Rietveld refinement of X-ray powder data and bond-valence calculations of NdSrNi0.5Cr0.5O4-δ compound
Identifieur interne : 000378 ( Main/Merge ); précédent : 000377; suivant : 000379Rietveld 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.
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DOI: 10.1154/1.3478715
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<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>
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