Distrontium trimanganese(II) bis(hydrogenphosphate) bis(orthophosphate)
Identifieur interne : 000371 ( Pmc/Corpus ); précédent : 000370; suivant : 000372Distrontium trimanganese(II) bis(hydrogenphosphate) bis(orthophosphate)
Auteurs : Jamal Khmiyas ; Abderrazzak Assani ; Mohamed Saadi ; Lahcen El AmmariSource :
- Acta Crystallographica Section E: Structure Reports Online [ 1600-5368 ] ; 2013.
Abstract
The title compound, Sr2Mn3(HPO4)2(PO4)2, was synthesized under hydrothermal conditions. In the structure, one of two Mn atoms is located on an inversion centre, whereas all others atoms are located in general positions. The framework structure is built up from two types of MnO6 octahedra (one almost undistorted, one considerably distorted), one PO3OH and one PO4 tetrahedron. The centrosymmetric MnO6 octahedron is linked to two other MnO6 octahedra by edge-sharing, forming infinite zigzag chains parallel to [010]. The PO3OH and PO4 tetrahedra connect these chains through common vertices or edges, resulting in the formation of sheets parallel to (100). The Sr2+ cation is located in the interlayer space and is bonded to nine O atoms in form of a distorted polyhedron and enhances the cohesion of the layers. Additional stabilization is achieved by a strong interlayer O—H⋯O hydrogen bond between the PO3OH and PO4 units. The structure of the title phosphate is isotypic to that of Pb2Mn3(HPO4)2(PO4)2.
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DOI: 10.1107/S1600536813018898
PubMed: 24109255
PubMed Central: 3793668
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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Distrontium trimanganese(II) bis(hydrogenphosphate) bis(orthophosphate)</title><author><name sortKey="Khmiyas, Jamal" sort="Khmiyas, Jamal" uniqKey="Khmiyas J" first="Jamal" last="Khmiyas">Jamal Khmiyas</name><affiliation><nlm:aff id="a">Laboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V-Agdal, Avenue Ibn Battouta, BP 1014, Rabat,<country>Morocco</country></nlm:aff></affiliation></author><author><name sortKey="Assani, Abderrazzak" sort="Assani, Abderrazzak" uniqKey="Assani A" first="Abderrazzak" last="Assani">Abderrazzak Assani</name><affiliation><nlm:aff id="a">Laboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V-Agdal, Avenue Ibn Battouta, BP 1014, Rabat,<country>Morocco</country></nlm:aff></affiliation></author><author><name sortKey="Saadi, Mohamed" sort="Saadi, Mohamed" uniqKey="Saadi M" first="Mohamed" last="Saadi">Mohamed Saadi</name><affiliation><nlm:aff id="a">Laboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V-Agdal, Avenue Ibn Battouta, BP 1014, Rabat,<country>Morocco</country></nlm:aff></affiliation></author><author><name sortKey="El Ammari, Lahcen" sort="El Ammari, Lahcen" uniqKey="El Ammari L" first="Lahcen" last="El Ammari">Lahcen El Ammari</name><affiliation><nlm:aff id="a">Laboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V-Agdal, Avenue Ibn Battouta, BP 1014, Rabat,<country>Morocco</country></nlm:aff></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PMC</idno><idno type="pmid">24109255</idno><idno type="pmc">3793668</idno><idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793668</idno><idno type="RBID">PMC:3793668</idno><idno type="doi">10.1107/S1600536813018898</idno><date when="2013">2013</date><idno type="wicri:Area/Pmc/Corpus">000371</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000371</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">Distrontium trimanganese(II) bis(hydrogenphosphate) bis(orthophosphate)</title><author><name sortKey="Khmiyas, Jamal" sort="Khmiyas, Jamal" uniqKey="Khmiyas J" first="Jamal" last="Khmiyas">Jamal Khmiyas</name><affiliation><nlm:aff id="a">Laboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V-Agdal, Avenue Ibn Battouta, BP 1014, Rabat,<country>Morocco</country></nlm:aff></affiliation></author><author><name sortKey="Assani, Abderrazzak" sort="Assani, Abderrazzak" uniqKey="Assani A" first="Abderrazzak" last="Assani">Abderrazzak Assani</name><affiliation><nlm:aff id="a">Laboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V-Agdal, Avenue Ibn Battouta, BP 1014, Rabat,<country>Morocco</country></nlm:aff></affiliation></author><author><name sortKey="Saadi, Mohamed" sort="Saadi, Mohamed" uniqKey="Saadi M" first="Mohamed" last="Saadi">Mohamed Saadi</name><affiliation><nlm:aff id="a">Laboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V-Agdal, Avenue Ibn Battouta, BP 1014, Rabat,<country>Morocco</country></nlm:aff></affiliation></author><author><name sortKey="El Ammari, Lahcen" sort="El Ammari, Lahcen" uniqKey="El Ammari L" first="Lahcen" last="El Ammari">Lahcen El Ammari</name><affiliation><nlm:aff id="a">Laboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V-Agdal, Avenue Ibn Battouta, BP 1014, Rabat,<country>Morocco</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 title compound, Sr<sub>2</sub>Mn<sub>3</sub>(HPO<sub>4</sub>)<sub>2</sub>(PO<sub>4</sub>)<sub>2</sub>, was synthesized under hydrothermal conditions. In the structure, one of two Mn atoms is located on an inversion centre, whereas all others atoms are located in general positions. The framework structure is built up from two types of MnO<sub>6</sub> octahedra (one almost undistorted, one considerably distorted), one PO<sub>3</sub>OH and one PO<sub>4</sub> tetrahedron. The centrosymmetric MnO<sub>6</sub> octahedron is linked to two other MnO<sub>6</sub> octahedra by edge-sharing, forming infinite zigzag chains parallel to [010]. The PO<sub>3</sub>OH and PO<sub>4</sub> tetrahedra connect these chains through common vertices or edges, resulting in the formation of sheets parallel to (100). The Sr<sup>2+</sup> cation is located in the interlayer space and is bonded to nine O atoms in form of a distorted polyhedron and enhances the cohesion of the layers. Additional stabilization is achieved by a strong interlayer O—H⋯O hydrogen bond between the PO<sub>3</sub>OH and PO<sub>4</sub> units. The structure of the title phosphate is isotypic to that of Pb<sub>2</sub>Mn<sub>3</sub>(HPO<sub>4</sub>)<sub>2</sub>(PO<sub>4</sub>)<sub>2</sub>.