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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Dilead(II) trimanganese(II) bis(hydrogenphosphate) bis(phosphate)</title><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="Zriouil, Mohammed" sort="Zriouil, Mohammed" uniqKey="Zriouil M" first="Mohammed" last="Zriouil">Mohammed Zriouil</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">22904702</idno><idno type="pmc">3414095</idno><idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414095</idno><idno type="RBID">PMC:3414095</idno><idno type="doi">10.1107/S1600536812033259</idno><date when="2012">2012</date><idno type="wicri:Area/Pmc/Corpus">000356</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000356</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">Dilead(II) trimanganese(II) bis(hydrogenphosphate) bis(phosphate)</title><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="Zriouil, Mohammed" sort="Zriouil, Mohammed" uniqKey="Zriouil M" first="Mohammed" last="Zriouil">Mohammed Zriouil</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="2012">2012</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p>The title compound, Pb<sub>2</sub>Mn<sub>3</sub>(HPO<sub>4</sub>)<sub>2</sub>(PO<sub>4</sub>)<sub>2</sub>, was synthesized by a hydrothermal method. All atoms are in general positions except for one Mn atom which is located on an inversion center. The framework of the structure is built up from PO<sub>4</sub> tetrahedra and two types of MnO<sub>6</sub> octahedra, one almost ideal and the other very distorted with one very long Mn—O bond [2.610 (4) Å compared an average of 2.161 Å for the other bonds]. The centrosymetric octahedron is linked to two distorted MnO<sub>6</sub> octahedra by an edge common, forming infinite zigzag Mn<sub>3</sub>O<sub>14</sub> chains running along the <italic>b</italic> axis. Adjacent chains are linked by PO<sub>4</sub> and PO<sub>3</sub>(OH) tetrahedra through vertices or by edge sharing, forming sheets perpendicular to [100]. The Pb<sup>2+</sup> cations are sandwiched between the layers and ensure the cohesion of the crystal structure. O—H⋯O hydrogen bonding between the layers is also observed.</p></div></front><back><div1 type="bibliography"><listBibl><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct></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">22904702</article-id><article-id pub-id-type="pmc">3414095</article-id><article-id pub-id-type="publisher-id">hp2043</article-id><article-id pub-id-type="doi">10.1107/S1600536812033259</article-id><article-id pub-id-type="coden">ACSEBH</article-id><article-id pub-id-type="pii">S1600536812033259</article-id><article-categories><subj-group subj-group-type="heading"><subject>Inorganic Papers</subject></subj-group></article-categories><title-group><article-title>Dilead(II) trimanganese(II) bis(hydrogenphosphate) bis(phosphate)</article-title><alt-title><italic>Pb<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>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>Zriouil</surname><given-names>Mohammed</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>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>m_zriouil@yahoo.fr</email></corresp></author-notes><pub-date pub-type="collection"><day>01</day><month>8</month><year>2012</year></pub-date><pub-date pub-type="epub"><day>28</day><month>7</month><year>2012</year></pub-date><pub-date pub-type="pmc-release"><day>28</day><month>7</month><year>2012</year></pub-date><pmc-comment> PMC Release delay is 0 months and 0 days and was based on the
<volume>68</volume><issue>Pt 8</issue><issue-id pub-id-type="publisher-id">e120800</issue-id><fpage>i66</fpage><lpage>i66</lpage><history><date date-type="received"><day>19</day><month>6</month><year>2012</year></date><date date-type="accepted"><day>23</day><month>7</month><year>2012</year></date></history><permissions><copyright-statement>© Assani et al. 2012</copyright-statement><copyright-year>2012</copyright-year><license license-type="open-access" xlink:href="http://creativecommons.org/licenses/by/2.0/uk/"><license-p>This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.</license-p></license></permissions><self-uri xlink:type="simple" xlink:href="http://dx.doi.org/10.1107/S1600536812033259">A full version of this article is available from Crystallography Journals Online.</self-uri><abstract><p>The title compound, Pb<sub>2</sub>Mn<sub>3</sub>(HPO<sub>4</sub>)<sub>2</sub>(PO<sub>4</sub>)<sub>2</sub>, was synthesized by a hydrothermal method. All atoms are in general positions except for one Mn atom which is located on an inversion center. The framework of the structure is built up from PO<sub>4</sub> tetrahedra and two types of MnO<sub>6</sub> octahedra, one almost ideal and the other very distorted with one very long Mn—O bond [2.610 (4) Å compared an average of 2.161 Å for the other bonds]. The centrosymetric octahedron is linked to two distorted MnO<sub>6</sub> octahedra by an edge common, forming infinite zigzag Mn<sub>3</sub>O<sub>14</sub> chains running along the <italic>b</italic> axis. Adjacent chains are linked by PO<sub>4</sub> and PO<sub>3</sub>(OH) tetrahedra through vertices or by edge sharing, forming sheets perpendicular to [100]. The Pb<sup>2+</sup> cations are sandwiched between the layers and ensure the cohesion of the crystal structure. O—H⋯O hydrogen bonding between the layers is also observed.</p></abstract></article-meta></front><body><sec id="sec1"><title>Related literature
