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X-ray diffuse scattering in SrTiO3 and model of atomic displacements

Author:
None  


Journal:
Journal of Applied Crystallography


Issue Date:
2012


Abstract(summary):

The scattering intensity of synchrotron radiation in a compact three-dimensional volume of the reciprocal space (sintheta max/lambda = 0.6283 Aring -1) of an SrTiO 3 single crystal has been measured at temperatures of 115, 130 and 293 K. The curvilinear features of the diffuse pattern were modelled according to the displacements of both cations correlated along the axis [001] cub (where the subscript cub denotes the cubic structure). The results show that Sr 2+ is displaced from the ideal positions along the crystallographic axis [001] cub, forming a short chain composed of about three Sr 2+ ions along [001] cub, while the Ti 4+ ions are moved in the directions [111] cub, or alternatively [101] cub or [011] cub. The Ti 4+ displacements are also correlated along [001] cub, forming a similarly short chain.


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