sub> corner-sharing tetrahedra, forming an undulating two-dimensional framework parallel to (100). The layers are constituted of large Al<sub>6</sub>As<sub>6</sub>O<sub>36</sub> rings made up from six AlO<sub>4</sub> and AsO<sub>4</sub> tetrahedra in which two sodium cations are situated, the third sodium cation being located in the interlayer space. The structural relationships between the title compound and Na<sub>3</sub>Fe(PO<sub>4</sub>)<sub>2</sub>, NaAlCo(PO<sub>4</sub>)<sub>2</sub> and Al<sub>5</sub>Co<sub>3</sub>(PO<sub>4</sub>)<sub>8</sub> are discussed.</p></abstract></article-meta></front><body><sec id="sec1"><title>Related literature
</title><p>For open-framework structures, see: Colomban (1986<xref ref-type="bibr" rid="bb8"> ▶</xref>); Brunet <italic>et al.</italic> (2003<xref ref-type="bibr" rid="bb6"> ▶</xref>); Alamo & Roy (1984<xref ref-type="bibr" rid="bb1"> ▶</xref>); Delmas <italic>et al.</italic> (1987<xref ref-type="bibr" rid="bb9"> ▶</xref>). For details of the preparation, see: Driss & Jouini (1994<xref ref-type="bibr" rid="bb10"> ▶</xref>); Masquelier <italic>et al.</italic> (1995<xref ref-type="bibr" rid="bb15"> ▶</xref>). For closely related structures, see: Belkhiria <italic>et al.</italic> (1998<xref ref-type="bibr" rid="bb2"> ▶</xref>); Chen <italic>et al.</italic> (1997<xref ref-type="bibr" rid="bb7"> ▶</xref>); Bennet & Marcus (1988<xref ref-type="bibr" rid="bb3"> ▶</xref>). For bond-valence calculations, see: Brown & Altermatt (1985<xref ref-type="bibr" rid="bb5"> ▶</xref>).</p></sec><sec id="sec2"><title>Experimental
</title><sec id="sec2.1"><title></title><sec id="sec2.1.1"><title>Crystal data
</title><p><list list-type="simple"><list-item><p>Na<sub>3</sub>Al(AsO<sub>4</sub>)<sub>2</sub></p></list-item><list-item><p><italic>M</italic><italic><sub>r</sub></italic> = 373.79</p></list-item><list-item><p>Monoclinic, <inline-formula><inline-graphic xlink:href="e-69-00i14-efi3.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula></p></list-item><list-item><p><italic>a</italic> = 6.5948 (7) Å</p></list-item><list-item><p><italic>b</italic> = 11.8018 (9) Å</p></list-item><list-item><p><italic>c</italic> = 9.4692 (8) Å</p></list-item><list-item><p>β = 96.52 (1)°</p></list-item><list-item><p><italic>V</italic> = 732.23 (12) Å<sup>3</sup></p></list-item><list-item><p><italic>Z</italic> = 4</p></list-item><list-item><p>Mo <italic>K</italic>α radiation</p></list-item><list-item><p>μ = 9.44 mm<sup>−1</sup></p></list-item><list-item><p><italic>T</italic> = 298 K</p></list-item><list-item><p>0.28 × 0.18 × 0.12 mm</p></list-item></list></p></sec><sec id="sec2.1.2"><title>Data collection
</title><p><list list-type="simple"><list-item><p>Enraf–Nonius CAD-4 diffractometer</p></list-item><list-item><p>Absorption correction: ψ scan (North <italic>et al.</italic>, 1968<xref ref-type="bibr" rid="bb16"> ▶</xref>) <italic>T</italic><sub>min</sub> = 0.15, <italic>T</italic><sub>max</sub> = 0.32</p></list-item><list-item><p>2484 measured reflections</p></list-item><list-item><p>1596 independent reflections</p></list-item><list-item><p>1484 reflections with <italic>I</italic> > 2σ(<italic>I</italic>)</p></list-item><list-item><p><italic>R</italic><sub>int</sub> = 0.032</p></list-item><list-item><p>2 standard reflections every 120 min intensity decay: 1.2%</p></list-item></list></p></sec><sec id="sec2.1.3"><title>Refinement
</title><p><list list-type="simple"><list-item><p><italic>R</italic>[<italic>F</italic><sup>2</sup> > 2σ(<italic>F</italic><sup>2</sup>)] = 0.022</p></list-item><list-item><p><italic>wR</italic>(<italic>F</italic><sup>2</sup>) = 0.058</p></list-item><list-item><p><italic>S</italic> = 1.09</p></list-item><list-item><p>1596 reflections</p></list-item><list-item><p>128 parameters</p></list-item><list-item><p>Δρ<sub>max</sub> = 0.81 e Å<sup>−3</sup></p></list-item><list-item><p>Δρ<sub>min</sub> = −1.02 e Å<sup>−3</sup></p></list-item></list></p></sec></sec><sec id="d5e561"><title></title><p>Data collection: <italic>CAD-4 EXPRESS</italic> (Duisenberg, 1992<xref ref-type="bibr" rid="bb11"> ▶</xref>; Macíček & Yordanov, 1992<xref ref-type="bibr" rid="bb14"> ▶</xref>); cell refinement: <italic>CAD-4 EXPRESS</italic>; data reduction: <italic>XCAD4</italic> (Harms & Wocadlo, 1995<xref ref-type="bibr" rid="bb13"> ▶</xref>); program(s) used to solve structure: <italic>SHELXS97</italic> (Sheldrick, 2008<xref ref-type="bibr" rid="bb17"> ▶</xref>); program(s) used to refine structure: <italic>SHELXL97</italic> (Sheldrick, 2008<xref ref-type="bibr" rid="bb17"> ▶</xref>); molecular graphics: <italic>DIAMOND</italic> (Brandenburg, 1998<xref ref-type="bibr" rid="bb4"> ▶</xref>); software used to prepare material for publication: <italic>WinGX</italic> publication routines (Farrugia, 2012<xref ref-type="bibr" rid="bb12"> ▶</xref>).</p></sec></sec><sec sec-type="supplementary-material"><title>Supplementary Material</title><supplementary-material content-type="local-data"><media xlink:href="e-69-00i14-sup1.cif" mimetype="text" mime-subtype="plain"><caption><p>Click here for additional data file.</p></caption></media><p>Crystal structure: contains datablock(s) I. DOI: <ext-link ext-link-type="uri" xlink:href="http://dx.doi.org/10.1107/S1600536813002213/vn2065sup1.cif">10.1107/S1600536813002213/vn2065sup1.cif</ext-link></p><media xlink:href="e-69-00i14-sup1.cif" xlink:type="simple" id="d34e124" position="anchor" mimetype="text" mime-subtype="plain"></media></supplementary-material><supplementary-material content-type="local-data"><media xlink:href="e-69-00i14-Isup2.hkl" mimetype="text" mime-subtype="plain"><caption><p>Click here for additional data file.</p></caption></media><p>Structure factors: contains datablock(s) I. DOI: <ext-link ext-link-type="uri" xlink:href="http://dx.doi.org/10.1107/S1600536813002213/vn2065Isup2.hkl">10.1107/S1600536813002213/vn2065Isup2.hkl</ext-link></p><media xlink:href="e-69-00i14-Isup2.hkl" xlink:type="simple" id="d34e131" position="anchor" mimetype="text" mime-subtype="plain"></media></supplementary-material><supplementary-material content-type="local-data"><p>Additional supplementary materials: <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendsupfiles?vn2065&file=vn2065sup0.html&mime=text/html"> crystallographic information</ext-link>; <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendcif?vn2065sup1&Qmime=cif">3D view</ext-link>; <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/paper?vn2065&checkcif=yes">checkCIF report</ext-link></p></supplementary-material></sec></body><back><fn-group><fn id="fnu1"><p>Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendsup?vn2065">VN2065</ext-link>).</p></fn></fn-group><app-group><app><title>supplementary crystallographic
information</title><sec id="comment"><title>Comment </title><p>Les phosphates et les arséniates mixtes de métaux trivalents et des alcalins
présentent de nombreuses propriétés physico-chimiques en relation avec
leurs structures. La famille des composés de type <italic>M</italic>'<italic>M</italic>(XO<sub>4</sub>)<sub>3</sub>(<italic>M</italic>'=alcalin; <italic>M</italic>=Al, Fe, Cr, Ga, <italic>etc</italic>; <italic>X</italic>=P, As) de
structure nasicon sont des matériaux attractifs dans des domaines variés
de la chimie des solides: conductivité ionique, céramique à faible
coefficient de dilatation thermique et intercalation (Colomban, 1986;
Brunet
<italic>et al.</italic>, 2003; Alamo <italic>et al.</italic>, 1984; Delmas <italic>et
al.</italic>, 1987).