</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></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">24109255</article-id><article-id pub-id-type="pmc">3793668</article-id><article-id pub-id-type="publisher-id">wm2758</article-id><article-id pub-id-type="doi">10.1107/S1600536813018898</article-id><article-id pub-id-type="coden">ACSEBH</article-id><article-id pub-id-type="pii">S1600536813018898</article-id><article-categories><subj-group subj-group-type="heading"><subject>Inorganic Papers</subject></subj-group></article-categories><title-group><article-title>Distrontium trimanganese(II) bis(hydrogenphosphate) bis(orthophosphate)</article-title><alt-title><italic>Sr<sub>2</sub>Mn<sub>3</sub>(HPO<sub>4</sub>)<sub>2</sub>(PO<sub>4</sub>)<sub>2</sub></italic></alt-title></title-group><contrib-group><contrib contrib-type="author"><name><surname>Khmiyas</surname><given-names>Jamal</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>Assani</surname><given-names>Abderrazzak</given-names></name><xref ref-type="aff" rid="a">a</xref></contrib><contrib contrib-type="author"><name><surname>Saadi</surname><given-names>Mohamed</given-names></name><xref ref-type="aff" rid="a">a</xref></contrib><contrib contrib-type="author"><name><surname>El Ammari</surname><given-names>Lahcen</given-names></name><xref ref-type="aff" rid="a">a</xref></contrib><aff id="a"><label>a</label>Laboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V-Agdal, Avenue Ibn Battouta, BP 1014, Rabat,<country>Morocco</country></aff></contrib-group><author-notes><corresp id="cor">Correspondence e-mail: <email>j_khmiyas@yahoo.fr</email></corresp></author-notes><pub-date pub-type="collection"><day>01</day><month>8</month><year>2013</year></pub-date><pub-date pub-type="epub"><day>13</day><month>7</month><year>2013</year></pub-date><pub-date pub-type="pmc-release"><day>13</day><month>7</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 8</issue><issue-id pub-id-type="publisher-id">e130800</issue-id><fpage>i50</fpage><lpage>i50</lpage><history><date date-type="received"><day>04</day><month>7</month><year>2013</year></date><date date-type="accepted"><day>08</day><month>7</month><year>2013</year></date></history><permissions><copyright-statement>© Khmiyas 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/S1600536813018898">A full version of this article is available from Crystallography Journals Online.</self-uri><abstract><p>The title compound, Sr<sub>2</sub>Mn<sub>3</sub>(HPO<sub>4</sub>)<sub>2</sub>(PO<sub>4</sub>)<sub>2</sub>, was synthesized under hydrothermal conditions. In the structure, one of two Mn atoms is located on an inversion centre, whereas all others atoms are located in general positions. The framework structure is built up from two types of MnO<sub>6</sub> octahedra (one almost undistorted, one considerably distorted), one PO<sub>3</sub>OH and one PO<sub>4</sub> tetrahedron. The centrosymmetric MnO<sub>6</sub> octahedron is linked to two other MnO<sub>6</sub> octahedra by edge-sharing, forming infinite zigzag chains parallel to [010]. The PO<sub>3</sub>OH and PO<sub>4</sub> tetrahedra connect these chains through common vertices or edges, resulting in the formation of sheets parallel to (100). The Sr<sup>2+</sup> cation is located in the interlayer space and is bonded to nine O atoms in form of a distorted polyhedron and enhances the cohesion of the layers. Additional stabilization is achieved by a strong interlayer O—H⋯O hydrogen bond between the PO<sub>3</sub>OH and PO<sub>4</sub> units. The structure of the title phosphate is isotypic to that of Pb<sub>2</sub>Mn<sub>3</sub>(HPO<sub>4</sub>)<sub>2</sub>(PO<sub>4</sub>)<sub>2</sub>.</p></abstract></article-meta></front><body><sec id="sec1"><title>Related literature
</title><p>For isotypic Pb<sub>2</sub>Mn<sub>3</sub>(HPO<sub>4</sub>)<sub>2</sub>(PO<sub>4</sub>)<sub>2</sub>, see: Assani <italic>et al.</italic> (2012<italic>b</italic><xref ref-type="bibr" rid="bb2"> ▶</xref>). For related structures, see: Assani <italic>et al.</italic> (2012<italic>a</italic><xref ref-type="bibr" rid="bb1"> ▶</xref>); Effenberger (1999<xref ref-type="bibr" rid="bb7"> ▶</xref>). For the thermal stability of similar compounds, see: Morozov <italic>et al.</italic> (2003<xref ref-type="bibr" rid="bb11"> ▶</xref>). For applications of phosphates, see: Cheetham <italic>et al.</italic> (1999<xref ref-type="bibr" rid="bb5"> ▶</xref>); Viter & Nagornyi (2009<xref ref-type="bibr" rid="bb14"> ▶</xref>); Forster <italic>et al.</italic> (2003<xref ref-type="bibr" rid="bb9"> ▶</xref>); Clearfield (1988<xref ref-type="bibr" rid="bb6"> ▶</xref>); Joschi <italic>et al.</italic> (2008<xref ref-type="bibr" rid="bb10"> ▶</xref>); Trad <italic>et al.</italic> (2010<xref ref-type="bibr" rid="bb13"> ▶</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" id="l1"><list-item><p>Sr<sub>2</sub>Mn<sub>3</sub>(HPO<sub>4</sub>)<sub>2</sub>(PO<sub>4</sub>)<sub>2</sub></p></list-item><list-item><p><italic>M</italic><italic><sub>r</sub></italic> = 721.96</p></list-item><list-item><p>Monoclinic, <inline-formula><inline-graphic xlink:href="e-69-00i50-efi11.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula></p></list-item><list-item><p><italic>a</italic> = 7.8535 (1) Å</p></list-item><list-item><p><italic>b</italic> = 8.7793 (2) Å</p></list-item><list-item><p><italic>c</italic> = 9.6165 (2) Å</p></list-item><list-item><p>β = 101.434 (1)°</p></list-item><list-item><p><italic>V</italic> = 649.88 (2) Å<sup>3</sup></p></list-item><list-item><p><italic>Z</italic> = 2</p></list-item><list-item><p>Mo <italic>K</italic>α radiation</p></list-item><list-item><p>μ = 11.58 mm<sup>−1</sup></p></list-item><list-item><p><italic>T</italic> = 296 K</p></list-item><list-item><p>0.33 × 0.24 × 0.12 mm</p></list-item></list></p></sec><sec id="sec2.1.2"><title>Data collection
</title><p><list list-type="simple" id="l2"><list-item><p>Bruker APEXII CCD diffractometer</p></list-item><list-item><p>Absorption correction: multi-scan (<italic>SADABS</italic>; Bruker, 2009<xref ref-type="bibr" rid="bb4"> ▶</xref>) <italic>T</italic><sub>min</sub> = 0.046, <italic>T</italic><sub>max</sub> = 0.215</p></list-item><list-item><p>12425 measured reflections</p></list-item><list-item><p>3138 independent reflections</p></list-item><list-item><p>2874 reflections with <italic>I</italic> > 2σ(<italic>I</italic>)</p></list-item><list-item><p><italic>R</italic><sub>int</sub> = 0.025</p></list-item></list></p></sec><sec id="sec2.1.3"><title>Refinement