</title><p>For properties of phosphates and their potential applications, see: Gao & Gao (2005<xref ref-type="bibr" rid="bb12"> ▶</xref>); Viter & Nagornyi (2009<xref ref-type="bibr" rid="bb17"> ▶</xref>); Clearfield (1988<xref ref-type="bibr" rid="bb9"> ▶</xref>); Trad <italic>et al.</italic> (2010<xref ref-type="bibr" rid="bb16"> ▶</xref>). For compounds with related structures, see: Assani <italic>et al.</italic> (2010<xref ref-type="bibr" rid="bb3"> ▶</xref>, 2011<italic>a</italic><xref ref-type="bibr" rid="bb4"> ▶</xref>,<italic>b</italic><xref ref-type="bibr" rid="bb1"> ▶</xref>,<italic>c</italic><xref ref-type="bibr" rid="bb2"> ▶</xref>, 2012<xref ref-type="bibr" rid="bb5"> ▶</xref>); Effenberger (1999<xref ref-type="bibr" rid="bb10"> ▶</xref>). For bond-valence analysis, see: Brown & Altermatt (1985<xref ref-type="bibr" rid="bb7"> ▶</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>Pb<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> = 961.10</p></list-item><list-item><p>Monoclinic, <inline-formula><inline-graphic xlink:href="e-68-00i66-efi17.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula></p></list-item><list-item><p><italic>a</italic> = 7.9449 (2) Å</p></list-item><list-item><p><italic>b</italic> = 8.8911 (2) Å</p></list-item><list-item><p><italic>c</italic> = 9.5718 (3) Å</p></list-item><list-item><p>β = 100.917 (2)°</p></list-item><list-item><p><italic>V</italic> = 663.90 (3) 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 = 28.63 mm<sup>−1</sup></p></list-item><list-item><p><italic>T</italic> = 296 K</p></list-item><list-item><p>0.18 × 0.12 × 0.08 mm</p></list-item></list></p></sec><sec id="sec2.1.2"><title>Data collection
</title><p><list list-type="simple"><list-item><p>Bruker X8 APEXII diffractometer</p></list-item><list-item><p>Absorption correction: multi-scan (<italic>SADABS</italic>; Sheldrick, 2003)<xref ref-type="bibr" rid="bb13"> ▶</xref><italic>T</italic><sub>min</sub> = 0.029, <italic>T</italic><sub>max</sub> = 0.117</p></list-item><list-item><p>8738 measured reflections</p></list-item><list-item><p>1225 independent reflections</p></list-item><list-item><p>1202 reflections with <italic>I</italic> > 2σ(<italic>I</italic>)</p></list-item><list-item><p><italic>R</italic><sub>int</sub> = 0.044</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>)] = 0.020</p></list-item><list-item><p><italic>wR</italic>(<italic>F</italic><sup>2</sup>) = 0.051</p></list-item><list-item><p><italic>S</italic> = 1.10</p></list-item><list-item><p>1225 reflections</p></list-item><list-item><p>116 parameters</p></list-item><list-item><p>H-atom parameters constrained</p></list-item><list-item><p>Δρ<sub>max</sub> = 1.37 e Å<sup>−3</sup></p></list-item><list-item><p>Δρ<sub>min</sub> = −2.03 e Å<sup>−3</sup></p></list-item></list></p></sec></sec><sec id="d5e646"><title></title><p>Data collection: <italic>APEX2</italic> (Bruker, 2005<xref ref-type="bibr" rid="bb8"> ▶</xref>); cell refinement: <italic>SAINT</italic> (Bruker, 2005<xref ref-type="bibr" rid="bb8"> ▶</xref>); data reduction: <italic>SAINT</italic>; program(s) used to solve structure: <italic>SHELXS97</italic> (Sheldrick, 2008<xref ref-type="bibr" rid="bb14"> ▶</xref>); program(s) used to refine structure: <italic>SHELXL97</italic> (Sheldrick, 2008<xref ref-type="bibr" rid="bb14"> ▶</xref>); molecular graphics: <italic>ORTEP-3 for Windows</italic> (Farrugia, 1997<xref ref-type="bibr" rid="bb11"> ▶</xref>) and <italic>DIAMOND</italic> (Brandenburg, 2006<xref ref-type="bibr" rid="bb6"> ▶</xref>); software used to prepare material for publication: <italic>PLATON</italic> (Spek, 2009<xref ref-type="bibr" rid="bb15"> ▶</xref>) and <italic>publCIF</italic> (Westrip, 2010<xref ref-type="bibr" rid="bb18"> ▶</xref>).</p></sec></sec><sec sec-type="supplementary-material"><title>Supplementary Material</title><supplementary-material content-type="local-data" xlink:href="e-68-00i66-sup1.cif" position="float" xlink:type="simple"><p>Crystal structure: contains datablock(s) I, global. DOI: <ext-link ext-link-type="uri" xlink:type="simple" xlink:href="http://dx.doi.org/10.1107/S1600536812033259/hp2043sup1.cif">10.1107/S1600536812033259/hp2043sup1.cif</ext-link></p><media mimetype="chemical" mime-subtype="x-cif" xlink:href="e-68-00i66-sup1.cif" position="float" xlink:type="simple"></media></supplementary-material><supplementary-material content-type="local-data" xlink:href="e-68-00i66-Isup2.hkl" position="float" xlink:type="simple"><p>Structure factors: contains datablock(s) I. DOI: <ext-link ext-link-type="uri" xlink:type="simple" xlink:href="http://dx.doi.org/10.1107/S1600536812033259/hp2043Isup2.hkl">10.1107/S1600536812033259/hp2043Isup2.hkl</ext-link></p><media mimetype="text" mime-subtype="plain" xlink:href="e-68-00i66-Isup2.hkl" position="float" xlink:type="simple"></media></supplementary-material><supplementary-material position="float" xlink:type="simple"><p>Additional supplementary materials: <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendsupfiles?hp2043&file=hp2043sup0.html&mime=text/html" xlink:type="simple"> crystallographic information</ext-link>; <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendcif?hp2043sup1&Qmime=cif" xlink:type="simple">3D view</ext-link>; <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/paper?hp2043&checkcif=yes" xlink:type="simple">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?hp2043">HP2043</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>Owing to their remarkable variety of structures and to their outstanding