Dans ce cadre et en vue de synthétiser de nouveaux matériaux à
charpentes ouvertes, nous avons entrepris l'exploration du système
Na–Al–As–O dans lequel différentes phases ont été isolées:
NaAl<sub>2</sub>As<sub>2</sub>O<sub>7</sub> (Driss <italic>et al.</italic>, 1994), Na<sub>3</sub>Al<sub>2</sub>(AsO<sub>4</sub>)<sub>3</sub>(Masquelier <italic>et al.</italic>, 1995). Une nouvelle phase de formulation
Na<sub>3</sub>Al(AsO<sub>4</sub>)<sub>2</sub> a été synthétisée par réaction à l'état
solide. L'unité asymétrique, dans le composé étudié, renferme un
tétraèdre AlO<sub>4</sub> lié par mise en commun de sommets à deux pyramides
AsO<sub>4</sub> (Fig. 1). Il en résulte l'unité linéaire AlAs<sub>2</sub>O<sub>10</sub>. La
jonction de ces dernières, par formation de ponts mixtes Al–O–As, conduit
vers des couches ondulées parallèles au plan (100) (Fig. 2). En effet,
l'examen de ces feuillets révèle la présence de larges cycles de
formulation Al<sub>6</sub>As<sub>6</sub>O<sub>36</sub> constitués par six pyramides AsO<sub>4</sub> et six
AlO<sub>4</sub> (Fig 3). De plus, on peut signaler qu'au sein d'une couche, chaque
tétraèdre AlO<sub>4</sub> partage tous ses sommets oxygène avec respectivement
quatre tétraèdres AsO<sub>4</sub> différents. Cependant une pyramide AsO<sub>4</sub>n'engage que deux de ses sommets dans les ponts mixtes As–O–Al. Les deux
autres restant libres sont orientés vers l'espace intercouches où
résident les cations Na<sup>+</sup> (Fig. 4). L'examen des facteurs géométriques
dans la structure montre qu'ils sont conformes à ceux rencontrés dans la
littérature (Driss <italic>et al.</italic>, 1994; Masquelier <italic>et al.</italic>,
1995). De
plus, l'utilisation de la méthode BVS, pour le calcul des différentes
valences des liaisons, en utilisant la formule empirique de Brown (Brown &
Altermatt, 1985) vérifie bien les valeurs attendues de charges des
ions:
Al1(2,846), As1(4,971), As2(4,923), Na1(1,069), Na2(1,038) et Na3(1,027). La
comparaison de la structure de Na<sub>3</sub>Al(AsO<sub>4</sub>)<sub>2</sub> avec celle rencontrée dans
la littérature et de formulation analogue Na<sub>3</sub>Fe(PO<sub>4</sub>)<sub>2</sub> (Belkhiria <italic>et
al.</italic>, 1998) révèle une différence nette dans la disposition
des
polyèdres. En effet, on note que la structure de l'arséniate est formée
uniquement par un assemblage de tétraèdres AsO<sub>4</sub> et AlO<sub>4</sub> alors que
celle du phosphate de fer est constituée par une succession de couches
parallèles formées d'octaèdres FeO<sub>6</sub> et de tétraèdres AsO<sub>4</sub>partageant des sommets. Par contre, la comparaison de la structure étudiée
avec celles des phosphates de cobalt de formulation NaAlCo(PO<sub>4</sub>)<sub>2</sub> (Chen
<italic>et al.</italic>, 1997) et Al<sub>5</sub>Co<sub>3</sub>(PO<sub>4</sub>)<sub>8</sub> (Bennet <italic>et al.</italic>,
1988),
montre des points de ressemblance. En effet, dans chacune des structures les
couches sont formées uniquement par des tétraèdres (As/P)O<sub>4</sub> et
(Al/Co)O<sub>4</sub> mettant en commun des sommets. Cependant, ces structures
présentent des différences: dans notre composé, on distingue que la
connexion entre couches est assurée par les polyèdres de cations alcalins
conduisant à une structure bidimensionnelle. Par contre, dans les composés
NaAlCo(PO<sub>4</sub>)<sub>2</sub> et Al<sub>5</sub>Co<sub>3</sub>(PO<sub>4</sub>)<sub>8</sub>, on remarque que la connexion entre
les couches est réalisée uniquement par ponts (As/P)–O–(Al/Co)
permettant de décrire la structure comme une structure tridimensionnelle.
Dans notre composé, seuls les tétraèdres AsO<sub>4</sub> engagent tous leurs
sommets dans des liaisons de type As–O–Al, alors que les tétraèdres
AlO<sub>4</sub> n'engagent que deux de leurs sommets dans ce type de liaisons.