</title><p><list list-type="simple" id="l3"><list-item><p><italic>R</italic>[<italic>F</italic><sup>2</sup> > 2σ(<italic>F</italic><sup>2</sup>)] = 0.019</p></list-item><list-item><p><italic>wR</italic>(<italic>F</italic><sup>2</sup>) = 0.045</p></list-item><list-item><p><italic>S</italic> = 1.06</p></list-item><list-item><p>3138 reflections</p></list-item><list-item><p>115 parameters</p></list-item><list-item><p>H-atom parameters constrained</p></list-item><list-item><p>Δρ<sub>max</sub> = 0.58 e Å<sup>−3</sup></p></list-item><list-item><p>Δρ<sub>min</sub> = −0.54 e Å<sup>−3</sup></p></list-item></list></p></sec></sec><sec id="d5e638"><title></title><p>Data collection: <italic>APEX2</italic> (Bruker, 2009<xref ref-type="bibr" rid="bb4"> ▶</xref>); cell refinement: <italic>SAINT</italic> (Bruker, 2009<xref ref-type="bibr" rid="bb4"> ▶</xref>); data reduction: <italic>SAINT</italic>; program(s) used to solve structure: <italic>SHELXS97</italic> (Sheldrick, 2008<xref ref-type="bibr" rid="bb12"> ▶</xref>); program(s) used to refine structure: <italic>SHELXL97</italic> (Sheldrick, 2008<xref ref-type="bibr" rid="bb12"> ▶</xref>); molecular graphics: <italic>ORTEP-3 for Windows</italic> (Farrugia, 2012<xref ref-type="bibr" rid="bb8"> ▶</xref>) and <italic>DIAMOND</italic> (Brandenburg, 2006<xref ref-type="bibr" rid="bb3"> ▶</xref>); software used to prepare material for publication: <italic>publCIF</italic> (Westrip, 2010<xref ref-type="bibr" rid="bb15"> ▶</xref>).</p></sec></sec><sec sec-type="supplementary-material"><title>Supplementary Material</title><supplementary-material content-type="loca-data"><p>Crystal structure: contains datablock(s) I, global. DOI: <ext-link ext-link-type="uri" xlink:href="http://dx.doi.org/10.1107/S1600536813018898/wm2758sup1.cif">10.1107/S1600536813018898/wm2758sup1.cif</ext-link></p><media mimetype="chemical" mime-subtype="x-cif" xlink:href="e-69-00i50-sup1.cif" xlink:type="simple" id="d35e133" position="anchor"></media></supplementary-material><supplementary-material content-type="loca-data"><p>Structure factors: contains datablock(s) I. DOI: <ext-link ext-link-type="uri" xlink:href="http://dx.doi.org/10.1107/S1600536813018898/wm2758Isup2.hkl">10.1107/S1600536813018898/wm2758Isup2.hkl</ext-link></p><media mimetype="text" mime-subtype="plain" xlink:href="e-69-00i50-Isup2.hkl" xlink:type="simple" id="d35e140" position="anchor"></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?wm2758&file=wm2758sup0.html&mime=text/html"> crystallographic information</ext-link>; <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendcif?wm2758sup1&Qmime=cif">3D view</ext-link>; <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/paper?wm2758&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?wm2758">WM2758</ext-link>).</p></fn></fn-group><ack><p>The authors thank the Unit of Support for Technical and Scientific Research (UATRS, CNRST) for the X-ray measurements.</p></ack><app-group><app><title>supplementary crystallographic
information</title><sec id="comment"><title>Comment </title><p>Widespread studies were devoted to metal-based phosphates, either with
open-framework structures, or in terms of porous materials. Within those
materials, the anionic framework, generally constructed from PO<sub>4</sub>tetrahedra connected to metal (<italic>M</italic>) cations in different coordination
environments <italic>M</italic>O<italic><sub>n</sub></italic> (with <italic>n</italic> = 4, 5 and 6), can generate
pores and channels offering a suitable environment to accommodate various
other cations. Besides their high chemical activity and their thermal
stability (Morozov <italic>et al.</italic>, 2003), such metal-based phosphates
have
some interesting properties leading to applications such as in catalysis
(Cheetham <italic>et al.</italic>, 1999; Viter & Nagornyi, 2009),
ion-exchangers
(Clearfield, 1988; Joschi <italic>et al.</italic>, 2008), gas sorption
(Forster <italic>et al.</italic>, 2003), or batteries (Trad <italic>et al.</italic>,
2010).</p><p>Our interest is particularly focused on hydrothermally synthesized
orthophosphates within the ternary systems <italic>M</italic>O–<italic>M</italic>'O–P<sub>2</sub>O<sub>5</sub> with
<italic>M</italic> and <italic>M</italic>' = divalent cations. We have recently characterized some
new lead cobalt or manganese phosphates, <italic>viz</italic>.
Co<sub>2</sub>Pb(HPO<sub>4</sub>)(PO<sub>4</sub>)OH<sup>.</sup>H<sub>2</sub>O (Assani <italic>et al.</italic>, 2012<italic>a</italic>)
and
Pb<sub>2</sub>Mn<sub>3</sub>(HPO<sub>4</sub>)<sub>2</sub>(PO<sub>4</sub>)<sub>2</sub> (Assani <italic>et al.</italic>, 2012<italic>b</italic>).
In line with the focus of our research, the present paper describes the
hydrothermal synthesis and the structural characterization of a new
strontium manganese phosphate, Sr<sub>2</sub>Mn<sub>3</sub>(HPO<sub>4</sub>)<sub>2</sub>(PO<sub>4</sub>)<sub>2</sub>, that is
isotypic with its lead analogue, Pb<sub>2</sub>Mn<sub>3</sub>(HPO<sub>4</sub>)<sub>2</sub>(PO<sub>4</sub>)<sub>2</sub>. These two
phosphates are characterized by an Mn:P ratio = 3:4, which is rarely
observed, with the exception of some copper-based orthophosphates,
Pb<sub>3</sub>Cu<sub>3</sub>(PO<sub>4</sub>)<sub>4</sub> and Sr<sub>3</sub>Cu<sub>3</sub>(PO<sub>4</sub>)<sub>4</sub> (Effenberger, 1999), also
with Cu:P = 3:4.</p><p>In the structure of the title compound, one of the two manganese sites (Mn1) is
located on a centre of inversion, while all remaining atoms are in general
positions. A part of the structure, as given in Fig. 1, shows the different
types of polyhedra around the metal positions and the P atoms. The
centrosymmetric Mn1O<sub>6</sub> octahedron is linked to two distorted Mn2O<sub>6</sub> octahedra
by a common edge, thus forming infinite zigzag chains with composition
[Mn<sub>3</sub>O<sub>14</sub>]<sub>∞</sub> running parallel to [010] (Fig. 2). Adjacent chains are
linked
to each other through PO<sub>4</sub> and PO<sub>3</sub>OH tetrahedra, <italic>via</italic> common corners
