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Crystal structure of strontium dicobalt iron(III) tris­(orthophosphate): SrCo2Fe(PO4)3

Identifieur interne : 000036 ( Pmc/Checkpoint ); précédent : 000035; suivant : 000037

Crystal structure of strontium dicobalt iron(III) tris­(orthophosphate): SrCo2Fe(PO4)3

Auteurs : Adam Bouraima [Maroc, Gabon] ; Thomas Makani [Gabon] ; Abderrazzak Assani [Maroc] ; Mohamed Saadi [Maroc] ; Lahcen El Ammari [Maroc]

Source :

RBID : PMC:4971858

Abstract

The transition metal orthophosphate, SrCo2Fe(PO4)3, crystallizes in an alluaudite-type structure. The chains characterizing the alluaudite structure are built up from edge-sharing [CoO6] octa­hedra linked together by PO4 tetra­hedra.


Url:
DOI: 10.1107/S2056989016011373
PubMed: 27536399
PubMed Central: 4971858


Affiliations:


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<title xml:lang="en">Crystal structure of strontium dicobalt iron(III) tris­(orthophosphate): SrCo
<sub>2</sub>
Fe(PO
<sub>4</sub>
)
<sub>3</sub>
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<title xml:lang="en" level="a" type="main">Crystal structure of strontium dicobalt iron(III) tris­(orthophosphate): SrCo
<sub>2</sub>
Fe(PO
<sub>4</sub>
)
<sub>3</sub>
</title>
<author>
<name sortKey="Bouraima, Adam" sort="Bouraima, Adam" uniqKey="Bouraima A" first="Adam" last="Bouraima">Adam Bouraima</name>
<affiliation wicri:level="1">
<nlm:aff id="a">Laboratoire de Chimie du Solide Appliquée, Faculty of Sciences, Mohammed V University in Rabat, Avenue Ibn Battouta, BP 1014, Rabat,
<country>Morocco</country>
</nlm:aff>
<country xml:lang="fr">Maroc</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
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<affiliation wicri:level="1">
<nlm:aff id="b">Département de Chimie, Faculté des Sciences, Université des Sciences et Techniques de Masuku, BP 943, Franceville,
<country>Gabon</country>
</nlm:aff>
<country xml:lang="fr">Gabon</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
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<name sortKey="Makani, Thomas" sort="Makani, Thomas" uniqKey="Makani T" first="Thomas" last="Makani">Thomas Makani</name>
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<country>Gabon</country>
</nlm:aff>
<country xml:lang="fr">Gabon</country>
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<nlm:aff id="a">Laboratoire de Chimie du Solide Appliquée, Faculty of Sciences, Mohammed V University in Rabat, Avenue Ibn Battouta, BP 1014, Rabat,
<country>Morocco</country>
</nlm:aff>
<country xml:lang="fr">Maroc</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
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<name sortKey="Saadi, Mohamed" sort="Saadi, Mohamed" uniqKey="Saadi M" first="Mohamed" last="Saadi">Mohamed Saadi</name>
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<nlm:aff id="a">Laboratoire de Chimie du Solide Appliquée, Faculty of Sciences, Mohammed V University in Rabat, Avenue Ibn Battouta, BP 1014, Rabat,
<country>Morocco</country>
</nlm:aff>
<country xml:lang="fr">Maroc</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
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<name sortKey="El Ammari, Lahcen" sort="El Ammari, Lahcen" uniqKey="El Ammari L" first="Lahcen" last="El Ammari">Lahcen El Ammari</name>
<affiliation wicri:level="1">
<nlm:aff id="a">Laboratoire de Chimie du Solide Appliquée, Faculty of Sciences, Mohammed V University in Rabat, Avenue Ibn Battouta, BP 1014, Rabat,
<country>Morocco</country>
</nlm:aff>
<country xml:lang="fr">Maroc</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
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<series>