potentialities in widespread applications such as catalysis (Viter & Nagornyi,
2009; Gao & Gao, 2005) and ion-exchangers (Clearfield,
1988) and in batteries
performance (Trad <italic>et al.</italic>, (2010)), transition metal based
phosphates
have received great attention and still remains in the forefront of the
developed scientific axes in our laboratory. Within this family of compounds,
the resulting anionic frameworks, generally constructed from the alternation
of PO<sub>4</sub> tetrahedra connected to metal cations in different coordinate
geometry MO<sub>n</sub> (with n=4, 5 and 6), generate pores and channels offering
suitable environment to accommodate different other cations. Accordingly, we
have succeeded to isolate new silver metal based orthophosphates for instance,
AgMg<sub>3</sub>(PO<sub>4</sub>)(HPO<sub>4</sub>)<sub>2</sub> wich represent a new member of the well known
alluaudite-like structure family (Assani <italic>et al.</italic> 2011<italic>a</italic>);
silver
(nickel or cobalt) phosphate, namely, Ag<sub>2</sub><italic>M</italic><sub>3</sub>(HPO<sub>4</sub>)(PO<sub>4</sub>)<sub>2</sub> with
<italic>M</italic>=Ni, Co (Assani <italic>et al.</italic> 2011<italic>b</italic>; Assani <italic>et
al.</italic>2011<italic>c</italic>). Furthermore, a special attention have been paid to the
ternary
system MO—<italic>M</italic>'O—P<sub>2</sub>O<sub>5</sub> with <italic>M</italic>=Ba, Ca, Cd, Pb and Sr and
<italic>M</italic>'= transition metals, Mg and Zn. Our recent investigation has allowed
to the isolate the compounds Ni<sub>2</sub>Sr(PO<sub>4</sub>)<sub>2</sub>.2H<sub>2</sub>O (Assani <italic>et al.</italic>2010) and Co<sub>2</sub>Pb(HPO<sub>4</sub>)(PO<sub>4</sub>)OH H<sub>2</sub>O (Assani <italic>et al.</italic>2012).</p><p>Inline with the focus of our research, the present paper aims to develop the
hydrothermal synthesis and the structural characterization of a new layered
lead manganese orthophosphate, namely, PbMn<sub>1.5</sub>(PO<sub>4</sub>)(HPO<sub>4</sub>), which is
characterized by Mn/P ratio =3/4, rarely encountered in the literature 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).</p><p>A partial three-dimensional plot of the crystal structure of
PbMn<sub>1.5</sub>(PO<sub>4</sub>)(HPO<sub>4</sub>) is represented in Fig. 1. A l l atoms of this
structure are in general positions, except one manganese Mn1 located in
symmetry center (1) 2a (0 0 0; 0 1/2 1/2) of <italic>P</italic>2<sub>1</sub>/<italic>c</italic> space
group. The network is built up from two different types of polyhedra more or
less distorted, <italic>viz</italic>. PO<sub>4</sub>, HPO<sub>4</sub> tetrahedra and Mn1O<sub>6</sub> (1
symmetry), Mn2O<sub>6</sub> octahedra. Moreover, the edge-sharing Mn1O<sub>6</sub> and
Mn2O<sub>5</sub>(OH) octahedra form an infinite zigzag chains <sup>1</sup>∞ [Mn<sub>3</sub>O<sub>14</sub>]
running parallel to [010], as shown in Fig. 2. Adjacent chains are connected
by PO<sub>4</sub> and HPO<sub>4</sub> tetrahedra <italic>via</italic> vertices in the way to build layers
parallel to (100). These layers are in turn linked by Pb<sup>2+</sup> cations as shown
in Fig.2. The strong hydrogen bonding between the layers is also involved in
the stability of this structure (Fig. 2 and Table 2).</p><p>Bond valence sum calculations (Brown & Altermatt, 1985) for Pb1<sup>2+</sup>,
Mn1<sup>2+</sup>,
Mb2<sup>2+</sup>, P1<sup>5+</sup> and P2<sup>5+</sup> ions are as expected, <italic>viz</italic>. 1.82, 2.13, 1.97,
4.95 and 5.01 valence units, respectively. The values of the bond valence sums
calculated for all oxygen atoms are between 1.93 and 2.05 except O4 and O8
which shown low values: 1.62 and 1.50 respectively. These atoms are
considerably undersaturated and thus act as an acceptor with a very short
H-bond (Table 2, Fig.1).</p></sec><sec id="experimental"><title>Experimental </title><p>The crystals of the title compound is isolated from the hydrothermal treatment
of the reaction mixture of lead oxide, metallic manganese and 85wt% phosphoric
acid in a proportion corresponding to the molar ratio Pb:Mn:<italic>P</italic> = 1,5:
3:3.</p><p>The hydrothermal reaction was conducted in a 23 ml Teflon-lined autoclave,
filled to 50% with distilled water and under autogeneous pressure at 483 K for
twenty hours. After being filtered off, washed with deionized water and air
dried, the reaction product consists of a light brown solid and colorless
sheet shaped crystals corresponding to the title compound.</p></sec><sec id="refinement"><title>Refinement </title><p>The O-bound H atoms were initially located in a difference map and refined with
O—H distance restraints of 0.86 (1). In the last cycle they were refined in
the riding model approximation with <italic>U</italic><sub>iso</sub>(H) set to
1.2<italic>U</italic><sub>eq</sub>(O). The highest peak and the deepest hole in the final Fourier
map are at 0.62 Å and 0.67 Å, respectively, from Pb1. The not significants