Cependant, dans les composés NaAlCo(PO<sub>4</sub>)<sub>2</sub> et Al<sub>5</sub>Co<sub>3</sub>(PO<sub>4</sub>)<sub>8</sub>, tous
les tétraèdres PO<sub>4</sub> et (Al/Co)O<sub>4</sub> engagent tous leurs sommetes dans les
ponts mixtes P–O–(Al/Co).</p></sec><sec id="experimental"><title>Experimental </title><p>Les cristaux relatifs à la phase Na<sub>3</sub>Al(AsO<sub>4</sub>)<sub>2</sub> ont été obtenus à
partir des réactifs: NaHCO<sub>3</sub> (Prolabo, 27778), Al<sub>2</sub>O<sub>3</sub> (Riedel-De Haen,
167305), NH<sub>4</sub>H<sub>2</sub>AsO<sub>4</sub> (préparé au laboratoire, JCPDS-775), pris dans
les proportions molaires: Na:Al:As=5:1:3. Le mélange, finement broyé, a
été mis dans un creuset en porcelaine, placé dans un four puis
préchauffé à l'air à 623 K pendant 24 heures en vue d'éliminer les
composés volatils. Il est ensuite porté, par palier de 100 degrés suivi
de broyage, jusqu'à une température de synthèse proche de la fusion, 973 K. Le mélange est alors abandonné à cette température pendant une
semaine pour favoriser la germination et la croissance des cristaux. Le
résidu final a subi en premier un refroidissement lent (5°/demi journée,
à 873 K) puis un second rapide (50°/h) jusqu'à la température ambiante.
Des cristaux transparents, de forme prismatique, de contour net et de taille
suffisante pour les mesures des intensités, ont été séparés du flux
par des lavages successifs à l'eau chaude.</p></sec><sec id="refinement"><title>Refinement </title><p>La collecte a été effectuée dans le système monoclinique de groupe
d'espace <italic>P</italic>2<sub>1</sub>/a. L'affinement a été conduit sans problème. Une
transformation vers le groupe conventionnel <italic>P</italic>2<sub>1</sub>/c s'avère
nécessaire avant l'affinement final. À la fin de l'affinement structural
un examen de la Fourier différence finale ne révèle la présence
d'aucun pic d'intensité significative. L'affinement de tous les facteurs
thermiques anisotropes conduit à des ellipsoïdes bien définis. De plus,
les densités d'électrons maximum et minimum restants dans la Fourier
différence sont acceptables et sont situées respectivement à 0,86 Å de As1 et à 0,87 Å de As2.</p></sec><sec id="figures"><title>Figures</title><fig id="Fap1"><label>Fig. 1.</label><caption><p>Unité asymétrique dans Na3Al(AsO4)2. Les ellipsoïdes ont été définis avec 50% de probabilités. [codes de symétrie:(i) x, 1/2 - y, 1/2 + z; (ii) 2 - x, 2 - y, 1 - z].</p></caption><graphic xlink:href="e-69-00i14-fig1"></graphic></fig><fig id="Fap2"><label>Fig. 2.</label><caption><p>Projection de la structure selon la direction [001] montrant les couches ondulées disposées selon le plan (100).</p></caption><graphic xlink:href="e-69-00i14-fig2"></graphic></fig><fig id="Fap3"><label>Fig. 3.</label><caption><p>Vue de la structure selon [100] montrant les différents cycles Al6As6O36 où sont disposés les cations excentrés.</p></caption><graphic xlink:href="e-69-00i14-fig3"></graphic></fig><fig id="Fap4"><label>Fig. 4.</label><caption><p>Projection de la structure de Na3Al(AsO4)2 selon [010] montrant l'espace intercouches où sont logés les cations Na2.</p></caption><graphic xlink:href="e-69-00i14-fig4"></graphic></fig></sec><sec id="tablewrapcrystaldatalong"><title>Crystal data</title><table-wrap position="anchor" id="d1e441"><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>3</sub>Al(AsO<sub>4</sub>)<sub>2</sub></td><td rowspan="1" colspan="1"><italic>F</italic>(000) = 704</td></tr><tr><td rowspan="1" colspan="1"><italic>M</italic><italic><sub>r</sub></italic> = 373.79</td><td rowspan="1" colspan="1"><italic>D</italic><sub>x</sub> = 3.391 Mg m<sup>−</sup><sup>3</sup></td></tr><tr><td rowspan="1" colspan="1">Monoclinic, <italic>P</italic>2<sub>1</sub>/<italic>c</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">Hall symbol: -P 2ybc</td><td rowspan="1" colspan="1">Cell parameters from 25 reflections</td></tr><tr><td rowspan="1" colspan="1"><italic>a</italic> = 6.5948 (7) Å</td><td rowspan="1" colspan="1">θ = 10–15°</td></tr><tr><td rowspan="1" colspan="1"><italic>b</italic> = 11.8018 (9) Å</td><td rowspan="1" colspan="1">µ = 9.44 mm<sup>−</sup><sup>1</sup></td></tr><tr><td rowspan="1" colspan="1"><italic>c</italic> = 9.4692 (8) Å</td><td rowspan="1" colspan="1"><italic>T</italic> = 298 K</td></tr><tr><td rowspan="1" colspan="1">β = 96.52 (1)°</td><td rowspan="1" colspan="1">Prism, colourless</td></tr><tr><td rowspan="1" colspan="1"><italic>V</italic> = 732.23 (12) Å<sup>3</sup></td><td rowspan="1" colspan="1">0.28 × 0.18 × 0.12 mm</td></tr><tr><td rowspan="1" colspan="1"><italic>Z</italic> = 4</td><td rowspan="1" colspan="1"></td></tr></table></table-wrap></sec><sec id="tablewrapdatacollectionlong"><title>Data collection</title><table-wrap position="anchor" id="d1e568"><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">1484 reflections with <italic>I</italic> > 2σ(<italic>I</italic>)</td></tr><tr><td rowspan="1" colspan="1">Radiation source: fine-focus sealed tube</td><td rowspan="1" colspan="1"><italic>R</italic><sub>int</sub> = 0.032</td></tr><tr><td rowspan="1" colspan="1">Graphite monochromator</td><td rowspan="1" colspan="1">θ<sub>max</sub> = 27.0°, θ<sub>min</sub> = 2.8°</td></tr><tr><td rowspan="1" colspan="1">ω/2θ scans</td><td rowspan="1" colspan="1"><italic>h</italic> = −8→2</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>k</italic> = −15→1</td></tr><tr><td