<title level="j">Acta Crystallographica Section E: Crystallographic Communications</title>
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<div type="abstract" xml:lang="en">
<p>The transition metal orthophosphate, SrCo
<sub>2</sub>
Fe(PO
<sub>4</sub>
)
<sub>3</sub>
, crystallizes in an alluaudite-type structure. The chains characterizing the alluaudite structure are built up from edge-sharing [CoO
<sub>6</sub>
] octa­hedra linked together by PO
<sub>4</sub>
tetra­hedra.</p>
</div>
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<pmc-dir>properties open_access</pmc-dir>
<front>
<journal-meta>
<journal-id journal-id-type="nlm-ta">Acta Crystallogr E Crystallogr Commun</journal-id>
<journal-id journal-id-type="iso-abbrev">Acta Crystallogr E Crystallogr Commun</journal-id>
<journal-id journal-id-type="publisher-id">Acta Cryst. E</journal-id>
<journal-title-group>
<journal-title>Acta Crystallographica Section E: Crystallographic Communications</journal-title>
</journal-title-group>
<issn pub-type="epub">2056-9890</issn>
<publisher>
<publisher-name>International Union of Crystallography</publisher-name>
</publisher>
</journal-meta>
<article-meta>
<article-id pub-id-type="pmid">27536399</article-id>
<article-id pub-id-type="pmc">4971858</article-id>
<article-id pub-id-type="publisher-id">pk2584</article-id>
<article-id pub-id-type="doi">10.1107/S2056989016011373</article-id>
<article-id pub-id-type="coden">ACSECI</article-id>
<article-id pub-id-type="pii">S2056989016011373</article-id>
<article-categories>
<subj-group subj-group-type="heading">
<subject>Research Communications</subject>
</subj-group>
</article-categories>
<title-group>
<article-title>Crystal structure of strontium dicobalt iron(III) tris­(orthophosphate): SrCo
<sub>2</sub>
Fe(PO
<sub>4</sub>
)
<sub>3</sub>
</article-title>
<alt-title>
<italic>SrCo
<sub>2</sub>
Fe(PO
<sub>4</sub>
)
<sub>3</sub>
</italic>
</alt-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname>Bouraima</surname>
<given-names>Adam</given-names>
</name>
<xref ref-type="aff" rid="a">a</xref>
<xref ref-type="aff" rid="b">b</xref>
<xref ref-type="corresp" rid="cor">*</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Makani</surname>
<given-names>Thomas</given-names>
</name>
<xref ref-type="aff" rid="b">b</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, Faculty of Sciences, Mohammed V University in Rabat, Avenue Ibn Battouta, BP 1014, Rabat,
<country>Morocco</country>
</aff>
<aff id="b">
<label>b</label>
Département de Chimie, Faculté des Sciences, Université des Sciences et Techniques de Masuku, BP 943, Franceville,
<country>Gabon</country>
</aff>
</contrib-group>
<author-notes>
<corresp id="cor">Correspondence e-mail:
<email>adam_bouraima@yahoo.fr</email>
</corresp>
</author-notes>
<pub-date pub-type="collection">
<day>01</day>
<month>8</month>
<year>2016</year>
</pub-date>
<pub-date pub-type="epub">
<day>19</day>
<month>7</month>
<year>2016</year>
</pub-date>
<pub-date pub-type="pmc-release">
<day>19</day>
<month>7</month>
<year>2016</year>
</pub-date>
<pmc-comment> PMC Release delay is 0 months and 0 days and was based on the . </pmc-comment>
<volume>72</volume>
<issue>Pt 8</issue>
<issue-id pub-id-type="publisher-id">e160800</issue-id>
<fpage>1143</fpage>
<lpage>1146</lpage>
<history>
<date date-type="received">
<day>24</day>
<month>6</month>
<year>2016</year>
</date>
<date date-type="accepted">
<day>12</day>
<month>7</month>
<year>2016</year>
</date>
</history>
<permissions>
<copyright-statement>© Bouraima et al. 2016</copyright-statement>
<copyright-year>2016</copyright-year>
<license license-type="open-access" xlink:href="http://creativecommons.org/licenses/by/2.0/uk/">
