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X‐ray diffuse scattering in SrTiO 3 and model of atomic displacements
Author(s) -
Kopecký Miloš,
Fábry Jan,
Kub Jiří
Publication year - 2012
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889812011867
Subject(s) - reciprocal lattice , scattering , ion , crystallography , synchrotron radiation , curvilinear coordinates , synchrotron , crystal structure , intensity (physics) , chemistry , x ray , physics , molecular physics , materials science , optics , diffraction , organic chemistry , quantum mechanics
The scattering intensity of synchrotron radiation in a compact three‐dimensional volume of the reciprocal space (sinθ max /λ = 0.6283 Å −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.