Rietveld refinement of X-ray powder data and bond-valence calculations of NdSrNi0.5Cr0.5O4-δ compound
Identifieur interne : 000110 ( France/Analysis ); précédent : 000109; suivant : 000111Rietveld refinement of X-ray powder data and bond-valence calculations of NdSrNi0.5Cr0.5O4-δ compound
Auteurs : Hanèn Chaker [Tunisie] ; Thierry Roisnel [France] ; Monica Ceretti [France] ; R. Ben Hassen [Tunisie]Source :
- Powder Diffraction [ 0885-7156 ] ; 2010-09.
English descriptors
- mix :
Abstract
Compound from the solid-solution NdSrNi1−xCrxO4−δ, 0≤x≤1, has been prepared using conventional solid-state method and was characterized by X-ray powder diffraction. The NdSrNi0.5Cr0.5O4−δ sample shows the adoption of the K2NiF4-type structure based on the tolerance factor calculation. X-ray diffraction analysis using the Rietveld method was carried out and it was found that NdSrNi0.5Cr0.5O4−δ compound crystallizes in tetragonal symmetry with space group I4/mmm. The lattice parameters are found to be at room temperature, a=3.8012(3) Å and c=12.4812(1) Å. For X-ray diffraction data, the reliability factors are RB=0.034, Rwp=0.089, and χ2=1.17. Bond-valence sum calculations were performed for nickel and chromium. The changes in unit-cell parameters are discussed in terms of oxygen stoichiometry and transition metal (3d) oxidation state from the perspective of the Brown bond-valence sum calculation theory.
Url:
DOI: 10.1154/1.3478715
Affiliations:
- France, Tunisie
- Gouvernorat de Tunis, Région Bretagne
- Rennes, Tunis
- Université de Rennes 1, Université de Tunis - El Manar, Université européenne de Bretagne
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- to stream Main, to step Exploration: 000369
- to stream France, to step Extraction: 000110
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Hal:hal-00737515Le document en format XML
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Ben Hassen</name><affiliation wicri:level="1"><hal:affiliation type="laboratory" xml:id="struct-100202" status="INCOMING"> <orgName>Unité de Recherche de Chimie des Matériaux</orgName> <orgName type="acronym">ISSBAT</orgName> <desc> <address> <addrLine>Tunis</addrLine> <country key="TN"></country> </address> </desc> <listRelation> <relation active="#struct-303950" type="direct"></relation> </listRelation><tutelles><tutelle active="#struct-303950" type="direct"><org type="institution" xml:id="struct-303950" status="INCOMING"> <orgName>Université de Tunis El Manar</orgName> <desc> <address> <country key="FR"></country> </address> </desc></org></tutelle></tutelles></hal:affiliation><country>Tunisie</country><placeName><settlement type="city">Tunis</settlement><region type="region" nuts="2">Gouvernorat de Tunis</region></placeName><orgName type="university">Université de Tunis - El Manar</orgName></affiliation></author></analytic><idno type="DOI">10.1154/1.3478715</idno><series><title level="j">Powder Diffraction</title><idno type="ISSN">0885-7156</idno><imprint><date type="datePub">2010-09</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass><keywords scheme="mix" xml:lang="en"><term>K2NiF4-type structure</term><term>Rietveld refinement</term><term>X-ray diffraction</term><term>bond-valence sum</term><term>mixed valence of nickel</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">Compound from the solid-solution NdSrNi1−xCrxO4−δ, 0≤x≤1, has been prepared using conventional solid-state method and was characterized by X-ray powder diffraction. The NdSrNi0.5Cr0.5O4−δ sample shows the adoption of the K2NiF4-type structure based on the tolerance factor calculation. X-ray diffraction analysis using the Rietveld method was carried out and it was found that NdSrNi0.5Cr0.5O4−δ compound crystallizes in tetragonal symmetry with space group I4/mmm. The lattice parameters are found to be at room temperature, a=3.8012(3) Å and c=12.4812(1) Å. For X-ray diffraction data, the reliability factors are RB=0.034, Rwp=0.089, and χ2=1.17. Bond-valence sum calculations were performed for nickel and chromium. The changes in unit-cell parameters are discussed in terms of oxygen stoichiometry and transition metal (3d) oxidation state from the perspective of the Brown bond-valence sum calculation theory.</div></front></TEI><affiliations><list><country><li>France</li><li>Tunisie</li></country><region><li>Gouvernorat de Tunis</li><li>Région Bretagne</li></region><settlement><li>Rennes</li><li>Tunis</li></settlement><orgName><li>Université de Rennes 1</li><li>Université de Tunis - El Manar</li><li>Université européenne de Bretagne</li></orgName></list><tree><country name="Tunisie"><region name="Gouvernorat de Tunis"><name sortKey="Chaker, Hanen" sort="Chaker, Hanen" uniqKey="Chaker H" first="Hanèn" last="Chaker">Hanèn Chaker</name></region><name sortKey="Ben Hassen, R" sort="Ben Hassen, R" uniqKey="Ben Hassen R" first="R." last="Ben Hassen">R. Ben Hassen</name></country><country name="France"><region name="Région Bretagne"><name sortKey="Roisnel, Thierry" sort="Roisnel, Thierry" uniqKey="Roisnel T" first="Thierry" last="Roisnel">Thierry Roisnel</name></region><name sortKey="Ceretti, Monica" sort="Ceretti, Monica" uniqKey="Ceretti M" first="Monica" last="Ceretti">Monica Ceretti</name></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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