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X-ray diffraction study of Ba3TaFe3Si2O14 single crystal—a promising langasite-type multiferroic

Abstract

Ba3TaFe3Si2O14 single crystals (sp. gr. P321, Z = 1), promising langasite-type multiferroics, have been grown by floating zone melting. An accurate X-ray diffraction study of Ba3TaFe3Si2O14 single crystal has been performed using two datasets, obtained independently for two different orientations of the same sample on a diffractometer equipped with a CCD area detector at 295 K. Structure refinement is performed based on an averaged dataset: a = 8.5355(1) Å, c = 5.2332(1) Å, sp. gr. P321, Z = 1; the R factors of model structure refinement were found to be R/wR = 1.02/1.23% for 4552 independent reflections. Disordering asymmetry is revealed for the magnetic Fe ion in the 3f site and the Ba cation in the 3e site.

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Correspondence to A. P. Dudka.

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Original Russian Text © A.P. Dudka, A.M. Balbashov, I.S. Lyubutin, 2016, published in Kristallografiya, 2016, Vol. 61, No. 1, pp. 31–35.

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Dudka, A.P., Balbashov, A.M. & Lyubutin, I.S. X-ray diffraction study of Ba3TaFe3Si2O14 single crystal—a promising langasite-type multiferroic. Crystallogr. Rep. 61, 24–28 (2016). https://doi.org/10.1134/S1063774516010053

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  • DOI: https://doi.org/10.1134/S1063774516010053

Keywords

  • Crystallography Report
  • Atomic Disorder
  • Laue Pattern
  • Final Structural Model
  • Local Atomic Environment