<license-p>This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.</license-p>
</license>
</permissions>
<self-uri xlink:type="simple" xlink:href="http://dx.doi.org/10.1107/S2056989016011373">A full version of this article is available from Crystallography Journals Online.</self-uri>
<abstract abstract-type="toc">
<p>The transition metal orthophosphate, SrCo
<sub>2</sub>
Fe(PO
<sub>4</sub>
)
<sub>3</sub>
, crystallizes in an alluaudite-type structure. The chains characterizing the alluaudite structure are built up from edge-sharing [CoO
<sub>6</sub>
] octa­hedra linked together by PO
<sub>4</sub>
tetra­hedra.</p>
</abstract>
<abstract>
<p>The title compound, SrCo
<sub>2</sub>
Fe(PO
<sub>4</sub>
)
<sub>3</sub>
, has been synthesized by a solid-state reaction. It crystallizes with the α-CrPO
<sub>4</sub>
type structure. In this structure, all atoms are on special positions of the
<italic>Imma</italic>
space group, except for two O atoms which are located on general positions. The three-dimensional network in the crystal structure is made up of two types of layers stacked normal to (100). The first layer is built from two edge-sharing CoO
<sub>6</sub>
octa­hedra, leading to the formation of Co
<sub>2</sub>
O
<sub>10</sub>
dimers that are connected to two PO
<sub>4</sub>
tetra­hedra by a common edge and corners. The second layer results from apex-sharing FeO
<sub>6</sub>
octa­hedra and PO
<sub>4</sub>
tetra­hedra, which form linear chains alternating with a zigzag chain of Sr
<sup>II</sup>
cations. These layers are linked together by common vertices of PO
<sub>4</sub>
tetra­hedra and FeO
<sub>6</sub>
octa­hedra to form an open three-dimensional framework that delimits two types of channels parallel to [100] and [010] where the Sr
<sup>II</sup>
cations are located. Each Sr
<sup>II</sup>
cation is surrounded by eight O atoms.</p>
</abstract>
<kwd-group>
<kwd>crystal structure</kwd>
<kwd>SrCo
<sub>2</sub>
Fe(PO
<sub>4</sub>
)
<sub>3</sub>
</kwd>
<kwd>transition metal phosphate</kwd>
<kwd>solid-state reaction synthesis</kwd>
<kwd>alluaudite-like structure</kwd>
</kwd-group>
</article-meta>
</front>
<floats-group>
<fig id="fig1" position="float">
<label>Figure 1</label>
<caption>
<p>The principal building units in the structure of the title compound. Displacement ellipsoids are drawn at the 50% probability level. [Symmetry codes: (i) −
<italic>x</italic>
 + 2, −
<italic>y</italic>
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<italic>x</italic>
,
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,
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<italic>x</italic>
 + 2, −
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,
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</inline-formula>
,
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 + 
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</inline-formula>
,
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 + 
<inline-formula>
<inline-graphic xlink:href="e-72-01143-efi4.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (ix) −
<italic>x</italic>
 + 
<inline-formula>
<inline-graphic xlink:href="e-72-01143-efi1.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
,
<italic>y</italic>
, −
<italic>z</italic>
 + 
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</inline-formula>
; (
<italic>x</italic>
)
<italic>x</italic>
, −
<italic>y</italic>
 + 1, −
<italic>z</italic>
; (xi) −
<italic>x</italic>
 + 1,
<italic>y</italic>
,
<italic>z</italic>
; (xii)
<italic>x</italic>
, −
<italic>y</italic>
 + 1, −
<italic>z</italic>
 + 1; (xiii) −
<italic>x</italic>
 + 1, −
<italic>y</italic>
 + 1, −
<italic>z</italic>
 + 1;(xiv)
<italic>x</italic>
