Atomic structure of Sr0.75Ba0.25Nb2O6 single crystal and composition-structure-property relationin (Sr,Ba)Nb2O6 solid solutions

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.