bonds and angles were removed from the CIF file.</p></sec><sec id="figures"><title>Figures</title><fig id="Fap1"><label>Fig. 1.</label><caption><p>A partial three-dimensional plot of the crystal structure of the title compound. Displacement ellipsoids are drawn at the 50% probability level. Symmetry codes:(i) x, -y + 3/2, z + 1/2; (ii) -x + 1, -y + 1, -z + 1; (iii) -x + 1, y - 1/2, -z + 3/2; (iv) -x, y - 1/2, -z + 1/2; (v) x - 1, y, z; (vi) -x, -y + 1, -z + 1; (vii) x, -y + 1/2, z + 1/2; (viii) x, -y + 1/2, z - 1/2; (ix) -x, y + 1/2, -z + 1/2; (x) x, -y + 3/2, z - 1/2; (xi) -x + 1, y + 1/2, -z + 3/2; (xii) x + 1, y, z.</p></caption><graphic xlink:href="e-68-00i66-fig1"></graphic></fig><fig id="Fap2"><label>Fig. 2.</label><caption><p>A three-dimensional polyhedral view of the crystal structure of the PbMn1.5(PO4)(HPO4), showing the stacking of layers along the a axis and the hydrogen bonding scheme (dashed lines).</p></caption><graphic xlink:href="e-68-00i66-fig2"></graphic></fig></sec><sec id="tablewrapcrystaldatalong"><title>Crystal data</title><table-wrap position="anchor" id="d1e480"><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">Pb<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) = 858</td></tr><tr><td rowspan="1" colspan="1"><italic>M</italic><italic><sub>r</sub></italic> = 961.10</td><td rowspan="1" colspan="1"><italic>D</italic><sub>x</sub> = 4.808 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 1225 reflections</td></tr><tr><td rowspan="1" colspan="1"><italic>a</italic> = 7.9449 (2) Å</td><td rowspan="1" colspan="1">θ = 2.6–25.4°</td></tr><tr><td rowspan="1" colspan="1"><italic>b</italic> = 8.8911 (2) Å</td><td rowspan="1" colspan="1">µ = 28.63 mm<sup>−</sup><sup>1</sup></td></tr><tr><td rowspan="1" colspan="1"><italic>c</italic> = 9.5718 (3) Å</td><td rowspan="1" colspan="1"><italic>T</italic> = 296 K</td></tr><tr><td rowspan="1" colspan="1">β = 100.917 (2)°</td><td rowspan="1" colspan="1">Prism, pink</td></tr><tr><td rowspan="1" colspan="1"><italic>V</italic> = 663.90 (3) Å<sup>3</sup></td><td rowspan="1" colspan="1">0.18 × 0.12 × 0.08 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="d1e617"><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 X8 APEXII diffractometer</td><td rowspan="1" colspan="1">1225 independent reflections</td></tr><tr><td rowspan="1" colspan="1">Radiation source: fine-focus sealed tube</td><td rowspan="1" colspan="1">1202 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> = 0.044</td></tr><tr><td rowspan="1" colspan="1">φ and ω scans</td><td rowspan="1" colspan="1">θ<sub>max</sub> = 25.4°, θ<sub>min</sub> = 2.6°</td></tr><tr><td rowspan="1" colspan="1">Absorption correction: multi-scan (<italic>SADABS</italic>; Sheldrick, 2003)</td><td rowspan="1" colspan="1"><italic>h</italic> = −9→9</td></tr><tr><td rowspan="1" colspan="1"><italic>T</italic><sub>min</sub> = 0.029, <italic>T</italic><sub>max</sub> = 0.117</td><td rowspan="1" colspan="1"><italic>k</italic> = −10→10</td></tr><tr><td rowspan="1" colspan="1">8738 measured reflections</td><td rowspan="1" colspan="1"><italic>l</italic> = −11→11</td></tr></table></table-wrap></sec><sec id="tablewraprefinementdatalong"><title>Refinement</title><table-wrap position="anchor" id="d1e734"><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">Secondary atom site location: difference Fourier map</td></tr><tr><td rowspan="1" colspan="1">Least-squares matrix: full</td><td rowspan="1" colspan="1">Hydrogen site location: inferred from neighbouring sites</td></tr><tr><td rowspan="1" colspan="1"><italic>R</italic>[<italic>F</italic><sup>2</sup> > 2σ(<italic>F</italic><sup>2</sup>)] = 0.020</td><td rowspan="1" colspan="1">H-atom parameters constrained</td></tr><tr><td rowspan="1" colspan="1"><italic>wR</italic>(<italic>F</italic><sup>2</sup>) = 0.051</td><td rowspan="1" colspan="1"><italic>w</italic> = 1/[σ<sup>2</sup>(<italic>F</italic><sub>o</sub><sup>2</sup>) + (0.0232<italic>P</italic>)<sup>2</sup> + 2.912<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>S</italic> = 1.10</td><td rowspan="1" colspan="1">(Δ/σ)<sub>max</sub> = 0.001</td></tr><tr><td rowspan="1" colspan="1">1225 reflections</td><td rowspan="1" colspan="1">Δρ<sub>max</sub> = 1.37 e Å<sup>−</sup><sup>3</sup></td></tr><tr><td rowspan="1" colspan="1">116 parameters</td><td rowspan="1" colspan="1">Δρ<sub>min</sub> = −2.03 e Å<sup>−</sup><sup>3</sup></td></tr><tr><td rowspan="1" colspan="1">0 restraints</td><td rowspan="1" colspan="1">Extinction correction: <italic>SHELXL97</italic> (Sheldrick, 2008), 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">Primary atom site location: structure-invariant direct methods</td><td rowspan="1" colspan="1">Extinction coefficient: 0.0091 (4)</td></tr></table></table-wrap></sec><sec id="specialdetails"><title>Special details</title><table-wrap position="anchor" id="d1e915"><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="d1e1014"><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">Pb1</td><td rowspan="1" colspan="1">0.41097 (3)</td><td rowspan="1" colspan="1">0.52400 (2)</td><td rowspan="1" colspan="1">0.75343 (2)</td><td rowspan="1" colspan="1">0.01734 (13)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">Mn1</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.5000</td><td rowspan="1" colspan="1">0.5000</td><td rowspan="1" colspan="1">0.0091 (2)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">Mn2</td><td rowspan="1" colspan="1">0.10770 (9)</td><td rowspan="1" colspan="1">0.13892 (8)</td><td rowspan="1" colspan="1">0.59303 (7)</td><td rowspan="1" colspan="1">0.00981 (19)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">P1</td><td rowspan="1" colspan="1">0.14019 (16)</td><td rowspan="1" colspan="1">0.70441 (14)</td><td rowspan="1" colspan="1">0.23105 (12)</td><td rowspan="1" colspan="1">0.0076 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">P2</td><td rowspan="1" colspan="1">0.65619 (16)</td><td rowspan="1" colspan="1">0.70724 (14)</td><td