 − 
<inline-formula>
<inline-graphic xlink:href="e-72-01143-efi4.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
,
<italic>y</italic>
, −
<italic>z</italic>
 + 
<inline-formula>
<inline-graphic xlink:href="e-72-01143-efi4.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
.]</p>
</caption>
<graphic xlink:href="e-72-01143-fig1"></graphic>
</fig>
<fig id="fig2" position="float">
<label>Figure 2</label>
<caption>
<p>Edge-sharing [CoO
<sub>6</sub>
] octa­hedra forming a layer parallel to (100).</p>
</caption>
<graphic xlink:href="e-72-01143-fig2"></graphic>
</fig>
<fig id="fig3" position="float">
<label>Figure 3</label>
<caption>
<p>A view along the
<italic>a</italic>
axis, showing a layer resulting from chains connected
<italic>via</italic>
vertices of PO
<sub>4</sub>
tetra­hedra and FeO
<sub>6</sub>
octa­hedra, alternating with a zigzag chain of Sr atoms.</p>
</caption>
<graphic xlink:href="e-72-01143-fig3"></graphic>
</fig>
<fig id="fig4" position="float">
<label>Figure 4</label>
<caption>
<p>Polyhedral representation of SrCo
<sub>2</sub>
Fe(PO
<sub>4</sub>
)
<sub>3</sub>
, showing channels running along [100].</p>
</caption>
<graphic xlink:href="e-72-01143-fig4"></graphic>
</fig>
<fig id="fig5" position="float">
<label>Figure 5</label>
<caption>
<p>Polyhedral representation of SrCo
<sub>2</sub>
Fe(PO
<sub>4</sub>
)
<sub>3</sub>
, showing channels running along [010].</p>
</caption>
<graphic xlink:href="e-72-01143-fig5"></graphic>
</fig>
<table-wrap id="table1" position="float">
<label>Table 1</label>
<caption>
<title>Experimental details</title>
</caption>
<table frame="hsides" rules="groups">
<tbody valign="top">
<tr>
<td rowspan="1" colspan="2" align="left" valign="top">Crystal data</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">Chemical formula</td>
<td rowspan="1" colspan="1" align="left" valign="top">SrCo
<sub>2</sub>
Fe(PO
<sub>4</sub>
)
<sub>3</sub>
</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">
<italic>M</italic>
<sub>r</sub>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">546.24</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">Crystal system, space group</td>
<td rowspan="1" colspan="1" align="left" valign="top">Orthorhombic,
<italic>I</italic>
<italic>m</italic>
<italic>m</italic>
<italic>a</italic>
</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">Temperature (K)</td>
<td rowspan="1" colspan="1" align="left" valign="top">296</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">
<italic>a</italic>
,
<italic>b</italic>
,
<italic>c</italic>
(Å)</td>
<td rowspan="1" colspan="1" align="left" valign="top">10.4097 (2), 13.2714 (3), 6.5481 (2)</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">
<italic>V</italic>
<sup>3</sup>
)</td>
<td rowspan="1" colspan="1" align="left" valign="top">904.63 (4)</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">
<italic>Z</italic>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">4</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">Radiation type</td>
<td rowspan="1" colspan="1" align="left" valign="top">Mo
<italic>K</italic>
α</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">μ (mm
<sup>−1</sup>
)</td>
<td rowspan="1" colspan="1" align="left" valign="top">11.64</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">Crystal size (mm)</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.30 × 0.27 × 0.21</td>
</tr>
<tr>
<td rowspan="1" colspan="2" align="left" valign="top"> </td>
</tr>
<tr>
<td rowspan="1" colspan="2" align="left" valign="top">Data collection</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">Diffractometer</td>