or edges, leading to the formation of layers parallel to (100). The
cohesion of the crystal structure is ensured on one hand by the presence
of the Sr<sup>2+</sup> cations in the interlayer space and on the other hand by strong
O—H···O hydrogen bonds between sheets (Fig. 2 and Table 2).</p><p>In the structure of the title compound, the Sr<sup>2+</sup> cation is surrounded
by nine O atoms instead of eight as in the case of
Pb<sub>2</sub>Mn<sub>3</sub>(HPO<sub>4</sub>)<sub>2</sub>(PO<sub>4</sub>)<sub>2</sub>. All other bond lengths and angles are similar
in the two structures, with the exception of the Mn2—O bond lengths. In
the title structure, four medium-long bonds in the range 2.1189 (10) to
2.1875 (9) Å and two longer bonds of 2.4079 (12) and 2.4609 (11) Å are observed,
whereas in the lead analogue five medium-long bonds in the range 2.094 (4) to
2.235 (4) Å and one considerably long bond of 2.610 (4) Å is observed.</p></sec><sec id="experimental"><title>Experimental </title><p>Transparent crystals of Sr<sub>2</sub>Mn<sub>3</sub>(HPO<sub>4</sub>)<sub>2</sub>(PO<sub>4</sub>)<sub>2</sub>were isolated from hydrothermal treatment of the reaction mixture of
strontium, manganese, sodium and phosphate precursors in a proportion
corresponding to the molar ratio Sr: Mn: Na: P: = 4: 4.5: 1: 6. The
hydrothermal reaction was conducted in a 23 ml Teflon-lined autoclave filled to
50% with distilled water and under autogenously pressure at 473 K for five
days. After being filtered off, washed with deionized water and air-dried, the
reaction product consisted of colourless crystals with a platy form.</p></sec><sec id="refinement"><title>Refinement </title><p>The O-bound H atom was initially located in a difference map and refined with
O—H distance restraint of 0.82 (1) Å. In the last cycle it was refined in
the riding model approximation with <italic>U</italic><sub>iso</sub>(H) set to 1.5Ueq(O). The
highest peak and the deepest hole in the final Fourier map are at 0.64 Å and
0.55 Å, from Mn2.</p></sec><sec id="figures"><title>Figures</title><fig id="Fap1"><label>Fig. 1.</label><caption><p>: A partial plot of the crystal structure of the title compound. Displacement ellipsoids are drawn at the 50% probability level. Symmetry codes: (i) -x + 1, y - 1/2, -z + 1/2; (ii) -x + 1, -y + 1, -z + 1; (iii) x, -y + 3/2, z - 1/2; (iv) -x + 2, -y + 1, -z + 1; (v) x + 1, -y + 3/2, z + 1/2; (vi) x + 1, y, z; (vii) -x + 1, y + 1/2, -z + 1/2; (viii) x, -y + 3/2, z + 1/2.</p></caption><graphic xlink:href="e-69-00i50-fig1"></graphic></fig><fig id="Fap2"><label>Fig. 2.</label><caption><p>: Polyhedral representation of Sr2Mn3(HPO4)2(PO4)2, showing Sr2+ cations between layers and O—H···O hydrogen bonds (dashed lines) between the sheets.</p></caption><graphic xlink:href="e-69-00i50-fig2"></graphic></fig></sec><sec id="tablewrapcrystaldatalong"><title>Crystal data</title><table-wrap position="anchor" id="d1e442"><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">Sr<sub>2</sub>Mn<sub>3</sub>(HPO<sub>4</sub>)<sub>2</sub>(PO<sub>4</sub>)<sub>2</sub></td><td rowspan="1" colspan="1"><italic>F</italic>(000) = 682</td></tr><tr><td rowspan="1" colspan="1"><italic>M</italic><italic><sub>r</sub></italic> = 721.96</td><td rowspan="1" colspan="1"><italic>D</italic><sub>x</sub> = 3.689 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 3138 reflections</td></tr><tr><td rowspan="1" colspan="1"><italic>a</italic> = 7.8535 (1) Å</td><td rowspan="1" colspan="1">θ = 2.7–36.3°</td></tr><tr><td rowspan="1" colspan="1"><italic>b</italic> = 8.7793 (2) Å</td><td rowspan="1" colspan="1">µ = 11.58 mm<sup>−</sup><sup>1</sup></td></tr><tr><td rowspan="1" colspan="1"><italic>c</italic> = 9.6165 (2) Å</td><td rowspan="1" colspan="1"><italic>T</italic> = 296 K</td></tr><tr><td rowspan="1" colspan="1">β = 101.434 (1)°</td><td rowspan="1" colspan="1">Sheet, colourless</td></tr><tr><td rowspan="1" colspan="1"><italic>V</italic> = 649.88 (2) Å<sup>3</sup></td><td rowspan="1" colspan="1">0.33 × 0.24 × 0.12 mm</td></tr><tr><td rowspan="1" colspan="1"><italic>Z</italic> = 2</td><td rowspan="1" colspan="1"></td></tr></table></table-wrap></sec><sec id="tablewrapdatacollectionlong"><title>Data collection</title><table-wrap position="anchor" id="d1e579"><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">Bruker APEXII CCD diffractometer</td><td rowspan="1" colspan="1">3138 independent reflections</td></tr><tr><td rowspan="1" colspan="1">Radiation source: fine-focus sealed tube</td><td rowspan="1" colspan="1">2874 reflections with <italic>I</italic> > 2σ(<italic>I</italic>)</td></tr><tr><td rowspan="1" colspan="1">Graphite monochromator</td><td rowspan="1" colspan="1"><italic>R</italic><sub>int</sub> = 0.025</td></tr><tr><td rowspan="1" colspan="1">φ and ω scans</td><td rowspan="1" colspan="1">θ<sub>max</sub> = 36.3°, θ<sub>min</sub> = 2.7°</td></tr><tr><td rowspan="1" colspan="1">Absorption correction: multi-scan (<italic>SADABS</italic>; Bruker (2009)</td><td rowspan="1" colspan="1"><italic>h</italic> = −13→12</td></tr><tr><td rowspan="1" colspan="1"><italic>T</italic><sub>min</sub> = 0.046, <italic>T</italic><sub>max</sub> = 0.215</td><td rowspan="1" colspan="1"><italic>k</italic> = −14→14</td></tr><tr><td rowspan="1" colspan="1">12425 measured reflections</td><td rowspan="1" colspan="1"><italic>l</italic> = −16→16</td></tr></table></table-wrap></sec><sec id="tablewraprefinementdatalong"><title>Refinement</title><table-wrap position="anchor" id="d1e696"><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>)] = 0.019</td><td rowspan="1" colspan="1">Hydrogen site location: difference Fourier map</td></tr><tr><td rowspan="1" colspan="1"><italic>wR</italic>(<italic>F</italic><sup>2</sup>) = 0.045</td><td rowspan="1" colspan="1">H-atom parameters constrained</td></tr><tr><td rowspan="1" colspan="1"><italic>S</italic> = 1.06</td><td rowspan="1" colspan="1"><italic>w</italic> = 1/[σ<sup>2</sup>(<italic>F</italic><sub>o</sub><sup>2</sup>) + (0.0211<italic>P</italic>)<sup>2</sup> + 0.239<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">3138 reflections</td><td rowspan="1" colspan="1">(Δ/σ)<sub>max</sub> = 0.002</td></tr><tr><td rowspan="1" colspan="1">115 parameters</td><td rowspan="1" colspan="1">Δρ<sub>max</sub> = 0.58 e Å<sup>−</sup><sup>3</sup></td></tr><tr><td rowspan="1" colspan="1">0 restraints</td><td rowspan="1" colspan="1">Δρ<sub>min</sub> = −0.54 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="d1e854"><table rules="all" frame="box" style="table-layout:fixed"><tr><td rowspan="1" colspan="1">Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are