rowspan="1" colspan="1"><italic>T</italic><sub>min</sub> = 0.15, <italic>T</italic><sub>max</sub> = 0.32</td><td rowspan="1" colspan="1"><italic>l</italic> = −12→12</td></tr><tr><td rowspan="1" colspan="1">2484 measured reflections</td><td rowspan="1" colspan="1">2 standard reflections every 120 min</td></tr><tr><td rowspan="1" colspan="1">1596 independent reflections</td><td rowspan="1" colspan="1"> intensity decay: 1.2%</td></tr></table></table-wrap></sec><sec id="tablewraprefinementdatalong"><title>Refinement</title><table-wrap position="anchor" id="d1e693"><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">Primary atom site location: structure-invariant direct methods</td></tr><tr><td rowspan="1" colspan="1">Least-squares matrix: full</td><td rowspan="1" colspan="1">Secondary atom site location: difference Fourier map</td></tr><tr><td rowspan="1" colspan="1"><italic>R</italic>[<italic>F</italic><sup>2</sup> > 2σ(<italic>F</italic><sup>2</sup>)] = 0.022</td><td rowspan="1" colspan="1"><italic>w</italic> = 1/[σ<sup>2</sup>(<italic>F</italic><sub>o</sub><sup>2</sup>) + (0.0289<italic>P</italic>)<sup>2</sup> + 1.1813<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>) = 0.058</td><td rowspan="1" colspan="1">(Δ/σ)<sub>max</sub> = 0.001</td></tr><tr><td rowspan="1" colspan="1"><italic>S</italic> = 1.09</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">1596 reflections</td><td rowspan="1" colspan="1">Δρ<sub>min</sub> = −1.02 e Å<sup>−</sup><sup>3</sup></td></tr><tr><td rowspan="1" colspan="1">128 parameters</td><td rowspan="1" colspan="1">Extinction correction: <italic>SHELXL</italic>, Fc<sup>*</sup>=kFc[1+0.001xFc<sup>2</sup>λ<sup>3</sup>/sin(2θ)]<sup>-1/4</sup></td></tr><tr><td rowspan="1" colspan="1">0 restraints</td><td rowspan="1" colspan="1">Extinction coefficient: 0.0400 (12)</td></tr></table></table-wrap></sec><sec id="specialdetails"><title>Special details</title><table-wrap position="anchor" id="d1e869"><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><tr><td rowspan="1" colspan="1">Refinement. Refinement of <italic>F</italic><sup>2</sup> against ALL reflections. The weighted <italic>R</italic>-factor
<italic>wR</italic> and goodness of fit <italic>S</italic> are based on <italic>F</italic><sup>2</sup>, conventional
<italic>R</italic>-factors <italic>R</italic> are based on <italic>F</italic>, with <italic>F</italic> set to zero for
negative <italic>F</italic><sup>2</sup>. The threshold expression of <italic>F</italic><sup>2</sup> >
σ(<italic>F</italic><sup>2</sup>) is used only for calculating <italic>R</italic>-factors(gt) <italic>etc</italic>.
and is not relevant to the choice of reflections for refinement.
<italic>R</italic>-factors based on <italic>F</italic><sup>2</sup> are statistically about twice as large
as those based on <italic>F</italic>, and <italic>R</italic>- factors based on ALL data will be
even larger.</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="d1e968"><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"></td></tr><tr><td rowspan="1" colspan="1">As1</td><td rowspan="1" colspan="1">0.86449 (4)</td><td rowspan="1" colspan="1">0.67433 (2)</td><td rowspan="1" colspan="1">0.37764 (3)</td><td rowspan="1" colspan="1">0.00605 (12)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">As2</td><td rowspan="1" colspan="1">0.60661 (4)</td><td rowspan="1" colspan="1">0.41481 (3)</td><td rowspan="1" colspan="1">0.17808 (3)</td><td rowspan="1" colspan="1">0.00626 (12)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">Al1</td><td rowspan="1" colspan="1">0.28023 (13)</td><td rowspan="1" colspan="1">0.14677 (8)</td><td rowspan="1" colspan="1">0.43819 (9)</td><td rowspan="1" colspan="1">0.00571 (19)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">Na1</td><td rowspan="1" colspan="1">0.2321 (2)</td><td rowspan="1" colspan="1">0.84727 (12)</td><td rowspan="1" colspan="1">0.63044 (15)</td><td rowspan="1" colspan="1">0.0168 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">Na2</td><td rowspan="1" colspan="1">0.9037 (2)</td><td rowspan="1" colspan="1">0.91868 (11)</td><td rowspan="1" colspan="1">0.21472 (15)</td><td rowspan="1" colspan="1">0.0149 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">Na3</td><td rowspan="1" colspan="1">0.6231 (2)</td><td rowspan="1" colspan="1">0.39550 (13)</td><td rowspan="1" colspan="1">0.52395 (16)</td><td rowspan="1" colspan="1">0.0201 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O1</td><td rowspan="1" colspan="1">0.7295 (3)</td><td rowspan="1" colspan="1">0.59717 (19)</td><td rowspan="1" colspan="1">0.4790 (2)</td><td rowspan="1" colspan="1">0.0126 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O2</td><td rowspan="1" colspan="1">0.9149 (3)</td><td rowspan="1" colspan="1">0.80210 (19)</td><td rowspan="1" colspan="1">0.4647 (2)</td><td rowspan="1" colspan="1">0.0091 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O3</td><td rowspan="1" colspan="1">0.4121 (3)</td><td rowspan="1" colspan="1">0.4885 (2)</td><td rowspan="1" colspan="1">0.2261 (3)</td><td rowspan="1" colspan="1">0.0131 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O4</td><td rowspan="1" colspan="1">0.2312 (3)</td><td rowspan="1" colspan="1">0.00301 (19)</td><td rowspan="1" colspan="1">0.4010 (2)</td><td rowspan="1" colspan="1">0.0102 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O5</td><td rowspan="1" colspan="1">0.0778 (3)</td><td