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J Phys Condens Matter ; 24(17): 175404, 2012 May 02.
Article in English | MEDLINE | ID: mdl-22475790

ABSTRACT

The structural data and Raman spectra of distorted R(3+)B(3+)O(3) perovskites (R(3+)-rare earth, B(3+)=Al, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Ga) with BO(6) octahedral tilts were critically reviewed in order to obtain the frequency (ω) versus BO(6) tilt angle (α) dependence of the quasi-soft vibrational modes. It was found that the relation ω = Ï°α is satisfied in a good approximation for each RBO(3) family with fixed B atom, despite the different spatial tilt orientations for compounds of the same series with either orthorhombic Pnma or rhombohedral R ̅3c structure. The dependence of the proportionality coefficient Ï° on the averaged octahedral distance can be described using different functions (power, linear and exponential ones). The established dependences can be used for analysis of Raman data and heuristic prediction of structural second-order transitions.


Subject(s)
Calcium Compounds/chemistry , Coordination Complexes/chemistry , Iron/chemistry , Metals, Rare Earth/chemistry , Oxides/chemistry , Spectrum Analysis, Raman/methods , Titanium/chemistry , Boron/chemistry , Crystallography, X-Ray , Models, Molecular , Models, Statistical , Molecular Conformation , Oxygen/chemistry , Reproducibility of Results , Temperature , Vibration
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