CobaltMaghrebV1, France, Analysis, bibRecord, 000172

Structural and 31P NMR investigation of Bi(MM')2PO6 statistic solid solutions : Deconvolution of lattice constraints and cationic influences

Identifieur interne : 000172 ( France/Analysis ); précédent : 000171; suivant : 000173

Structural and 31P NMR investigation of Bi(MM')2PO6 statistic solid solutions : Deconvolution of lattice constraints and cationic influences

Auteurs : Marie Colmont [France] ; Laurent Delevoye [France] ; EL MOSTAFA KETATNI [Maroc] ; Lionel Montagne [France] ; Olivier Mentre [France]

Source :

Journal of solid state chemistry : (Print) [ 0022-4596 ] ; 2006.

RBID : Pascal:06-0397501

Descripteurs français

Pascal (Inist)
- Etude expérimentale, Résonance magnétique nucléaire, Paramètre cristallin, Déconvolution, Affinement, Diffraction RX, Diffraction neutron, Déplacement chimique, Solution solide, Bismuth phosphate, Magnésium phosphate, Zinc phosphate, Cobalt phosphate, Composé n éléments, BiZnMg2-xPO6, Bi Mg O P Zn, BiCdMg2-xPO6, Bi Cd Mg O P, 6166F, 7660C.

English descriptors

KwdEn :
- Bismuth phosphates, Chemical shift, Cobalt phosphates, Deconvolution, Experimental study, Lattice parameters, Magnesium phosphates, Multi-element compounds, Neutron diffraction, Nuclear magnetic resonance, Refinement, Solid solutions, XRD, Zinc phosphates.

Abstract

Two solid solutions BiM_xMg_2-x)PO₆ (with M²⁺ = Zn or Cd) have been studied through ³¹P MAS NMR. The analysis has been performed on the basis of refined crystal structures through X-ray diffraction and neutron diffraction. The BiZn_xMg_(2-x)PO₆ does not provide direct evidence for sensitive changes in the phosphorus local symmetry. This result is in good agreement with structural data which show nearly unchanged lattices and atomic separations through the Zn²⁺ for Mg²⁺ substitution. On the other hand, the Cd²⁺ for Mg²⁺ substitution behaves differently. Indeed, up to five resonances are observed, each corresponding to one of the five first-cationic neighbour distributions, i.e. 4Mg/0Cd, 3Mg/lCd, 2Mg/2Cd, 1Mg/3Cd and 0Mg/4Cd. Their intensities match rather well the expected weight for each configuration of the statistical Cd²⁺/Mg²⁺ mixed occupancy. The match is further improved when one takes into account the influence of the 2nd cationic sphere that is available from high-field NMR data (18.8T). Finally, the fine examination of the chemical shift for each resonance versus x allows to de-convolute the mean Z/a² effective field into two sub-effects: a lattice constraint-only term and a chemical-only term whose effects are directly quantifiable.

Affiliations:

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Le document en format XML

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P NMR investigation of Bi(MM')<sub>2</sub>
PO<sub>6</sub>
 statistic solid solutions : Deconvolution of lattice constraints and cationic influences</title>
<author><name sortKey="Colmont, Marie" sort="Colmont, Marie" uniqKey="Colmont M" first="Marie" last="Colmont">Marie Colmont</name>
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<sourceDesc><biblStruct><analytic><title xml:lang="en" level="a">Structural and <sup>31</sup>
P NMR investigation of Bi(MM')<sub>2</sub>
PO<sub>6</sub>
 statistic solid solutions : Deconvolution of lattice constraints and cationic influences</title>
<author><name sortKey="Colmont, Marie" sort="Colmont, Marie" uniqKey="Colmont M" first="Marie" last="Colmont">Marie Colmont</name>
<affiliation wicri:level="3"><inist:fA14 i1="01"><s1>Laboratoire de eristallochimie et physicochimie du solide de Lille- UMR CNRS N° 8012-ENSCL, BP 108</s1>
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<author><name sortKey="Delevoye, Laurent" sort="Delevoye, Laurent" uniqKey="Delevoye L" first="Laurent" last="Delevoye">Laurent Delevoye</name>
<affiliation wicri:level="3"><inist:fA14 i1="01"><s1>Laboratoire de eristallochimie et physicochimie du solide de Lille- UMR CNRS N° 8012-ENSCL, BP 108</s1>
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<author><name sortKey="El Mostafa Ketatni" sort="El Mostafa Ketatni" uniqKey="El Mostafa Ketatni" last="El Mostafa Ketatni">EL MOSTAFA KETATNI</name>
<affiliation wicri:level="1"><inist:fA14 i1="02"><s1>Laboratoire de Spectro-Chimie Appliqué et Environnement, Faculté des Sciences et Techniques. BP 523</s1>
<s2>Béni Mellal</s2>
<s3>MAR</s3>
<sZ>3 aut.</sZ>
</inist:fA14>
<country>Maroc</country>
<wicri:noRegion>Béni Mellal</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Montagne, Lionel" sort="Montagne, Lionel" uniqKey="Montagne L" first="Lionel" last="Montagne">Lionel Montagne</name>
<affiliation wicri:level="3"><inist:fA14 i1="01"><s1>Laboratoire de eristallochimie et physicochimie du solide de Lille- UMR CNRS N° 8012-ENSCL, BP 108</s1>
<s2>59650 Villeneuve d'Ascq</s2>
<s3>FRA</s3>
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<author><name sortKey="Mentre, Olivier" sort="Mentre, Olivier" uniqKey="Mentre O" first="Olivier" last="Mentre">Olivier Mentre</name>
<affiliation wicri:level="3"><inist:fA14 i1="01"><s1>Laboratoire de eristallochimie et physicochimie du solide de Lille- UMR CNRS N° 8012-ENSCL, BP 108</s1>
<s2>59650 Villeneuve d'Ascq</s2>
<s3>FRA</s3>
<sZ>1 aut.</sZ>
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<country>France</country>
<placeName><region type="region" nuts="2">Hauts-de-France</region>
<region type="old region" nuts="2">Nord-Pas-de-Calais</region>
<settlement type="city">Villeneuve d'Ascq</settlement>
</placeName>
</affiliation>
</author>
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<series><title level="j" type="main">Journal of solid state chemistry : (Print)</title>
<title level="j" type="abbreviated">J. solid state chem. : (Print)</title>
<idno type="ISSN">0022-4596</idno>
<imprint><date when="2006">2006</date>
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<seriesStmt><title level="j" type="main">Journal of solid state chemistry : (Print)</title>
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<idno type="ISSN">0022-4596</idno>
</seriesStmt>
</fileDesc>
<profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Bismuth phosphates</term>
<term>Chemical shift</term>
<term>Cobalt phosphates</term>
<term>Deconvolution</term>
<term>Experimental study</term>
<term>Lattice parameters</term>
<term>Magnesium phosphates</term>
<term>Multi-element compounds</term>
<term>Neutron diffraction</term>
<term>Nuclear magnetic resonance</term>
<term>Refinement</term>
<term>Solid solutions</term>
<term>XRD</term>
<term>Zinc phosphates</term>
</keywords>
<keywords scheme="Pascal" xml:lang="fr"><term>Etude expérimentale</term>
<term>Résonance magnétique nucléaire</term>
<term>Paramètre cristallin</term>
<term>Déconvolution</term>
<term>Affinement</term>
<term>Diffraction RX</term>
<term>Diffraction neutron</term>
<term>Déplacement chimique</term>
<term>Solution solide</term>
<term>Bismuth phosphate</term>
<term>Magnésium phosphate</term>
<term>Zinc phosphate</term>
<term>Cobalt phosphate</term>
<term>Composé n éléments</term>
<term>BiZnMg2-xPO6</term>
<term>Bi Mg O P Zn</term>
<term>BiCdMg2-xPO6</term>
<term>Bi Cd Mg O P</term>
<term>6166F</term>
<term>7660C</term>
</keywords>
</textClass>
</profileDesc>
</teiHeader>
<front><div type="abstract" xml:lang="en">Two solid solutions BiM<sub>x</sub>
Mg<sub>2-x)</sub>
PO<sub>6</sub>
 (with M<sup>2+</sup>
 = Zn or Cd) have been studied through <sup>31</sup>
P MAS NMR. The analysis has been performed on the basis of refined crystal structures through X-ray diffraction and neutron diffraction. The BiZn<sub>x</sub>
Mg<sub>(2-x</sub>
)PO<sub>6</sub>
 does not provide direct evidence for sensitive changes in the phosphorus local symmetry. This result is in good agreement with structural data which show nearly unchanged lattices and atomic separations through the Zn<sup>2+</sup>
 for Mg<sup>2+</sup>
 substitution. On the other hand, the Cd<sup>2+</sup>
 for Mg<sup>2+</sup>
 substitution behaves differently. Indeed, up to five resonances are observed, each corresponding to one of the five first-cationic neighbour distributions, i.e. 4Mg/0Cd, 3Mg/lCd, 2Mg/2Cd, 1Mg/3Cd and 0Mg/4Cd. Their intensities match rather well the expected weight for each configuration of the statistical Cd<sup>2+</sup>
/Mg<sup>2+</sup>
 mixed occupancy. The match is further improved when one takes into account the influence of the 2nd cationic sphere that is available from high-field NMR data (18.8T). Finally, the fine examination of the chemical shift for each resonance versus x allows to de-convolute the mean Z/a<sup>2</sup>
 effective field into two sub-effects: a lattice constraint-only term and a chemical-only term whose effects are directly quantifiable.</div>
</front>
</TEI>
<affiliations><list><country><li>France</li>
<li>Maroc</li>
</country>
<region><li>Hauts-de-France</li>
<li>Nord-Pas-de-Calais</li>
</region>
<settlement><li>Villeneuve d'Ascq</li>
</settlement>
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<tree><country name="France"><region name="Hauts-de-France"><name sortKey="Colmont, Marie" sort="Colmont, Marie" uniqKey="Colmont M" first="Marie" last="Colmont">Marie Colmont</name>
</region>
<name sortKey="Delevoye, Laurent" sort="Delevoye, Laurent" uniqKey="Delevoye L" first="Laurent" last="Delevoye">Laurent Delevoye</name>
<name sortKey="Mentre, Olivier" sort="Mentre, Olivier" uniqKey="Mentre O" first="Olivier" last="Mentre">Olivier Mentre</name>
<name sortKey="Montagne, Lionel" sort="Montagne, Lionel" uniqKey="Montagne L" first="Lionel" last="Montagne">Lionel Montagne</name>
</country>
<country name="Maroc"><noRegion><name sortKey="El Mostafa Ketatni" sort="El Mostafa Ketatni" uniqKey="El Mostafa Ketatni" last="El Mostafa Ketatni">EL MOSTAFA KETATNI</name>
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</country>
</tree>
</affiliations>
</record>

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Structural and 31P NMR investigation of Bi(MM')2PO6 statistic solid solutions : Deconvolution of lattice constraints and cationic influences

Structural and 31P NMR investigation of Bi(MM')2PO6 statistic solid solutions : Deconvolution of lattice constraints and cationic influences

Source :

Descripteurs français

English descriptors

Abstract

Links toward previous steps (curation, corpus...)

Links to Exploration step

Le document en format XML

Pour manipuler ce document sous Unix (Dilib)

Pour mettre un lien sur cette page dans le réseau Wicri