rowspan="1" colspan="1">0.56583 (12)</td><td rowspan="1" colspan="1">0.0087 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O1</td><td rowspan="1" colspan="1">0.0496 (5)</td><td rowspan="1" colspan="1">0.6808 (4)</td><td rowspan="1" colspan="1">0.3570 (4)</td><td rowspan="1" colspan="1">0.0123 (7)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O2</td><td rowspan="1" colspan="1">0.0740 (5)</td><td rowspan="1" colspan="1">0.5969 (4)</td><td rowspan="1" colspan="1">0.1080 (3)</td><td rowspan="1" colspan="1">0.0122 (7)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O3</td><td rowspan="1" colspan="1">0.1156 (5)</td><td rowspan="1" colspan="1">0.8690 (4)</td><td rowspan="1" colspan="1">0.1828 (4)</td><td rowspan="1" colspan="1">0.0127 (7)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O4</td><td rowspan="1" colspan="1">0.3370 (5)</td><td rowspan="1" colspan="1">0.6828 (4)</td><td rowspan="1" colspan="1">0.2816 (4)</td><td rowspan="1" colspan="1">0.0133 (7)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O5</td><td rowspan="1" colspan="1">0.7064 (5)</td><td rowspan="1" colspan="1">0.6754 (5)</td><td rowspan="1" colspan="1">0.7236 (4)</td><td rowspan="1" colspan="1">0.0208 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O6</td><td rowspan="1" colspan="1">0.7536 (5)</td><td rowspan="1" colspan="1">0.6118 (4)</td><td rowspan="1" colspan="1">0.4742 (4)</td><td rowspan="1" colspan="1">0.0152 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O7</td><td rowspan="1" colspan="1">0.6777 (5)</td><td rowspan="1" colspan="1">0.8718 (4)</td><td rowspan="1" colspan="1">0.5276 (4)</td><td rowspan="1" colspan="1">0.0212 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O8</td><td rowspan="1" colspan="1">0.4617 (5)</td><td rowspan="1" colspan="1">0.6642 (4)</td><td rowspan="1" colspan="1">0.5341 (4)</td><td rowspan="1" colspan="1">0.0146 (7)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H8</td><td rowspan="1" colspan="1">0.4002</td><td rowspan="1" colspan="1">0.6667</td><td rowspan="1" colspan="1">0.4499</td><td rowspan="1" colspan="1">0.022*</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="d1e1219"><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">Pb1</td><td rowspan="1" colspan="1">0.01783 (17)</td><td rowspan="1" colspan="1">0.01676 (17)</td><td rowspan="1" colspan="1">0.01923 (17)</td><td rowspan="1" colspan="1">0.00271 (7)</td><td rowspan="1" colspan="1">0.00812 (10)</td><td rowspan="1" colspan="1">0.00201 (7)</td></tr><tr><td rowspan="1" colspan="1">Mn1</td><td rowspan="1" colspan="1">0.0108 (6)</td><td rowspan="1" colspan="1">0.0084 (5)</td><td rowspan="1" colspan="1">0.0080 (5)</td><td rowspan="1" colspan="1">0.0006 (4)</td><td rowspan="1" colspan="1">0.0018 (4)</td><td rowspan="1" colspan="1">0.0002 (4)</td></tr><tr><td rowspan="1" colspan="1">Mn2</td><td rowspan="1" colspan="1">0.0096 (4)</td><td rowspan="1" colspan="1">0.0107 (4)</td><td rowspan="1" colspan="1">0.0082 (4)</td><td rowspan="1" colspan="1">0.0003 (3)</td><td rowspan="1" colspan="1">−0.0008 (3)</td><td rowspan="1" colspan="1">−0.0006 (3)</td></tr><tr><td rowspan="1" colspan="1">P1</td><td rowspan="1" colspan="1">0.0080 (6)</td><td rowspan="1" colspan="1">0.0090 (6)</td><td rowspan="1" colspan="1">0.0055 (6)</td><td rowspan="1" colspan="1">−0.0004 (5)</td><td rowspan="1" colspan="1">0.0003 (5)</td><td rowspan="1" colspan="1">0.0003 (4)</td></tr><tr><td rowspan="1" colspan="1">P2</td><td rowspan="1" colspan="1">0.0080 (6)</td><td rowspan="1" colspan="1">0.0111 (6)</td><td rowspan="1" colspan="1">0.0067 (6)</td><td rowspan="1" colspan="1">−0.0007 (5)</td><td rowspan="1" colspan="1">0.0009 (5)</td><td rowspan="1" colspan="1">−0.0005 (4)</td></tr><tr><td rowspan="1" colspan="1">O1</td><td rowspan="1" colspan="1">0.0154 (19)</td><td rowspan="1" colspan="1">0.0110 (17)</td><td rowspan="1" colspan="1">0.0120 (17)</td><td rowspan="1" colspan="1">−0.0005 (14)</td><td rowspan="1" colspan="1">0.0068 (14)</td><td rowspan="1" colspan="1">0.0016 (13)</td></tr><tr><td rowspan="1" colspan="1">O2</td><td rowspan="1" colspan="1">0.0154 (19)</td><td rowspan="1" colspan="1">0.0111 (17)</td><td rowspan="1" colspan="1">0.0076 (16)</td><td rowspan="1" colspan="1">0.0002 (14)</td><td rowspan="1" colspan="1">−0.0045 (14)</td><td rowspan="1" colspan="1">−0.0020 (13)</td></tr><tr><td rowspan="1" colspan="1">O3</td><td rowspan="1" colspan="1">0.0154 (19)</td><td rowspan="1" colspan="1">0.0099 (17)</td><td rowspan="1" colspan="1">0.0120 (17)</td><td rowspan="1" colspan="1">0.0005 (14)</td><td rowspan="1" colspan="1">0.0008 (14)</td><td rowspan="1" colspan="1">0.0026 (14)</td></tr><tr><td rowspan="1" colspan="1">O4</td><td rowspan="1" colspan="1">0.0083 (18)</td><td rowspan="1" colspan="1">0.0234 (19)</td><td rowspan="1" colspan="1">0.0078 (16)</td><td rowspan="1" colspan="1">0.0002 (14)</td><td rowspan="1" colspan="1">0.0004 (13)</td><td rowspan="1" colspan="1">−0.0002 (14)</td></tr><tr><td rowspan="1" colspan="1">O5</td><td rowspan="1" colspan="1">0.015 (2)</td><td rowspan="1" colspan="1">0.038 (2)</td><td rowspan="1" colspan="1">0.0076 (18)</td><td rowspan="1" colspan="1">0.0013 (17)</td><td rowspan="1" colspan="1">−0.0021 (14)</td><td rowspan="1" colspan="1">0.0035 (16)</td></tr><tr><td rowspan="1" colspan="1">O6</td><td rowspan="1" colspan="1">0.0113 (18)</td><td rowspan="1" colspan="1">0.0200 (19)</td><td rowspan="1" colspan="1">0.0153 (17)</td><td rowspan="1" colspan="1">0.0061 (15)</td><td rowspan="1" colspan="1">0.0048 (14)</td><td