rowspan="1" colspan="1">0.6176 (2)</td><td rowspan="1" colspan="1">0.3349 (2)</td><td rowspan="1" colspan="1">0.0113 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O6</td><td rowspan="1" colspan="1">0.5203 (3)</td><td rowspan="1" colspan="1">0.32759 (18)</td><td rowspan="1" colspan="1">0.0365 (2)</td><td rowspan="1" colspan="1">0.0098 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O7</td><td rowspan="1" colspan="1">0.7477 (3)</td><td rowspan="1" colspan="1">0.34378 (19)</td><td rowspan="1" colspan="1">0.3040 (2)</td><td rowspan="1" colspan="1">0.0123 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O8</td><td rowspan="1" colspan="1">0.7236 (3)</td><td rowspan="1" colspan="1">0.71895 (19)</td><td rowspan="1" colspan="1">0.2241 (2)</td><td rowspan="1" colspan="1">0.0116 (5)</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="d1e1173"><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">As1</td><td rowspan="1" colspan="1">0.00779 (17)</td><td rowspan="1" colspan="1">0.00666 (18)</td><td rowspan="1" colspan="1">0.00357 (17)</td><td rowspan="1" colspan="1">0.00099 (10)</td><td rowspan="1" colspan="1">0.00013 (11)</td><td rowspan="1" colspan="1">−0.00017 (10)</td></tr><tr><td rowspan="1" colspan="1">As2</td><td rowspan="1" colspan="1">0.00722 (17)</td><td rowspan="1" colspan="1">0.00686 (18)</td><td rowspan="1" colspan="1">0.00430 (18)</td><td rowspan="1" colspan="1">0.00007 (10)</td><td rowspan="1" colspan="1">−0.00108 (11)</td><td rowspan="1" colspan="1">0.00082 (10)</td></tr><tr><td rowspan="1" colspan="1">Al1</td><td rowspan="1" colspan="1">0.0066 (4)</td><td rowspan="1" colspan="1">0.0071 (4)</td><td rowspan="1" colspan="1">0.0032 (4)</td><td rowspan="1" colspan="1">0.0002 (3)</td><td rowspan="1" colspan="1">−0.0009 (3)</td><td rowspan="1" colspan="1">−0.0007 (3)</td></tr><tr><td rowspan="1" colspan="1">Na1</td><td rowspan="1" colspan="1">0.0191 (7)</td><td rowspan="1" colspan="1">0.0168 (7)</td><td rowspan="1" colspan="1">0.0155 (7)</td><td rowspan="1" colspan="1">−0.0028 (5)</td><td rowspan="1" colspan="1">0.0064 (5)</td><td rowspan="1" colspan="1">−0.0036 (6)</td></tr><tr><td rowspan="1" colspan="1">Na2</td><td rowspan="1" colspan="1">0.0146 (6)</td><td rowspan="1" colspan="1">0.0155 (7)</td><td rowspan="1" colspan="1">0.0145 (7)</td><td rowspan="1" colspan="1">0.0011 (5)</td><td rowspan="1" colspan="1">0.0012 (5)</td><td rowspan="1" colspan="1">0.0002 (5)</td></tr><tr><td rowspan="1" colspan="1">Na3</td><td rowspan="1" colspan="1">0.0125 (6)</td><td rowspan="1" colspan="1">0.0265 (8)</td><td rowspan="1" colspan="1">0.0205 (7)</td><td rowspan="1" colspan="1">0.0017 (6)</td><td rowspan="1" colspan="1">−0.0013 (5)</td><td rowspan="1" colspan="1">−0.0017 (6)</td></tr><tr><td rowspan="1" colspan="1">O1</td><td rowspan="1" colspan="1">0.0131 (10)</td><td rowspan="1" colspan="1">0.0150 (11)</td><td rowspan="1" colspan="1">0.0101 (11)</td><td rowspan="1" colspan="1">−0.0012 (9)</td><td rowspan="1" colspan="1">0.0033 (8)</td><td rowspan="1" colspan="1">0.0031 (9)</td></tr><tr><td rowspan="1" colspan="1">O2</td><td rowspan="1" colspan="1">0.0114 (10)</td><td rowspan="1" colspan="1">0.0079 (9)</td><td rowspan="1" colspan="1">0.0080 (10)</td><td rowspan="1" colspan="1">0.0004 (8)</td><td rowspan="1" colspan="1">0.0011 (8)</td><td rowspan="1" colspan="1">−0.0045 (9)</td></tr><tr><td rowspan="1" colspan="1">O3</td><td rowspan="1" colspan="1">0.0116 (10)</td><td rowspan="1" colspan="1">0.0130 (11)</td><td rowspan="1" colspan="1">0.0154 (11)</td><td rowspan="1" colspan="1">0.0022 (9)</td><td rowspan="1" colspan="1">0.0053 (9)</td><td rowspan="1" colspan="1">−0.0017 (9)</td></tr><tr><td rowspan="1" colspan="1">O4</td><td rowspan="1" colspan="1">0.0107 (10)</td><td rowspan="1" colspan="1">0.0091 (10)</td><td rowspan="1" colspan="1">0.0108 (10)</td><td rowspan="1" colspan="1">0.0014 (8)</td><td rowspan="1" colspan="1">0.0016 (8)</td><td rowspan="1" colspan="1">−0.0018 (9)</td></tr><tr><td rowspan="1" colspan="1">O5</td><td rowspan="1" colspan="1">0.0109 (10)</td><td rowspan="1" colspan="1">0.0119 (11)</td><td rowspan="1" colspan="1">0.0116 (11)</td><td rowspan="1" colspan="1">0.0042 (9)</td><td rowspan="1" colspan="1">0.0037 (8)</td><td rowspan="1" colspan="1">−0.0018 (9)</td></tr><tr><td rowspan="1" colspan="1">O6</td><td rowspan="1" colspan="1">0.0110 (10)</td><td rowspan="1" colspan="1">0.0113 (11)</td><td rowspan="1" colspan="1">0.0065 (10)</td><td rowspan="1" colspan="1">−0.0002 (8)</td><td rowspan="1" colspan="1">−0.0017 (8)</td><td rowspan="1" colspan="1">−0.0016 (8)</td></tr><tr><td rowspan="1" colspan="1">O7</td><td rowspan="1" colspan="1">0.0155 (11)</td><td rowspan="1" colspan="1">0.0129 (11)</td><td rowspan="1" colspan="1">0.0076 (10)</td><td rowspan="1" colspan="1">0.0010 (9)</td><td rowspan="1" colspan="1">−0.0034 (8)</td><td rowspan="1" colspan="1">0.0033 (9)</td></tr><tr><td rowspan="1" colspan="1">O8</td><td rowspan="1" colspan="1">0.0170 (11)</td><td rowspan="1" colspan="1">0.0123 (11)</td><td rowspan="1" colspan="1">0.0043 (10)</td><td rowspan="1" colspan="1">0.0052 (9)</td><td rowspan="1" colspan="1">−0.0037 (8)</td><td rowspan="1" colspan="1">−0.0003 (8)</td></tr></table></table-wrap></sec><sec id="tablewrapgeomlong"><title>Geometric parameters (Å, º)</title><table-wrap position="anchor" id="d1e1467"><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">Al1—O2<sup>i</sup></td><td