<td rowspan="1" colspan="1" align="left" valign="top">Bruker X8 APEX</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">Absorption correction</td>
<td rowspan="1" colspan="1" align="left" valign="top">Multi-scan (
<italic>SADABS</italic>
; Krause
<italic>et al.</italic>
, 2015
<xref ref-type="bibr" rid="bb12"></xref>
)</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">
<italic>T</italic>
<sub>min</sub>
,
<italic>T</italic>
<sub>max</sub>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.595, 0.747</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">No. of measured, independent and observed [
<italic>I</italic>
> 2σ(
<italic>I</italic>
)] reflections</td>
<td rowspan="1" colspan="1" align="left" valign="top">10008, 1297, 1243</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">
<italic>R</italic>
<sub>int</sub>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.030</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">(sin θ/λ)
<sub>max</sub>
<sup>−1</sup>
)</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.858</td>
</tr>
<tr>
<td rowspan="1" colspan="2" align="left" valign="top"> </td>
</tr>
<tr>
<td rowspan="1" colspan="2" align="left" valign="top">Refinement</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">
<italic>R</italic>
[
<italic>F</italic>
<sup>2</sup>
> 2σ(
<italic>F</italic>
<sup>2</sup>
)],
<italic>wR</italic>
(
<italic>F</italic>
<sup>2</sup>
),
<italic>S</italic>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.017, 0.046, 1.16</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">No. of reflections</td>
<td rowspan="1" colspan="1" align="left" valign="top">1297</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">No. of parameters</td>
<td rowspan="1" colspan="1" align="left" valign="top">54</td>
</tr>
<tr>
<td rowspan="1" colspan="1" align="left" valign="top">Δρ
<sub>max</sub>
, Δρ
<sub>min</sub>
(e Å
<sup>−3</sup>
)</td>
<td rowspan="1" colspan="1" align="left" valign="top">1.00, −0.74</td>
</tr>
</tbody>
</table>
<table-wrap-foot>
<p>Computer programs:
<italic>APEX2</italic>
and
<italic>SAINT</italic>
(Bruker, 2009
<xref ref-type="bibr" rid="bb7"></xref>
),
<italic>SHELXT2014</italic>
(Sheldrick, 2015
<italic>a</italic>
<xref ref-type="bibr" rid="bb15"></xref>
),
<italic>SHELXL2014</italic>
(Sheldrick, 2015
<italic>b</italic>
<xref ref-type="bibr" rid="bb16"></xref>
),
<italic>ORTEP-3 for Windows</italic>
(Farrugia, 2012
<xref ref-type="bibr" rid="bb8"></xref>
),
<italic>DIAMOND</italic>
(Brandenburg, 2006
<xref ref-type="bibr" rid="bb6"></xref>
) and
<italic>publCIF</italic>
(Westrip, 2010
<xref ref-type="bibr" rid="bb18"></xref>
).</p>
</table-wrap-foot>
</table-wrap>
</floats-group>
</pmc>
<affiliations>
<list>
<country>
<li>Gabon</li>
<li>Maroc</li>
</country>
</list>
<tree>
<country name="Maroc">
<noRegion>
<name sortKey="Bouraima, Adam" sort="Bouraima, Adam" uniqKey="Bouraima A" first="Adam" last="Bouraima">Adam Bouraima</name>
</noRegion>
<name sortKey="Assani, Abderrazzak" sort="Assani, Abderrazzak" uniqKey="Assani A" first="Abderrazzak" last="Assani">Abderrazzak Assani</name>
<name sortKey="El Ammari, Lahcen" sort="El Ammari, Lahcen" uniqKey="El Ammari L" first="Lahcen" last="El Ammari">Lahcen El Ammari</name>
<name sortKey="Saadi, Mohamed" sort="Saadi, Mohamed" uniqKey="Saadi M" first="Mohamed" last="Saadi">Mohamed Saadi</name>
</country>
<country name="Gabon">
<noRegion>
<name sortKey="Bouraima, Adam" sort="Bouraima, Adam" uniqKey="Bouraima A" first="Adam" last="Bouraima">Adam Bouraima</name>
</noRegion>
<name sortKey="Makani, Thomas" sort="Makani, Thomas" uniqKey="Makani T" first="Thomas" last="Makani">Thomas Makani</name>
</country>
</tree>
</affiliations>
</record>

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