estimated using the full covariance matrix. The cell s.u.'s are taken into
account individually in the estimation of s.u.'s in distances, angles and
torsion angles; correlations between s.u.'s in cell parameters are only used
when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell s.u.'s is used for estimating s.u.'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> >
2σ(<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="d1e953"><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">Sr1</td><td rowspan="1" colspan="1">0.573794 (17)</td><td rowspan="1" colspan="1">0.478038 (15)</td><td rowspan="1" colspan="1">0.234323 (14)</td><td rowspan="1" colspan="1">0.00999 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">Mn1</td><td rowspan="1" colspan="1">1.0000</td><td rowspan="1" colspan="1">0.5000</td><td rowspan="1" colspan="1">0.5000</td><td rowspan="1" colspan="1">0.00677 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">Mn2</td><td rowspan="1" colspan="1">0.89650 (3)</td><td rowspan="1" colspan="1">0.85638 (2)</td><td rowspan="1" colspan="1">0.40357 (2)</td><td rowspan="1" colspan="1">0.00891 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">P1</td><td rowspan="1" colspan="1">0.14462 (4)</td><td rowspan="1" colspan="1">0.70256 (4)</td><td rowspan="1" colspan="1">0.22974 (3)</td><td rowspan="1" colspan="1">0.00542 (6)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">P2</td><td rowspan="1" colspan="1">0.65079 (4)</td><td rowspan="1" colspan="1">0.71451 (4)</td><td rowspan="1" colspan="1">0.56233 (3)</td><td rowspan="1" colspan="1">0.00649 (6)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O1</td><td rowspan="1" colspan="1">0.06059 (13)</td><td rowspan="1" colspan="1">0.67784 (12)</td><td rowspan="1" colspan="1">0.35944 (10)</td><td rowspan="1" colspan="1">0.00966 (17)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O2</td><td rowspan="1" colspan="1">0.06622 (13)</td><td rowspan="1" colspan="1">0.59473 (11)</td><td rowspan="1" colspan="1">0.10796 (10)</td><td rowspan="1" colspan="1">0.01019 (17)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O3</td><td rowspan="1" colspan="1">0.11920 (13)</td><td rowspan="1" colspan="1">0.86980 (11)</td><td rowspan="1" colspan="1">0.18530 (11)</td><td rowspan="1" colspan="1">0.01016 (17)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O4</td><td rowspan="1" colspan="1">0.34252 (13)</td><td rowspan="1" colspan="1">0.67330 (12)</td><td rowspan="1" colspan="1">0.27411 (10)</td><td rowspan="1" colspan="1">0.01050 (17)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O5</td><td rowspan="1" colspan="1">0.70244 (14)</td><td rowspan="1" colspan="1">0.69325 (14)</td><td rowspan="1" colspan="1">0.72158 (10)</td><td rowspan="1" colspan="1">0.0141 (2)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O6</td><td rowspan="1" colspan="1">0.75819 (13)</td><td rowspan="1" colspan="1">0.62546 (12)</td><td rowspan="1" colspan="1">0.47491 (11)</td><td rowspan="1" colspan="1">0.01179 (18)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O7</td><td rowspan="1" colspan="1">0.65059 (15)</td><td rowspan="1" colspan="1">0.88211 (12)</td><td rowspan="1" colspan="1">0.51673 (11)</td><td rowspan="1" colspan="1">0.01383 (19)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O8</td><td rowspan="1" colspan="1">0.45824 (13)</td><td rowspan="1" colspan="1">0.65486 (13)</td><td rowspan="1" colspan="1">0.53325 (11)</td><td rowspan="1" colspan="1">0.01209 (19)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H8</td><td rowspan="1" colspan="1">0.4169</td><td rowspan="1" colspan="1">0.6607</td><td rowspan="1" colspan="1">0.4482</td><td rowspan="1" colspan="1">0.018*</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="d1e1159"><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">Sr1</td><td rowspan="1" colspan="1">0.00960 (6)</td><td rowspan="1" colspan="1">0.01026 (6)</td><td rowspan="1" colspan="1">0.01085 (5)</td><td rowspan="1" colspan="1">0.00204 (4)</td><td rowspan="1" colspan="1">0.00384 (4)</td><td rowspan="1" colspan="1">0.00216 (4)</td></tr><tr><td rowspan="1" colspan="1">Mn1</td><td rowspan="1" colspan="1">0.00742 (11)</td><td rowspan="1" colspan="1">0.00597 (11)</td><td rowspan="1" colspan="1">0.00692 (11)</td><td rowspan="1" colspan="1">0.00076 (8)</td><td rowspan="1" colspan="1">0.00144 (8)</td><td rowspan="1" colspan="1">−0.00002 (8)</td></tr><tr><td rowspan="1" colspan="1">Mn2</td><td rowspan="1" colspan="1">0.00962 (9)</td><td rowspan="1" colspan="1">0.00758 (9)</td><td rowspan="1" colspan="1">0.00837 (8)</td><td rowspan="1" colspan="1">0.00006 (6)</td><td rowspan="1" colspan="1">−0.00103 (6)</td><td rowspan="1" colspan="1">−0.00030 (6)</td></tr><tr><td rowspan="1" colspan="1">P1</td><td rowspan="1" colspan="1">0.00572 (12)</td><td rowspan="1" colspan="1">0.00557 (12)</td><td rowspan="1" colspan="1">0.00475 (12)</td><td rowspan="1" colspan="1">−0.00013 (10)</td><td rowspan="1" colspan="1">0.00052 (9)</td><td rowspan="1" colspan="1">0.00000 (9)</td></tr><tr><td rowspan="1" colspan="1">P2</td><td rowspan="1" colspan="1">0.00632 (13)</td><td rowspan="1" colspan="1">0.00796 (13)</td><td rowspan="1" colspan="1">0.00540 (12)</td><td rowspan="1" colspan="1">0.00034 (10)</td><td rowspan="1" colspan="1">0.00167 (10)</td><td rowspan="1" colspan="1">−0.00007 (10)</td></tr><tr><td rowspan="1" colspan="1">O1</td><td rowspan="1" colspan="1">0.0108 (4)</td><td rowspan="1" colspan="1">0.0108 (4)</td><td rowspan="1" colspan="1">0.0085 (4)</td><td rowspan="1" colspan="1">0.0003 (3)</td><td rowspan="1" colspan="1">0.0047 (3)</td><td rowspan="1" colspan="1">0.0012 (3)</td></tr><tr><td rowspan="1" colspan="1">O2</td><td rowspan="1" colspan="1">0.0137 (4)</td><td rowspan="1" colspan="1">0.0079 (4)</td><td rowspan="1" colspan="1">0.0073 (4)</td><td rowspan="1" colspan="1">−0.0001 (3)</td><td rowspan="1" colspan="1">−0.0019 (3)</td><td rowspan="1" colspan="1">−0.0020 (3)</td></tr><tr><td rowspan="1" colspan="1">O3</td><td rowspan="1" colspan="1">0.0126 (4)</td><td rowspan="1" colspan="1">0.0057 (4)</td><td rowspan="1" colspan="1">0.0109 (4)</td><td rowspan="1" colspan="1">0.0000 (3)</td><td rowspan="1" colspan="1">−0.0007 (3)</td><td rowspan="1" colspan="1">0.0021 (3)</td></tr><tr><td rowspan="1" colspan="1">O4</td><td rowspan="1" colspan="1">0.0064 (4)</td><td rowspan="1" colspan="1">0.0154 (5)</td><td rowspan="1" colspan="1">0.0093 (4)</td><td rowspan="1" colspan="1">0.0019 (3)</td><td rowspan="1" colspan="1">0.0007 (3)</td><td rowspan="1" colspan="1">0.0004 (3)</td></tr><tr><td rowspan="1" colspan="1">O5</td><td rowspan="1" colspan="1">0.0105 (4)</td><td rowspan="1" colspan="1">0.0256 (6)</td><td rowspan="1" colspan="1">0.0055 (4)</td><td rowspan="1" colspan="1">−0.0009 (4)</td><td rowspan="1" colspan="1">0.0002 (3)</td><td rowspan="1" colspan="1">0.0008 (4)</td></tr><tr><td rowspan="1" colspan="1">O6</td><td rowspan="1" colspan="1">0.0109 (4)</td><td rowspan="1" colspan="1">0.0151 (5)</td><td rowspan="1" colspan="1">0.0104 (4)</td><td rowspan="1" colspan="1">0.0054 (4)</td><td rowspan="1" colspan="1">0.0047 (3)</td><td rowspan="1" colspan="1">−0.0002 (3)</td></tr><tr><td rowspan="1" colspan="1">O7</td><td rowspan="1" colspan="1">0.0202 (5)</td><td rowspan="1" colspan="1">0.0076 (4)</td><td rowspan="1" colspan="1">0.0148 (4)</td><td rowspan="1" colspan="1">−0.0001 (4)</td><td rowspan="1" colspan="1">0.0061 (4)</td><td rowspan="1" colspan="1">0.0003 (3)</td></tr><tr><td rowspan="1" colspan="1">O8</td><td rowspan="1" colspan="1">0.0074 (4)</td><td rowspan="1" colspan="1">0.0203 (5)</td><td rowspan="1" colspan="1">0.0083 (4)</td><td rowspan="1" colspan="1">−0.0033 (4)</td><td rowspan="1" colspan="1">0.0008 (3)</td><td rowspan="1" colspan="1">0.0009 (3)</td></tr></table></table-wrap></sec><sec id="tablewrapgeomlong"><title>Geometric parameters (Å, º)</title><table-wrap position="anchor" id="d1e1425"><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">Sr1—O3<sup>i</sup></td><td rowspan="1" colspan="1">2.5641 (10)</td><td rowspan="1" colspan="1">Mn2—O1<sup>vi</sup></td><td rowspan="1" colspan="1">2.1248 (10)</td></tr><tr><td rowspan="1" colspan="1">Sr1—O4</td><td rowspan="1" colspan="1">2.5806 (10)</td><td rowspan="1" colspan="1">Mn2—O5<sup>iii</sup></td><td rowspan="1" colspan="1">2.1256 (10)</td></tr><tr><td rowspan="1" colspan="1">Sr1—O8<sup>ii</sup></td><td rowspan="1" colspan="1">2.5775 (11)</td><td rowspan="1" colspan="1">Mn2—O2<sup>v</sup></td><td rowspan="1" colspan="1">2.1875 (9)</td></tr><tr><td rowspan="1" colspan="1">Sr1—O7<sup>iii</sup></td><td rowspan="1" colspan="1">2.5981 (11)</td><td rowspan="1" colspan="1">Mn2—O7</td><td rowspan="1" colspan="1">2.4079 (12)</td></tr><tr><td rowspan="1" colspan="1">Sr1—O5<sup>ii</sup></td><td rowspan="1" colspan="1">2.7409 (11)</td><td rowspan="1" colspan="1">Mn2—O6</td><td rowspan="1" colspan="1">2.4609 (11)</td></tr><tr><td rowspan="1" colspan="1">Sr1—O4<sup>i</sup></td><td rowspan="1" colspan="1">2.7599 (11)</td><td rowspan="1" colspan="1">P1—O3</td><td rowspan="1" colspan="1">1.5312 (10)</td></tr><tr><td rowspan="1" colspan="1">Sr1—O6</td><td rowspan="1" colspan="1">2.7923 (10)</td><td rowspan="1" colspan="1">P1—O2</td><td rowspan="1" colspan="1">1.5365 (10)</td></tr><tr><td rowspan="1" colspan="1">Sr1—O7<sup>i</sup></td><td rowspan="1" colspan="1">2.8207 (11)</td><td rowspan="1" colspan="1">P1—O1</td><td rowspan="1" colspan="1">1.5377 (10)</td></tr><tr><td rowspan="1" colspan="1">Sr1—O5<sup>iii</sup></td><td rowspan="1" colspan="1">3.0680 (12)</td><td rowspan="1" colspan="1">P1—O4</td><td rowspan="1" colspan="1">1.5494 (10)</td></tr><tr><td rowspan="1" colspan="1">Mn1—O6</td><td rowspan="1" colspan="1">2.1670 (10)</td><td rowspan="1" colspan="1">P2—O5</td><td rowspan="1" colspan="1">1.5160 (10)</td></tr><tr><td rowspan="1" colspan="1">Mn1—O6<sup>iv</sup></td><td rowspan="1" colspan="1">2.1670 (10)</td><td rowspan="1" colspan="1">P2—O6</td><td rowspan="1" colspan="1">1.5201 (11)</td></tr><tr><td rowspan="1" colspan="1">Mn1—O3<sup>v</sup></td><td rowspan="1" colspan="1">2.1672 (9)</td><td rowspan="1" colspan="1">P2—O7</td><td rowspan="1" colspan="1">1.5352 (11)</td></tr><tr><td rowspan="1" colspan="1">Mn1—O3<sup>i</sup></td><td rowspan="1" colspan="1">2.1672 (9)</td><td rowspan="1" colspan="1">P2—O8</td><td rowspan="1" colspan="1">1.5721 (11)</td></tr><tr><td rowspan="1" colspan="1">Mn1—O1<sup>ii</sup></td><td rowspan="1" colspan="1">2.1786 (10)</td><td rowspan="1" colspan="1">P2—Sr1<sup>viii</sup></td><td rowspan="1" colspan="1">3.2838 (4)</td></tr><tr><td rowspan="1" colspan="1">Mn1—O1<sup>vi</sup></td><td rowspan="1" colspan="1">2.1786 (10)</td><td rowspan="1" colspan="1">O8—H8</td><td rowspan="1" colspan="1">0.8200</td></tr><tr><td rowspan="1" colspan="1">Mn2—O2<sup>vii</sup></td><td rowspan="1" colspan="1">2.1189 (10)</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">O3<sup>i</sup>—Sr1—O4</td><td rowspan="1" colspan="1">148.09 (3)</td><td rowspan="1" colspan="1">O6<sup>iv</sup>—Mn1—O3<sup>i</sup></td><td rowspan="1" colspan="1">92.85 (4)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Sr1—O8<sup>ii</sup></td><td rowspan="1" colspan="1">79.54 (3)</td><td rowspan="1" colspan="1">O3<sup>v</sup>—Mn1—O3<sup>i</sup></td><td rowspan="1" colspan="1">180.0</td></tr><tr><td rowspan="1" colspan="1">O4—Sr1—O8<sup>ii</sup></td><td rowspan="1" colspan="1">88.83 (3)</td><td rowspan="1" colspan="1">O6—Mn1—O1<sup>ii</sup></td><td rowspan="1" colspan="1">97.99 (4)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Sr1—O7<sup>iii</sup></td><td rowspan="1" colspan="1">93.63 (3)</td><td rowspan="1" colspan="1">O6<sup>iv</sup>—Mn1—O1<sup>ii</sup></td><td rowspan="1" colspan="1">82.01 (4)</td></tr><tr><td rowspan="1" colspan="1">O4—Sr1—O7<sup>iii</sup></td><td rowspan="1" colspan="1">95.05 (3)</td><td rowspan="1" colspan="1">O3<sup>v</sup>—Mn1—O1<sup>ii</sup></td><td rowspan="1" colspan="1">88.84 (4)</td></tr><tr><td rowspan="1" colspan="1">O8<sup>ii</sup>—Sr1—O7<sup>iii</sup></td><td