rowspan="1" colspan="1">1.771 (2)</td><td rowspan="1" colspan="1">Na3—O1<sup>i</sup></td><td rowspan="1" colspan="1">2.324 (3)</td></tr><tr><td rowspan="1" colspan="1">Al1—O4</td><td rowspan="1" colspan="1">1.755 (2)</td><td rowspan="1" colspan="1">Na3—O7</td><td rowspan="1" colspan="1">2.403 (3)</td></tr><tr><td rowspan="1" colspan="1">Al1—O6<sup>ii</sup></td><td rowspan="1" colspan="1">1.769 (2)</td><td rowspan="1" colspan="1">Na3—O1</td><td rowspan="1" colspan="1">2.531 (3)</td></tr><tr><td rowspan="1" colspan="1">Al1—O8<sup>iii</sup></td><td rowspan="1" colspan="1">1.755 (2)</td><td rowspan="1" colspan="1">Na3—O6<sup>ii</sup></td><td rowspan="1" colspan="1">2.725 (3)</td></tr><tr><td rowspan="1" colspan="1">As1—O1</td><td rowspan="1" colspan="1">1.654 (2)</td><td rowspan="1" colspan="1">Na3—O3<sup>i</sup></td><td rowspan="1" colspan="1">2.767 (3)</td></tr><tr><td rowspan="1" colspan="1">As1—O2</td><td rowspan="1" colspan="1">1.732 (2)</td><td rowspan="1" colspan="1">O1—Na3<sup>i</sup></td><td rowspan="1" colspan="1">2.324 (3)</td></tr><tr><td rowspan="1" colspan="1">As1—O5<sup>iv</sup></td><td rowspan="1" colspan="1">1.649 (2)</td><td rowspan="1" colspan="1">O1—Na2<sup>vi</sup></td><td rowspan="1" colspan="1">2.399 (3)</td></tr><tr><td rowspan="1" colspan="1">As2—O3</td><td rowspan="1" colspan="1">1.655 (2)</td><td rowspan="1" colspan="1">O2—Al1<sup>i</sup></td><td rowspan="1" colspan="1">1.771 (2)</td></tr><tr><td rowspan="1" colspan="1">As2—O4<sup>v</sup></td><td rowspan="1" colspan="1">1.723 (2)</td><td rowspan="1" colspan="1">O2—Na1<sup>iv</sup></td><td rowspan="1" colspan="1">2.525 (3)</td></tr><tr><td rowspan="1" colspan="1">As2—O6</td><td rowspan="1" colspan="1">1.734 (2)</td><td rowspan="1" colspan="1">O3—Na2<sup>iii</sup></td><td rowspan="1" colspan="1">2.366 (3)</td></tr><tr><td rowspan="1" colspan="1">As2—O7</td><td rowspan="1" colspan="1">1.655 (2)</td><td rowspan="1" colspan="1">O3—Na1<sup>ix</sup></td><td rowspan="1" colspan="1">2.396 (3)</td></tr><tr><td rowspan="1" colspan="1">Na1—O5<sup>vi</sup></td><td rowspan="1" colspan="1">2.324 (3)</td><td rowspan="1" colspan="1">O3—Na3<sup>i</sup></td><td rowspan="1" colspan="1">2.767 (3)</td></tr><tr><td rowspan="1" colspan="1">Na1—O7<sup>i</sup></td><td rowspan="1" colspan="1">2.338 (3)</td><td rowspan="1" colspan="1">O4—As2<sup>iii</sup></td><td rowspan="1" colspan="1">1.723 (2)</td></tr><tr><td rowspan="1" colspan="1">Na1—O3<sup>vi</sup></td><td rowspan="1" colspan="1">2.396 (3)</td><td rowspan="1" colspan="1">O4—Na2<sup>xii</sup></td><td rowspan="1" colspan="1">2.811 (3)</td></tr><tr><td rowspan="1" colspan="1">Na1—O6<sup>v</sup></td><td rowspan="1" colspan="1">2.410 (3)</td><td rowspan="1" colspan="1">O4—Na1<sup>xiii</sup></td><td rowspan="1" colspan="1">2.845 (3)</td></tr><tr><td rowspan="1" colspan="1">Na1—O2<sup>vii</sup></td><td rowspan="1" colspan="1">2.525 (3)</td><td rowspan="1" colspan="1">O5—As1<sup>vii</sup></td><td rowspan="1" colspan="1">1.649 (2)</td></tr><tr><td rowspan="1" colspan="1">Na1—O4<sup>viii</sup></td><td rowspan="1" colspan="1">2.845 (3)</td><td rowspan="1" colspan="1">O5—Na3<sup>i</sup></td><td rowspan="1" colspan="1">2.259 (3)</td></tr><tr><td rowspan="1" colspan="1">Na2—O3<sup>v</sup></td><td rowspan="1" colspan="1">2.366 (3)</td><td rowspan="1" colspan="1">O5—Na1<sup>ix</sup></td><td rowspan="1" colspan="1">2.324 (3)</td></tr><tr><td rowspan="1" colspan="1">Na2—O1<sup>ix</sup></td><td rowspan="1" colspan="1">2.399 (3)</td><td rowspan="1" colspan="1">O5—Na2<sup>iii</sup></td><td rowspan="1" colspan="1">2.400 (3)</td></tr><tr><td rowspan="1" colspan="1">Na2—O5<sup>v</sup></td><td rowspan="1" colspan="1">2.400 (3)</td><td rowspan="1" colspan="1">O6—Al1<sup>xiv</sup></td><td rowspan="1" colspan="1">1.769 (2)</td></tr><tr><td rowspan="1" colspan="1">Na2—O7<sup>x</sup></td><td rowspan="1" colspan="1">2.488 (3)</td><td rowspan="1" colspan="1">O6—Na1<sup>iii</sup></td><td rowspan="1" colspan="1">2.410 (3)</td></tr><tr><td rowspan="1" colspan="1">Na2—O8</td><td rowspan="1" colspan="1">2.646 (3)</td><td rowspan="1" colspan="1">O6—Na3<sup>xiv</sup></td><td rowspan="1" colspan="1">2.725 (3)</td></tr><tr><td rowspan="1" colspan="1">Na2—O2</td><td rowspan="1" colspan="1">2.732 (3)</td><td rowspan="1" colspan="1">O7—Na1<sup>i</sup></td><td rowspan="1" colspan="1">2.338 (3)</td></tr><tr><td rowspan="1" colspan="1">Na2—O4<sup>xi</sup></td><td rowspan="1" colspan="1">2.811 (3)</td><td rowspan="1" colspan="1">O7—Na2<sup>xv</sup></td><td rowspan="1" colspan="1">2.488 (3)</td></tr><tr><td rowspan="1" colspan="1">Na3—O5<sup>i</sup></td><td rowspan="1" colspan="1">2.259 (3)</td><td rowspan="1" colspan="1">O8—Al1<sup>v</sup></td><td rowspan="1" colspan="1">1.755 (2)</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">O5<sup>iv</sup>—As1—O1</td><td rowspan="1" colspan="1">116.68 (12)</td><td rowspan="1" colspan="1">O1<sup>ix</sup>—Na2—O5<sup>v</sup></td><td rowspan="1" colspan="1">85.63 (9)</td></tr><tr><td rowspan="1" colspan="1">O5<sup>iv</sup>—As1—O8</td><td rowspan="1" colspan="1">108.15 (11)</td><td rowspan="1" colspan="1">O3<sup>v</sup>—Na2—O7<sup>x</sup></td><td rowspan="1" colspan="1">170.45 (10)</td></tr><tr><td rowspan="1" colspan="1">O1—As1—O8</td><td rowspan="1" colspan="1">112.63 (11)</td><td rowspan="1" colspan="1">O1<sup>ix</sup>—Na2—O7<sup>x</sup></td><td rowspan="1" colspan="1">104.75 (9)</td></tr><tr><td