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Atomic structure of Sr0.75Ba0.25Nb2O6 single crystal and composition-structure-property relationin (Sr,Ba)Nb2O6 solid solutions
Authors:T S Chernaya  B A Maksimov  T R Volk  L I Ivleva  V I Simonov
Institution:(1) Shubnikov Institute of Crystallography, Russian Academy of Sciences, Leninskii pr. 59, Moscow, 117333, Russia;(2) Institute of General Physics, Russian Academy of Sciences, ul. Vavilova 38, Moscow, 117942, Russia
Abstract:The structure of the Sr0.75Ba0.25Nb2O6 single crystal has been investigated by x-ray diffraction. The occupancies of the Ba and Sr sites in two structural channels are determined. It is found that these sites are split in the large (pentagonal) channel. A qualitative correlation is revealed between the smearing of the phase transition and the displacement of the Sr atom from the m symmetry plane in the pentagonal channel at different Sr]/Ba] ratios. The degree of acentricity of the NbO6 octahedra is analyzed as a function of the Sr]/Ba] ratio.
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