rowspan="1" colspan="1">0.0015 (15)</td></tr><tr><td rowspan="1" colspan="1">O7</td><td rowspan="1" colspan="1">0.030 (2)</td><td rowspan="1" colspan="1">0.0118 (18)</td><td rowspan="1" colspan="1">0.026 (2)</td><td rowspan="1" colspan="1">−0.0036 (16)</td><td rowspan="1" colspan="1">0.0151 (18)</td><td rowspan="1" colspan="1">−0.0013 (16)</td></tr><tr><td rowspan="1" colspan="1">O8</td><td rowspan="1" colspan="1">0.0087 (17)</td><td rowspan="1" colspan="1">0.0261 (19)</td><td rowspan="1" colspan="1">0.0079 (16)</td><td rowspan="1" colspan="1">−0.0034 (15)</td><td rowspan="1" colspan="1">−0.0012 (14)</td><td rowspan="1" colspan="1">0.0016 (15)</td></tr></table></table-wrap></sec><sec id="tablewrapgeomlong"><title>Geometric parameters (Å, º)</title><table-wrap position="anchor" id="d1e1488"><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">Pb1—O3<sup>i</sup></td><td rowspan="1" colspan="1">2.504 (4)</td><td rowspan="1" colspan="1">P1—O3</td><td rowspan="1" colspan="1">1.536 (3)</td></tr><tr><td rowspan="1" colspan="1">Pb1—O8</td><td rowspan="1" colspan="1">2.539 (4)</td><td rowspan="1" colspan="1">P1—O4</td><td rowspan="1" colspan="1">1.559 (4)</td></tr><tr><td rowspan="1" colspan="1">Pb1—O6<sup>ii</sup></td><td rowspan="1" colspan="1">2.614 (4)</td><td rowspan="1" colspan="1">P2—O5</td><td rowspan="1" colspan="1">1.514 (4)</td></tr><tr><td rowspan="1" colspan="1">Pb1—O4<sup>i</sup></td><td rowspan="1" colspan="1">2.697 (4)</td><td rowspan="1" colspan="1">P2—O7</td><td rowspan="1" colspan="1">1.526 (4)</td></tr><tr><td rowspan="1" colspan="1">Pb1—O7<sup>iii</sup></td><td rowspan="1" colspan="1">2.698 (4)</td><td rowspan="1" colspan="1">P2—O6</td><td rowspan="1" colspan="1">1.532 (4)</td></tr><tr><td rowspan="1" colspan="1">Pb1—O5</td><td rowspan="1" colspan="1">2.767 (4)</td><td rowspan="1" colspan="1">P2—O8</td><td rowspan="1" colspan="1">1.565 (4)</td></tr><tr><td rowspan="1" colspan="1">Pb1—O4<sup>ii</sup></td><td rowspan="1" colspan="1">2.785 (4)</td><td rowspan="1" colspan="1">O1—Mn2<sup>vi</sup></td><td rowspan="1" colspan="1">2.141 (4)</td></tr><tr><td rowspan="1" colspan="1">Mn1—O3<sup>iv</sup></td><td rowspan="1" colspan="1">2.157 (3)</td><td rowspan="1" colspan="1">O2—Mn2<sup>viii</sup></td><td rowspan="1" colspan="1">2.122 (4)</td></tr><tr><td rowspan="1" colspan="1">Mn1—O3<sup>i</sup></td><td rowspan="1" colspan="1">2.157 (3)</td><td rowspan="1" colspan="1">O2—Mn2<sup>ix</sup></td><td rowspan="1" colspan="1">2.208 (3)</td></tr><tr><td rowspan="1" colspan="1">Mn1—O6<sup>ii</sup></td><td rowspan="1" colspan="1">2.168 (3)</td><td rowspan="1" colspan="1">O3—Mn1<sup>ix</sup></td><td rowspan="1" colspan="1">2.157 (3)</td></tr><tr><td rowspan="1" colspan="1">Mn1—O6<sup>v</sup></td><td rowspan="1" colspan="1">2.168 (3)</td><td rowspan="1" colspan="1">O3—Pb1<sup>x</sup></td><td rowspan="1" colspan="1">2.504 (4)</td></tr><tr><td rowspan="1" colspan="1">Mn1—O1</td><td rowspan="1" colspan="1">2.195 (3)</td><td rowspan="1" colspan="1">O4—Pb1<sup>x</sup></td><td rowspan="1" colspan="1">2.697 (4)</td></tr><tr><td rowspan="1" colspan="1">Mn1—O1<sup>vi</sup></td><td rowspan="1" colspan="1">2.195 (3)</td><td rowspan="1" colspan="1">O4—Pb1<sup>ii</sup></td><td rowspan="1" colspan="1">2.785 (4)</td></tr><tr><td rowspan="1" colspan="1">Mn2—O5<sup>iii</sup></td><td rowspan="1" colspan="1">2.094 (4)</td><td rowspan="1" colspan="1">O5—Mn2<sup>xi</sup></td><td rowspan="1" colspan="1">2.094 (4)</td></tr><tr><td rowspan="1" colspan="1">Mn2—O2<sup>vii</sup></td><td rowspan="1" colspan="1">2.122 (4)</td><td rowspan="1" colspan="1">O6—Mn1<sup>xii</sup></td><td rowspan="1" colspan="1">2.168 (3)</td></tr><tr><td rowspan="1" colspan="1">Mn2—O1<sup>vi</sup></td><td rowspan="1" colspan="1">2.141 (4)</td><td rowspan="1" colspan="1">O6—Mn2<sup>ii</sup></td><td rowspan="1" colspan="1">2.610 (4)</td></tr><tr><td rowspan="1" colspan="1">Mn2—O2<sup>iv</sup></td><td rowspan="1" colspan="1">2.208 (3)</td><td rowspan="1" colspan="1">O6—Pb1<sup>ii</sup></td><td rowspan="1" colspan="1">2.614 (4)</td></tr><tr><td rowspan="1" colspan="1">Mn2—O7<sup>ii</sup></td><td rowspan="1" colspan="1">2.235 (4)</td><td rowspan="1" colspan="1">O7—Mn2<sup>ii</sup></td><td rowspan="1" colspan="1">2.235 (4)</td></tr><tr><td rowspan="1" colspan="1">Mn2—O6<sup>ii</sup></td><td rowspan="1" colspan="1">2.610 (4)</td><td rowspan="1" colspan="1">O7—Pb1<sup>xi</sup></td><td rowspan="1" colspan="1">2.698 (4)</td></tr><tr><td rowspan="1" colspan="1">P1—O2</td><td rowspan="1" colspan="1">1.530 (3)</td><td rowspan="1" colspan="1">O8—H8</td><td rowspan="1" colspan="1">0.8600</td></tr><tr><td rowspan="1" colspan="1">P1—O1</td><td rowspan="1" colspan="1">1.531 (3)</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>—Pb1—O8</td><td rowspan="1" colspan="1">82.97 (11)</td><td rowspan="1" colspan="1">O3<sup>i</sup>—Mn1—O1<sup>vi</sup></td><td rowspan="1" colspan="1">89.35 (13)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Pb1—O6<sup>ii</sup></td><td rowspan="1" colspan="1">69.84 (11)</td><td rowspan="1" colspan="1">O6<sup>ii</sup>—Mn1—O1<sup>vi</sup></td><td rowspan="1" colspan="1">81.84 (13)</td></tr><tr><td rowspan="1" colspan="1">O8—Pb1—O6<sup>ii</sup></td><td rowspan="1" colspan="1">70.75 (11)</td><td rowspan="1" colspan="1">O6<sup>v</sup>—Mn1—O1<sup>vi</sup></td><td rowspan="1" colspan="1">98.16 (13)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Pb1—O4<sup>i</sup></td><td rowspan="1" colspan="1">56.56 (11)</td><td