rowspan="1" colspan="1">O5<sup>iv</sup>—As1—O2</td><td rowspan="1" colspan="1">110.31 (11)</td><td rowspan="1" colspan="1">O5<sup>v</sup>—Na2—O7<sup>x</sup></td><td rowspan="1" colspan="1">105.41 (9)</td></tr><tr><td rowspan="1" colspan="1">O1—As1—O2</td><td rowspan="1" colspan="1">106.86 (11)</td><td rowspan="1" colspan="1">O3<sup>v</sup>—Na2—O8</td><td rowspan="1" colspan="1">83.77 (9)</td></tr><tr><td rowspan="1" colspan="1">O8—As1—O2</td><td rowspan="1" colspan="1">101.07 (11)</td><td rowspan="1" colspan="1">O1<sup>ix</sup>—Na2—O8</td><td rowspan="1" colspan="1">78.02 (8)</td></tr><tr><td rowspan="1" colspan="1">O3—As2—O7</td><td rowspan="1" colspan="1">117.25 (12)</td><td rowspan="1" colspan="1">O5<sup>v</sup>—Na2—O8</td><td rowspan="1" colspan="1">155.65 (9)</td></tr><tr><td rowspan="1" colspan="1">O3—As2—O4<sup>v</sup></td><td rowspan="1" colspan="1">109.92 (11)</td><td rowspan="1" colspan="1">O7<sup>x</sup>—Na2—O8</td><td rowspan="1" colspan="1">96.20 (8)</td></tr><tr><td rowspan="1" colspan="1">O7—As2—O4<sup>v</sup></td><td rowspan="1" colspan="1">107.04 (11)</td><td rowspan="1" colspan="1">O3<sup>v</sup>—Na2—O2</td><td rowspan="1" colspan="1">84.72 (8)</td></tr><tr><td rowspan="1" colspan="1">O3—As2—O6</td><td rowspan="1" colspan="1">109.11 (11)</td><td rowspan="1" colspan="1">O1<sup>ix</sup>—Na2—O2</td><td rowspan="1" colspan="1">136.89 (9)</td></tr><tr><td rowspan="1" colspan="1">O7—As2—O6</td><td rowspan="1" colspan="1">111.39 (11)</td><td rowspan="1" colspan="1">O5<sup>v</sup>—Na2—O2</td><td rowspan="1" colspan="1">131.71 (9)</td></tr><tr><td rowspan="1" colspan="1">O4<sup>v</sup>—As2—O6</td><td rowspan="1" colspan="1">100.85 (11)</td><td rowspan="1" colspan="1">O7<sup>x</sup>—Na2—O2</td><td rowspan="1" colspan="1">87.06 (8)</td></tr><tr><td rowspan="1" colspan="1">O8<sup>iii</sup>—Al1—O4</td><td rowspan="1" colspan="1">108.02 (11)</td><td rowspan="1" colspan="1">O8—Na2—O2</td><td rowspan="1" colspan="1">59.34 (7)</td></tr><tr><td rowspan="1" colspan="1">O8<sup>iii</sup>—Al1—O6<sup>ii</sup></td><td rowspan="1" colspan="1">107.51 (11)</td><td rowspan="1" colspan="1">O3<sup>v</sup>—Na2—O4<sup>xi</sup></td><td rowspan="1" colspan="1">111.25 (9)</td></tr><tr><td rowspan="1" colspan="1">O4—Al1—O6<sup>ii</sup></td><td rowspan="1" colspan="1">113.86 (11)</td><td rowspan="1" colspan="1">O1<sup>ix</sup>—Na2—O4<sup>xi</sup></td><td rowspan="1" colspan="1">149.78 (9)</td></tr><tr><td rowspan="1" colspan="1">O8<sup>iii</sup>—Al1—O2<sup>i</sup></td><td rowspan="1" colspan="1">110.53 (11)</td><td rowspan="1" colspan="1">O5<sup>v</sup>—Na2—O4<sup>xi</sup></td><td rowspan="1" colspan="1">73.97 (8)</td></tr><tr><td rowspan="1" colspan="1">O4—Al1—O2<sup>i</sup></td><td rowspan="1" colspan="1">107.78 (11)</td><td rowspan="1" colspan="1">O7<sup>x</sup>—Na2—O4<sup>xi</sup></td><td rowspan="1" colspan="1">61.34 (7)</td></tr><tr><td rowspan="1" colspan="1">O6<sup>ii</sup>—Al1—O2<sup>i</sup></td><td rowspan="1" colspan="1">109.15 (11)</td><td rowspan="1" colspan="1">O8—Na2—O4<sup>xi</sup></td><td rowspan="1" colspan="1">127.61 (8)</td></tr><tr><td rowspan="1" colspan="1">O5<sup>vi</sup>—Na1—O7<sup>i</sup></td><td rowspan="1" colspan="1">88.17 (9)</td><td rowspan="1" colspan="1">O2—Na2—O4<sup>xi</sup></td><td rowspan="1" colspan="1">72.02 (7)</td></tr><tr><td rowspan="1" colspan="1">O5<sup>vi</sup>—Na1—O3<sup>vi</sup></td><td rowspan="1" colspan="1">77.64 (9)</td><td rowspan="1" colspan="1">O5<sup>i</sup>—Na3—O1<sup>i</sup></td><td rowspan="1" colspan="1">144.58 (11)</td></tr><tr><td rowspan="1" colspan="1">O7<sup>i</sup>—Na1—O3<sup>vi</sup></td><td rowspan="1" colspan="1">131.97 (10)</td><td rowspan="1" colspan="1">O5<sup>i</sup>—Na3—O7</td><td rowspan="1" colspan="1">97.69 (9)</td></tr><tr><td rowspan="1" colspan="1">O5<sup>vi</sup>—Na1—O6<sup>v</sup></td><td rowspan="1" colspan="1">163.14 (10)</td><td rowspan="1" colspan="1">O1<sup>i</sup>—Na3—O7</td><td rowspan="1" colspan="1">116.07 (10)</td></tr><tr><td rowspan="1" colspan="1">O7<sup>i</sup>—Na1—O6<sup>v</sup></td><td rowspan="1" colspan="1">93.36 (9)</td><td rowspan="1" colspan="1">O5<sup>i</sup>—Na3—O1</td><td rowspan="1" colspan="1">85.63 (9)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>vi</sup>—Na1—O6<sup>v</sup></td><td rowspan="1" colspan="1">88.99 (9)</td><td rowspan="1" colspan="1">O1<sup>i</sup>—Na3—O1</td><td rowspan="1" colspan="1">105.03 (9)</td></tr><tr><td rowspan="1" colspan="1">O5<sup>vi</sup>—Na1—O2<sup>vii</sup></td><td rowspan="1" colspan="1">98.35 (9)</td><td rowspan="1" colspan="1">O7—Na3—O1</td><td rowspan="1" colspan="1">87.95 (9)</td></tr><tr><td rowspan="1" colspan="1">O7<sup>i</sup>—Na1—O2<sup>vii</sup></td><td rowspan="1" colspan="1">88.83 (9)</td><td rowspan="1" colspan="1">O5<sup>i</sup>—Na3—O6<sup>ii</sup></td><td rowspan="1" colspan="1">96.48 (9)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>vi</sup>—Na1—O2<sup>vii</sup></td><td rowspan="1" colspan="1">138.21 (10)</td><td rowspan="1" colspan="1">O1<sup>i</sup>—Na3—O6<sup>ii</sup></td><td rowspan="1" colspan="1">77.46 (8)</td></tr><tr><td rowspan="1" colspan="1">O6<sup>v</sup>—Na1—O2<sup>vii</sup></td><td rowspan="1" colspan="1">98.46 (8)</td><td rowspan="1" colspan="1">O7—Na3—O6<sup>ii</sup></td><td rowspan="1" colspan="1">84.47 (9)</td></tr><tr><td rowspan="1" colspan="1">O5<sup>vi</sup>—Na1—O4<sup>viii</sup></td><td rowspan="1" colspan="1">123.90 (9)</td><td