Structural investigations of (Ca,Sr)ZrO3 and Ca(Sn,Zr)O3 perovskite compounds |
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Authors: | Martine Tarrida H. Larguem M. Madon |
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Affiliation: | (1) Laboratoire Géomatériaux et Géologie de l’Ingénieur (G2I), Université Paris-Est, EA 4119, 5 bd Descartes, 77454 Marne la Vallée Cedex 2, France |
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Abstract: | (Ca x ,Sr1?x )ZrO3 and Ca(Sn y ,Zr1-y )O3 solid solutions were synthesized by solid-state reaction at high temperature before to be studied by powder X-ray diffraction and Raman Spectroscopy. Diffraction data allow the distortion of the ABO3 perovskite structure to be investigated according to cations substitution on A and B-sites. It is shown that distortion, characterized by Φ, the tilt angle of BO6 octahedra, slightly increases with decreasing y content in Ca(Sn y ,Zr1?y )O3 compounds and strongly decreases with decreasing x content in (Ca x ,Sr1?x )ZrO3 compounds. Such results are discussed in view of the relative A and B cation sizes. Raman data show that vibrational spectra are strongly affected by the cation substitution on A-site; the frequencies of most vibrational modes increase with increasing x content in (Ca x ,Sr1?x )ZrO3 compounds, i.e. with the decreasing mean size of the A-cation; the upper shift is observed for the 358 cm?1 mode (?ν/?r = ?60.1 cm?1/Å). On the other hand, the cation substitution on B-sites, slightly affect the spectra; it is shown that in most cases, the frequency of vibrational modes increases with increasing y content in Ca(Sn y ,Zr1?y )O3 compounds, i.e. with the decreasing mean size of the B-cation, but that two modes (287 and 358 cm?1) behave differently: their frequencies decrease with the decreasing mean size of the B-cation, with a shift respectively equal to +314 and +162 cm?1/Å. Such results could be used to predict the location of different elements such as trivalent cations or radwaste elements on A- or B-site, in the perovskite structure. |
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Keywords: | Perovskite Solid solution X-ray diffraction Raman spectroscopy |
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