rowspan="1" colspan="1">O1—Mn1—O1<sup>vi</sup></td><td rowspan="1" colspan="1">180.000 (1)</td></tr><tr><td rowspan="1" colspan="1">O8—Pb1—O4<sup>i</sup></td><td rowspan="1" colspan="1">71.32 (11)</td><td rowspan="1" colspan="1">O5<sup>iii</sup>—Mn2—O2<sup>vii</sup></td><td rowspan="1" colspan="1">100.04 (15)</td></tr><tr><td rowspan="1" colspan="1">O6<sup>ii</sup>—Pb1—O4<sup>i</sup></td><td rowspan="1" colspan="1">116.47 (11)</td><td rowspan="1" colspan="1">O5<sup>iii</sup>—Mn2—O1<sup>vi</sup></td><td rowspan="1" colspan="1">92.62 (15)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Pb1—O7<sup>iii</sup></td><td rowspan="1" colspan="1">91.78 (12)</td><td rowspan="1" colspan="1">O2<sup>vii</sup>—Mn2—O1<sup>vi</sup></td><td rowspan="1" colspan="1">129.62 (14)</td></tr><tr><td rowspan="1" colspan="1">O8—Pb1—O7<sup>iii</sup></td><td rowspan="1" colspan="1">173.95 (12)</td><td rowspan="1" colspan="1">O5<sup>iii</sup>—Mn2—O2<sup>iv</sup></td><td rowspan="1" colspan="1">176.09 (15)</td></tr><tr><td rowspan="1" colspan="1">O6<sup>ii</sup>—Pb1—O7<sup>iii</sup></td><td rowspan="1" colspan="1">104.65 (12)</td><td rowspan="1" colspan="1">O2<sup>vii</sup>—Mn2—O2<sup>iv</sup></td><td rowspan="1" colspan="1">79.73 (13)</td></tr><tr><td rowspan="1" colspan="1">O4<sup>i</sup>—Pb1—O7<sup>iii</sup></td><td rowspan="1" colspan="1">108.25 (11)</td><td rowspan="1" colspan="1">O1<sup>vi</sup>—Mn2—O2<sup>iv</sup></td><td rowspan="1" colspan="1">90.49 (14)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Pb1—O5</td><td rowspan="1" colspan="1">123.87 (12)</td><td rowspan="1" colspan="1">O5<sup>iii</sup>—Mn2—O7<sup>ii</sup></td><td rowspan="1" colspan="1">87.34 (15)</td></tr><tr><td rowspan="1" colspan="1">O8—Pb1—O5</td><td rowspan="1" colspan="1">53.50 (11)</td><td rowspan="1" colspan="1">O2<sup>vii</sup>—Mn2—O7<sup>ii</sup></td><td rowspan="1" colspan="1">96.38 (14)</td></tr><tr><td rowspan="1" colspan="1">O6<sup>ii</sup>—Pb1—O5</td><td rowspan="1" colspan="1">116.03 (11)</td><td rowspan="1" colspan="1">O1<sup>vi</sup>—Mn2—O7<sup>ii</sup></td><td rowspan="1" colspan="1">133.01 (14)</td></tr><tr><td rowspan="1" colspan="1">O4<sup>i</sup>—Pb1—O5</td><td rowspan="1" colspan="1">75.23 (12)</td><td rowspan="1" colspan="1">O2<sup>iv</sup>—Mn2—O7<sup>ii</sup></td><td rowspan="1" colspan="1">88.81 (14)</td></tr><tr><td rowspan="1" colspan="1">O7<sup>iii</sup>—Pb1—O5</td><td rowspan="1" colspan="1">132.49 (12)</td><td rowspan="1" colspan="1">O5<sup>iii</sup>—Mn2—O6<sup>ii</sup></td><td rowspan="1" colspan="1">79.12 (14)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Pb1—O4<sup>ii</sup></td><td rowspan="1" colspan="1">151.26 (10)</td><td rowspan="1" colspan="1">O2<sup>vii</sup>—Mn2—O6<sup>ii</sup></td><td rowspan="1" colspan="1">157.01 (13)</td></tr><tr><td rowspan="1" colspan="1">O8—Pb1—O4<sup>ii</sup></td><td rowspan="1" colspan="1">89.67 (11)</td><td rowspan="1" colspan="1">O1<sup>vi</sup>—Mn2—O6<sup>ii</sup></td><td rowspan="1" colspan="1">73.21 (12)</td></tr><tr><td rowspan="1" colspan="1">O6<sup>ii</sup>—Pb1—O4<sup>ii</sup></td><td rowspan="1" colspan="1">81.50 (10)</td><td rowspan="1" colspan="1">O2<sup>iv</sup>—Mn2—O6<sup>ii</sup></td><td rowspan="1" colspan="1">99.54 (12)</td></tr><tr><td rowspan="1" colspan="1">O4<sup>i</sup>—Pb1—O4<sup>ii</sup></td><td rowspan="1" colspan="1">145.63 (8)</td><td rowspan="1" colspan="1">O7<sup>ii</sup>—Mn2—O6<sup>ii</sup></td><td rowspan="1" colspan="1">60.65 (12)</td></tr><tr><td rowspan="1" colspan="1">O7<sup>iii</sup>—Pb1—O4<sup>ii</sup></td><td rowspan="1" colspan="1">93.55 (11)</td><td rowspan="1" colspan="1">O2—P1—O1</td><td rowspan="1" colspan="1">112.1 (2)</td></tr><tr><td rowspan="1" colspan="1">O5—Pb1—O4<sup>ii</sup></td><td rowspan="1" colspan="1">70.46 (12)</td><td rowspan="1" colspan="1">O2—P1—O3</td><td rowspan="1" colspan="1">111.0 (2)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>iv</sup>—Mn1—O3<sup>i</sup></td><td rowspan="1" colspan="1">180.000 (1)</td><td rowspan="1" colspan="1">O1—P1—O3</td><td rowspan="1" colspan="1">108.4 (2)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>iv</sup>—Mn1—O6<sup>ii</sup></td><td rowspan="1" colspan="1">94.68 (14)</td><td rowspan="1" colspan="1">O2—P1—O4</td><td rowspan="1" colspan="1">109.9 (2)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Mn1—O6<sup>ii</sup></td><td rowspan="1" colspan="1">85.32 (14)</td><td rowspan="1" colspan="1">O1—P1—O4</td><td rowspan="1" colspan="1">109.4 (2)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>iv</sup>—Mn1—O6<sup>v</sup></td><td rowspan="1" colspan="1">85.32 (14)</td><td rowspan="1" colspan="1">O3—P1—O4</td><td rowspan="1" colspan="1">105.9 (2)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Mn1—O6<sup>v</sup></td><td rowspan="1" colspan="1">94.68 (14)</td><td rowspan="1" colspan="1">O5—P2—O7</td><td rowspan="1" colspan="1">113.5 (2)</td></tr><tr><td rowspan="1" colspan="1">O6<sup>ii</sup>—Mn1—O6<sup>v</sup></td><td rowspan="1" colspan="1">180.00 (19)</td><td rowspan="1" colspan="1">O5—P2—O6</td><td rowspan="1" colspan="1">113.7 (2)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>iv</sup>—Mn1—O1</td><td rowspan="1" colspan="1">89.35 (13)</td><td rowspan="1" colspan="1">O7—P2—O6</td><td rowspan="1" colspan="1">107.6 (2)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Mn1—O1</td><td rowspan="1" colspan="1">90.65 (13)</td><td rowspan="1" colspan="1">O5—P2—O8</td><td rowspan="1" colspan="1">102.2 (2)</td></tr><tr><td rowspan="1" colspan="1">O6<sup>ii</sup>—Mn1—O1</td><td rowspan="1" colspan="1">98.16 (13)</td><td rowspan="1" colspan="1">O7—P2—O8</td><td rowspan="1" colspan="1">109.8 (2)</td></tr><tr><td rowspan="1" colspan="1">O6<sup>v</sup>—Mn1—O1</td><td rowspan="1" colspan="1">81.84 (13)</td><td rowspan="1" colspan="1">O6—P2—O8</td><td rowspan="1" colspan="1">109.9 (2)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>iv</sup>—Mn1—O1<sup>vi</sup></td><td rowspan="1" colspan="1">90.65 (13)</td><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td></tr></table></table-wrap><p>Symmetry codes: (i) <italic>x</italic>, −<italic>y</italic>+3/2, <italic>z</italic>+1/2; (ii) −<italic>x</italic>+1, −<italic>y</italic>+1, −<italic>z</italic>+1; (iii) −<italic>x</italic>+1, <italic>y</italic>−1/2, −<italic>z</italic>+3/2; (iv) −<italic>x</italic>, <italic>y</italic>−1/2, −<italic>z</italic>+1/2; (v) <italic>x</italic>−1, <italic>y</italic>, <italic>z</italic>; (vi) −<italic>x</italic>, −<italic>y</italic>+1, −<italic>z</italic>+1; (vii) <italic>x</italic>, −<italic>y</italic>+1/2, <italic>z</italic>+1/2; (viii) <italic>x</italic>, −<italic>y</italic>+1/2, <italic>z</italic>−1/2; (ix) −<italic>x</italic>, <italic>y</italic>+1/2, −<italic>z</italic>+1/2; (x) <italic>x</italic>, −<italic>y</italic>+3/2, <italic>z</italic>−1/2; (xi) −<italic>x</italic>+1, <italic>y</italic>+1/2, −<italic>z</italic>+3/2; (xii) <italic>x</italic>+1, <italic>y</italic>, <italic>z</italic>.</p></sec><sec id="tablewraphbondslong"><title>Hydrogen-bond geometry (Å, º)</title><table-wrap position="anchor" id="d1e2424"><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">0.86</td><td rowspan="1" colspan="1">1.60</td><td rowspan="1" colspan="1">2.437 (5)</td><td rowspan="1" colspan="1">164</td></tr><tr><td rowspan="1" colspan="1">O8—H8···O1</td><td rowspan="1" colspan="1">0.86</td><td rowspan="1" colspan="1">2.76</td><td rowspan="1" colspan="1">3.393 (5)</td><td rowspan="1" colspan="1">132</td></tr></table></table-wrap></sec></app></app-group><ref-list><title>References</title><ref id="bb1"><mixed-citation publication-type="other">Assani, A., El Ammari, L., Zriouil, M. & Saadi, M. (2011<italic>b</italic>). <italic>Acta Cryst.</italic> E<bold>67</bold>, i40.</mixed-citation></ref><ref id="bb2"><mixed-citation publication-type="other">Assani, A., El Ammari, L., Zriouil, M. & Saadi, M. (2011<italic>c</italic>). <italic>Acta Cryst.</italic> E<bold>67</bold>, i41.</mixed-citation></ref><ref id="bb3"><mixed-citation publication-type="other">Assani, A., Saadi, M., Zriouil, M. & El Ammari, L. (2010). <italic>Acta Cryst.</italic> E<bold>66</bold>, i86–i87.</mixed-citation></ref><ref id="bb4"><mixed-citation publication-type="other">Assani, A., Saadi, M., Zriouil, M. & El Ammari, L. (2011<italic>a</italic>). <italic>Acta Cryst.</italic> E<bold>67</bold>, i5.</mixed-citation></ref><ref id="bb5"><mixed-citation publication-type="other">Assani, A., Saadi, M., Zriouil, M. & El Ammari, L. (2012). <italic>Acta Cryst.</italic> E<bold>68</bold>, i30.</mixed-citation></ref><ref id="bb6"><mixed-citation publication-type="other">Brandenburg, K. (2006). <italic>DIAMOND</italic> Crystal Impact GbR, Bonn, Germany.</mixed-citation></ref><ref id="bb7"><mixed-citation publication-type="other">Brown, I. D. & Altermatt, D. (1985). <italic>Acta Cryst.</italic> B<bold>41</bold>, 244–247.</mixed-citation></ref><ref id="bb8"><mixed-citation publication-type="other">Bruker (2005). <italic>APEX2</italic> and <italic>SAINT</italic> Bruker AXS Inc., Madison, Wisconsin, USA.</mixed-citation></ref><ref id="bb9"><mixed-citation publication-type="other">Clearfield, A. (1988). <italic>Chem. Rev.</italic><bold>88</bold>, 125–148.</mixed-citation></ref><ref id="bb10"><mixed-citation publication-type="other">Effenberger, H. (1999). <italic>J. Solid State Chem.</italic><bold>142</bold>, 6–13.</mixed-citation></ref><ref id="bb11"><mixed-citation publication-type="other">Farrugia, L. J. (1997). <italic>J. Appl. Cryst.</italic><bold>30</bold>, 565.</mixed-citation></ref><ref id="bb12"><mixed-citation publication-type="other">Gao, D. & Gao, Q. (2005). <italic>Micropor. Mesopor. Mater.</italic><bold>85</bold>, 365–373.</mixed-citation></ref><ref id="bb13"><mixed-citation publication-type="other">Sheldrick, G. M. (2003). <italic>SADABS</italic> University of Göttingen, Germany.</mixed-citation></ref><ref id="bb14"><mixed-citation publication-type="other">Sheldrick, G. M. (2008). <italic>Acta Cryst.</italic> A<bold>64</bold>, 112–122.</mixed-citation></ref><ref id="bb15"><mixed-citation publication-type="other">Spek, A. L. (2009). <italic>Acta Cryst.</italic> D<bold>65</bold>, 148–155.</mixed-citation></ref><ref id="bb16"><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="bb17"><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="bb18"><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">0.86</td><td style="" rowspan="1" colspan="1" align="left" valign="top">1.60</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.437 (5)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">164</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O8—H8⋯O1</td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.86</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.76</td><td style="" rowspan="1" colspan="1" align="left" valign="top">3.393 (5)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">132</td></tr></tbody></table></table-wrap></floats-group></pmc></record>Pour manipuler ce document sous Unix (Dilib)
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