rowspan="1" colspan="1">O1—Na3—O6<sup>ii</sup></td><td rowspan="1" colspan="1">172.34 (10)</td></tr><tr><td rowspan="1" colspan="1">O7<sup>i</sup>—Na1—O4<sup>viii</sup></td><td rowspan="1" colspan="1">145.14 (9)</td><td rowspan="1" colspan="1">O5<sup>i</sup>—Na3—O3<sup>i</sup></td><td rowspan="1" colspan="1">71.35 (8)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>vi</sup>—Na1—O4<sup>viii</sup></td><td rowspan="1" colspan="1">73.99 (8)</td><td rowspan="1" colspan="1">O1<sup>i</sup>—Na3—O3<sup>i</sup></td><td rowspan="1" colspan="1">79.09 (9)</td></tr><tr><td rowspan="1" colspan="1">O6<sup>v</sup>—Na1—O4<sup>viii</sup></td><td rowspan="1" colspan="1">60.27 (7)</td><td rowspan="1" colspan="1">O7—Na3—O3<sup>i</sup></td><td rowspan="1" colspan="1">159.60 (10)</td></tr><tr><td rowspan="1" colspan="1">O2<sup>vii</sup>—Na1—O4<sup>viii</sup></td><td rowspan="1" colspan="1">74.45 (8)</td><td rowspan="1" colspan="1">O1—Na3—O3<sup>i</sup></td><td rowspan="1" colspan="1">74.37 (8)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>v</sup>—Na2—O1<sup>ix</sup></td><td rowspan="1" colspan="1">84.62 (9)</td><td rowspan="1" colspan="1">O6<sup>ii</sup>—Na3—O3<sup>i</sup></td><td rowspan="1" colspan="1">113.29 (9)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>v</sup>—Na2—O5<sup>v</sup></td><td rowspan="1" colspan="1">76.78 (9)</td><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td></tr></table></table-wrap><p>Symmetry codes: (i) −<italic>x</italic>+1, −<italic>y</italic>+1, −<italic>z</italic>+1; (ii) <italic>x</italic>, −<italic>y</italic>+1/2, <italic>z</italic>+1/2; (iii) −<italic>x</italic>+1, <italic>y</italic>−1/2, −<italic>z</italic>+1/2; (iv) <italic>x</italic>+1, <italic>y</italic>, <italic>z</italic>; (v) −<italic>x</italic>+1, <italic>y</italic>+1/2, −<italic>z</italic>+1/2; (vi) <italic>x</italic>, −<italic>y</italic>+3/2, <italic>z</italic>+1/2; (vii) <italic>x</italic>−1, <italic>y</italic>, <italic>z</italic>; (viii) <italic>x</italic>, <italic>y</italic>+1, <italic>z</italic>; (ix) <italic>x</italic>, −<italic>y</italic>+3/2, <italic>z</italic>−1/2; (x) −<italic>x</italic>+2, <italic>y</italic>+1/2, −<italic>z</italic>+1/2; (xi) <italic>x</italic>+1, <italic>y</italic>+1, <italic>z</italic>; (xii) <italic>x</italic>−1, <italic>y</italic>−1, <italic>z</italic>; (xiii) <italic>x</italic>, <italic>y</italic>−1, <italic>z</italic>; (xiv) <italic>x</italic>, −<italic>y</italic>+1/2, <italic>z</italic>−1/2; (xv) −<italic>x</italic>+2, <italic>y</italic>−1/2, −<italic>z</italic>+1/2.</p></sec></app></app-group><ref-list><title>References</title><ref id="bb1"><mixed-citation publication-type="other">Alamo, J. & Roy, R. 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(2008). <italic>Acta Cryst.</italic> A<bold>64</bold>, 112–122.</mixed-citation></ref></ref-list></back><floats-group><table-wrap id="table1" position="float"><label>Table 1</label><caption><title>Selected bond lengths (Å)</title></caption><table frame="hsides" rules="groups"><tbody valign="top"><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Al1—O2<sup>i</sup></td><td style="" rowspan="1" colspan="1" align="char" valign="top">1.771 (2)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Al1—O4</td><td style="" rowspan="1" colspan="1" align="char" valign="top">1.755 (2)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Al1—O6<sup>ii</sup></td><td style="" rowspan="1" colspan="1" align="char" valign="top">1.769 (2)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Al1—O8<sup>iii</sup></td><td style="" rowspan="1" colspan="1" align="char" valign="top">1.755 (2)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">As1—O1</td><td style="" rowspan="1" colspan="1" align="char" valign="top">1.654 (2)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">As1—O2</td><td style="" rowspan="1" colspan="1" align="char" valign="top">1.732 (2)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">As1—O5<sup>iv</sup></td><td style="" rowspan="1" colspan="1" align="char" valign="top">1.649 (2)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">As2—O3</td><td style="" rowspan="1" colspan="1" align="char" valign="top">1.655 (2)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">As2—O4<sup>v</sup></td><td style="" rowspan="1" colspan="1" align="char" valign="top">1.723 (2)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">As2—O6</td><td style="" rowspan="1" colspan="1" align="char" valign="top">1.734 (2)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">As2—O7</td><td style="" rowspan="1" colspan="1" align="char" valign="top">1.655 (2)</td></tr></tbody></table><table-wrap-foot><p>Symmetry codes: (i) <inline-formula><inline-graphic xlink:href="e-69-00i14-efi4.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>; (ii) <inline-formula><inline-graphic xlink:href="e-69-00i14-efi5.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>; (iii) <inline-formula><inline-graphic xlink:href="e-69-00i14-efi6.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>; (iv) <inline-formula><inline-graphic xlink:href="e-69-00i14-efi7.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>; (v) <inline-formula><inline-graphic xlink:href="e-69-00i14-efi8.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>.</p></table-wrap-foot></table-wrap></floats-group></pmc></record>Pour manipuler ce document sous Unix (Dilib)
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