rowspan="1" colspan="1">172.09 (3)</td><td rowspan="1" colspan="1">O3<sup>i</sup>—Mn1—O1<sup>ii</sup></td><td rowspan="1" colspan="1">91.16 (4)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Sr1—O5<sup>ii</sup></td><td rowspan="1" colspan="1">118.41 (3)</td><td rowspan="1" colspan="1">O6—Mn1—O1<sup>vi</sup></td><td rowspan="1" colspan="1">82.01 (4)</td></tr><tr><td rowspan="1" colspan="1">O4—Sr1—O5<sup>ii</sup></td><td rowspan="1" colspan="1">74.91 (4)</td><td rowspan="1" colspan="1">O6<sup>iv</sup>—Mn1—O1<sup>vi</sup></td><td rowspan="1" colspan="1">97.99 (4)</td></tr><tr><td rowspan="1" colspan="1">O8<sup>ii</sup>—Sr1—O5<sup>ii</sup></td><td rowspan="1" colspan="1">53.21 (3)</td><td rowspan="1" colspan="1">O3<sup>v</sup>—Mn1—O1<sup>vi</sup></td><td rowspan="1" colspan="1">91.16 (4)</td></tr><tr><td rowspan="1" colspan="1">O7<sup>iii</sup>—Sr1—O5<sup>ii</sup></td><td rowspan="1" colspan="1">134.52 (3)</td><td rowspan="1" colspan="1">O3<sup>i</sup>—Mn1—O1<sup>vi</sup></td><td rowspan="1" colspan="1">88.84 (4)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Sr1—O4<sup>i</sup></td><td rowspan="1" colspan="1">55.56 (3)</td><td rowspan="1" colspan="1">O1<sup>ii</sup>—Mn1—O1<sup>vi</sup></td><td rowspan="1" colspan="1">180.0</td></tr><tr><td rowspan="1" colspan="1">O4—Sr1—O4<sup>i</sup></td><td rowspan="1" colspan="1">145.79 (2)</td><td rowspan="1" colspan="1">O2<sup>vii</sup>—Mn2—O1<sup>vi</sup></td><td rowspan="1" colspan="1">128.50 (4)</td></tr><tr><td rowspan="1" colspan="1">O8<sup>ii</sup>—Sr1—O4<sup>i</sup></td><td rowspan="1" colspan="1">69.60 (3)</td><td rowspan="1" colspan="1">O2<sup>vii</sup>—Mn2—O5<sup>iii</sup></td><td rowspan="1" colspan="1">104.08 (4)</td></tr><tr><td rowspan="1" colspan="1">O7<sup>iii</sup>—Sr1—O4<sup>i</sup></td><td rowspan="1" colspan="1">109.86 (3)</td><td rowspan="1" colspan="1">O1<sup>vi</sup>—Mn2—O5<sup>iii</sup></td><td rowspan="1" colspan="1">92.78 (4)</td></tr><tr><td rowspan="1" colspan="1">O5<sup>ii</sup>—Sr1—O4<sup>i</sup></td><td rowspan="1" colspan="1">70.92 (3)</td><td rowspan="1" colspan="1">O2<sup>vii</sup>—Mn2—O2<sup>v</sup></td><td rowspan="1" colspan="1">77.72 (4)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Sr1—O6</td><td rowspan="1" colspan="1">67.65 (3)</td><td rowspan="1" colspan="1">O1<sup>vi</sup>—Mn2—O2<sup>v</sup></td><td rowspan="1" colspan="1">92.21 (4)</td></tr><tr><td rowspan="1" colspan="1">O4—Sr1—O6</td><td rowspan="1" colspan="1">80.44 (3)</td><td rowspan="1" colspan="1">O5<sup>iii</sup>—Mn2—O2<sup>v</sup></td><td rowspan="1" colspan="1">171.78 (4)</td></tr><tr><td rowspan="1" colspan="1">O8<sup>ii</sup>—Sr1—O6</td><td rowspan="1" colspan="1">67.36 (3)</td><td rowspan="1" colspan="1">O2<sup>vii</sup>—Mn2—O7</td><td rowspan="1" colspan="1">93.58 (4)</td></tr><tr><td rowspan="1" colspan="1">O7<sup>iii</sup>—Sr1—O6</td><td rowspan="1" colspan="1">106.45 (3)</td><td rowspan="1" colspan="1">O1<sup>vi</sup>—Mn2—O7</td><td rowspan="1" colspan="1">137.06 (4)</td></tr><tr><td rowspan="1" colspan="1">O5<sup>ii</sup>—Sr1—O6</td><td rowspan="1" colspan="1">114.99 (3)</td><td rowspan="1" colspan="1">O5<sup>iii</sup>—Mn2—O7</td><td rowspan="1" colspan="1">83.28 (4)</td></tr><tr><td rowspan="1" colspan="1">O4<sup>i</sup>—Sr1—O6</td><td rowspan="1" colspan="1">112.72 (3)</td><td rowspan="1" colspan="1">O2<sup>v</sup>—Mn2—O7</td><td rowspan="1" colspan="1">88.62 (4)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Sr1—O7<sup>i</sup></td><td rowspan="1" colspan="1">122.54 (3)</td><td rowspan="1" colspan="1">O2<sup>vii</sup>—Mn2—O6</td><td rowspan="1" colspan="1">154.34 (4)</td></tr><tr><td rowspan="1" colspan="1">O4—Sr1—O7<sup>i</sup></td><td rowspan="1" colspan="1">89.23 (3)</td><td rowspan="1" colspan="1">O1<sup>vi</sup>—Mn2—O6</td><td rowspan="1" colspan="1">76.51 (4)</td></tr><tr><td rowspan="1" colspan="1">O8<sup>ii</sup>—Sr1—O7<sup>i</sup></td><td rowspan="1" colspan="1">117.08 (3)</td><td rowspan="1" colspan="1">O5<sup>iii</sup>—Mn2—O6</td><td rowspan="1" colspan="1">77.09 (4)</td></tr><tr><td rowspan="1" colspan="1">O7<sup>iii</sup>—Sr1—O7<sup>i</sup></td><td rowspan="1" colspan="1">69.95 (4)</td><td rowspan="1" colspan="1">O2<sup>v</sup>—Mn2—O6</td><td rowspan="1" colspan="1">97.77 (4)</td></tr><tr><td rowspan="1" colspan="1">O5<sup>ii</sup>—Sr1—O7<sup>i</sup></td><td rowspan="1" colspan="1">65.75 (3)</td><td rowspan="1" colspan="1">O7—Mn2—O6</td><td rowspan="1" colspan="1">60.88 (4)</td></tr><tr><td rowspan="1" colspan="1">O4<sup>i</sup>—Sr1—O7<sup>i</sup></td><td rowspan="1" colspan="1">78.31 (3)</td><td rowspan="1" colspan="1">O3—P1—O2</td><td rowspan="1" colspan="1">111.57 (5)</td></tr><tr><td rowspan="1" colspan="1">O6—Sr1—O7<sup>i</sup></td><td rowspan="1" colspan="1">168.81 (3)</td><td rowspan="1" colspan="1">O3—P1—O1</td><td rowspan="1" colspan="1">107.97 (6)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Sr1—O5<sup>iii</sup></td><td rowspan="1" colspan="1">93.62 (3)</td><td rowspan="1" colspan="1">O2—P1—O1</td><td rowspan="1" colspan="1">111.08 (6)</td></tr><tr><td rowspan="1" colspan="1">O4—Sr1—O5<sup>iii</sup></td><td rowspan="1" colspan="1">68.17 (3)</td><td rowspan="1" colspan="1">O3—P1—O4</td><td rowspan="1" colspan="1">107.70 (6)</td></tr><tr><td rowspan="1" colspan="1">O8<sup>ii</sup>—Sr1—O5<sup>iii</sup></td><td rowspan="1" colspan="1">123.36 (3)</td><td rowspan="1" colspan="1">O2—P1—O4</td><td rowspan="1" colspan="1">109.65 (6)</td></tr><tr><td rowspan="1" colspan="1">O7<sup>iii</sup>—Sr1—O5<sup>iii</sup></td><td rowspan="1" colspan="1">52.59 (3)</td><td rowspan="1" colspan="1">O1—P1—O4</td><td rowspan="1" colspan="1">108.76 (6)</td></tr><tr><td rowspan="1" colspan="1">O5<sup>ii</sup>—Sr1—O5<sup>iii</sup></td><td rowspan="1" colspan="1">143.06 (3)</td><td rowspan="1" colspan="1">O5—P2—O6</td><td rowspan="1" colspan="1">115.38 (6)</td></tr><tr><td rowspan="1" colspan="1">O4<sup>i</sup>—Sr1—O5<sup>iii</sup></td><td rowspan="1" colspan="1">145.93 (3)</td><td rowspan="1" colspan="1">O5—P2—O7</td><td rowspan="1" colspan="1">113.04 (6)</td></tr><tr><td rowspan="1" colspan="1">O6—Sr1—O5<sup>iii</sup></td><td rowspan="1" colspan="1">58.42 (3)</td><td rowspan="1" colspan="1">O6—P2—O7</td><td rowspan="1" colspan="1">107.71 (6)</td></tr><tr><td rowspan="1" colspan="1">O7<sup>i</sup>—Sr1—O5<sup>iii</sup></td><td rowspan="1" colspan="1">113.67 (3)</td><td rowspan="1" colspan="1">O5—P2—O8</td><td rowspan="1" colspan="1">101.19 (6)</td></tr><tr><td rowspan="1" colspan="1">O6—Mn1—O6<sup>iv</sup></td><td rowspan="1" colspan="1">180.0</td><td rowspan="1" colspan="1">O6—P2—O8</td><td rowspan="1" colspan="1">110.48 (6)</td></tr><tr><td rowspan="1" colspan="1">O6—Mn1—O3<sup>v</sup></td><td rowspan="1" colspan="1">92.85 (4)</td><td rowspan="1" colspan="1">O7—P2—O8</td><td rowspan="1" colspan="1">108.78 (6)</td></tr><tr><td rowspan="1" colspan="1">O6<sup>iv</sup>—Mn1—O3<sup>v</sup></td><td rowspan="1" colspan="1">87.15 (4)</td><td rowspan="1" colspan="1">O5—P2—Mn2</td><td rowspan="1" colspan="1">120.08 (4)</td></tr><tr><td rowspan="1" colspan="1">O6—Mn1—O3<sup>i</sup></td><td rowspan="1" colspan="1">87.15 (4)</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>−1/2, −<italic>z</italic>+1/2; (ii) −<italic>x</italic>+1, −<italic>y</italic>+1, −<italic>z</italic>+1; (iii) <italic>x</italic>, −<italic>y</italic>+3/2, <italic>z</italic>−1/2; (iv) −<italic>x</italic>+2, −<italic>y</italic>+1, −<italic>z</italic>+1; (v) <italic>x</italic>+1, −<italic>y</italic>+3/2, <italic>z</italic>+1/2; (vi) <italic>x</italic>+1, <italic>y</italic>, <italic>z</italic>; (vii) −<italic>x</italic>+1, <italic>y</italic>+1/2, −<italic>z</italic>+1/2; (viii) <italic>x</italic>, −<italic>y</italic>+3/2, <italic>z</italic>+1/2.</p></sec><sec id="tablewraphbondslong"><title>Hydrogen-bond geometry (Å, º)</title><table-wrap position="anchor" id="d1e2349"><table rules="all" frame="box" style="table-layout:fixed" summary=""><colgroup span="5"><col span="1"></col><col span="1"></col><col span="1"></col><col span="1"></col><col span="1"></col></colgroup><tr><td rowspan="1" colspan="1"><italic>D</italic>—H···<italic>A</italic></td><td rowspan="1" colspan="1"><italic>D</italic>—H</td><td rowspan="1" colspan="1">H···<italic>A</italic></td><td rowspan="1" colspan="1"><italic>D</italic>···<italic>A</italic></td><td rowspan="1" colspan="1"><italic>D</italic>—H···<italic>A</italic></td></tr><tr><td rowspan="1" colspan="1">O8—H8···O4</td><td rowspan="1" colspan="1">0.82</td><td rowspan="1" colspan="1">1.66</td><td rowspan="1" colspan="1">2.4828 (14)</td><td rowspan="1" colspan="1">177</td></tr></table></table-wrap></sec></app></app-group><ref-list><title>References</title><ref id="bb1"><mixed-citation publication-type="other">Assani, A., Saadi, M., Zriouil, M. & El Ammari, L. (2012<italic>a</italic>). <italic>Acta Cryst.</italic> E<bold>68</bold>, i30.</mixed-citation></ref><ref id="bb2"><mixed-citation publication-type="other">Assani, A., Saadi, M., Zriouil, M. & El Ammari, L. (2012<italic>b</italic>). <italic>Acta Cryst.</italic> E<bold>68</bold>, i66.</mixed-citation></ref><ref id="bb3"><mixed-citation publication-type="other">Brandenburg, K. (2006). <italic>DIAMOND</italic> Crystal Impact GbR, Bonn, Germany.</mixed-citation></ref><ref id="bb4"><mixed-citation publication-type="other">Bruker (2009). <italic>APEX2</italic>, <italic>SAINT</italic> and <italic>SADABS</italic> Bruker AXS Inc., Madison, Wisconsin, USA.</mixed-citation></ref><ref id="bb5"><mixed-citation publication-type="other">Cheetham, A. K., Férey, G. & Loiseau, T. (1999). <italic>Angew. Chem. Int. Ed.</italic><bold>38</bold>, 3268–3292.</mixed-citation></ref><ref id="bb6"><mixed-citation publication-type="other">Clearfield, A. (1988). <italic>Chem. Rev.</italic><bold>88</bold>, 125–148.</mixed-citation></ref><ref id="bb7"><mixed-citation publication-type="other">Effenberger, H. (1999). <italic>J. Solid State Chem.</italic><bold>142</bold>, 6–13.</mixed-citation></ref><ref id="bb8"><mixed-citation publication-type="other">Farrugia, L. J. (2012). <italic>J. Appl. Cryst.</italic><bold>45</bold>, 849–854.</mixed-citation></ref><ref id="bb9"><mixed-citation publication-type="other">Forster, P. M., Eckert, J., Chang, J.-S., Park, J.-S., Férey, G. & Cheatham, A. K. (2003). <italic>J. Am. Chem. Soc.</italic><bold>125</bold>, 1309–1312.</mixed-citation></ref><ref id="bb10"><mixed-citation publication-type="other">Joschi, R., Patel, H. & Chudasama, U. (2008). <italic>Indian J. Chem. Technol.</italic><bold>15</bold>, 238–243.</mixed-citation></ref><ref id="bb11"><mixed-citation publication-type="other">Morozov, V. A., Pokholok, K. V., Lazoryak, B. I., Malakho, A. P., Lachgar, A., Lebedev, O. I. & Van Tendeloo, G. (2003). <italic>J. Solid State Chem.</italic><bold>170</bold>, 411–417.</mixed-citation></ref><ref id="bb12"><mixed-citation publication-type="other">Sheldrick, G. M. (2008). <italic>Acta Cryst.</italic> A<bold>64</bold>, 112–122.</mixed-citation></ref><ref id="bb13"><mixed-citation publication-type="other">Trad, K., Carlier, D., Croguennec, L., Wattiaux, A., Ben Amara, M. & Delmas, C. (2010). <italic>Chem. Mater.</italic><bold>22</bold>, 5554–5562.</mixed-citation></ref><ref id="bb14"><mixed-citation publication-type="other">Viter, V. N. & Nagornyi, P. G. (2009). <italic>Russ. J. Appl. Chem.</italic><bold>82</bold>, 935–939.</mixed-citation></ref><ref id="bb15"><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><table-wrap id="table1" position="float"><label>Table 1</label><caption><title>Hydrogen-bond geometry (Å, °)</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"><italic>D</italic>—H⋯<italic>A</italic></th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>—H</th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom">H⋯<italic>A</italic></th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>⋯<italic>A</italic></th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>—H⋯<italic>A</italic></th></tr></thead><tbody valign="top"><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O8—H8⋯O4</td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.82</td><td style="" rowspan="1" colspan="1" align="left" valign="top">1.66</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.4828 (14)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">177</td></tr></tbody></table></table-wrap></floats-group></pmc></record>Pour manipuler ce document sous Unix (Dilib)
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