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Rietveld refinement of X-ray powder data and bond-valence calculations of NdSrNi0.5Cr0.5O4-δ compound

Published online by Cambridge University Press:  29 February 2012

Hanèn Chaker ,
Thierry Roisnel ,
Monica Ceretti  and
R. Ben Hassen
Hanèn Chaker*
Affiliation:
Unité de Recherche de Chimie des Matériaux, ISSBAT, Université de Tunis El Manar, 9 Avenue Dr. Zoheir Safi, 1006 Tunis, Tunisia
Thierry Roisnel
Affiliation:
Centre de Diffractométrie X, UMR 6226, Sciences Chimiques de Rennes, CNRS, Université de Rennes 1, Bat. 10B, Campus de Beaulieu, Avenue du Général Leclerc, 35042 Rennes Cedex, France
Monica Ceretti
Affiliation:
Sciences Chimiques de Rennes, UMR 6226 CNRS, Université de Rennes 1, «Matériaux Inorganiques: Chimie Douce Et Réactivité», Bat. 10B, Campus de Beaulieu, Avenue du Général Leclerc, 35042 Rennes Cedex, France
R. Ben Hassen
Affiliation:
Unité de Recherche de Chimie des Matériaux, ISSBAT, Université de Tunis El Manar, 9 Avenue Dr. Zoheir Safi, 1006 Tunis, Tunisia
*
a)Author to whom correspondence should be addressed. Also at Faculté des Sciences de Sfax, Route de Soukra Km 3,5 B.P. 802-3018 Sfax, Tunisie. Electronic mail: [email protected]
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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.

Keywords

X-ray diffractionK2NiF4-type structureRietveld refinementbond-valence summixed valence of nickel
Type
Technical Articles
Information
Powder Diffraction , Volume 25 , Issue 3 , September 2010 , pp. 241 - 246
Copyright
Copyright © Cambridge University Press 2010

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