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Crystallography Reports

, Volume 63, Issue 2, pp 172–177 | Cite as

Accurate Refinement of the Crystal Structure of Ba3TaGa3Si2O14 from Langasite Family and Analysis of Structural Transformations Due to Isomorphous Cation Substitutions

  • A. P. Dudka
Structure of Inorganic Compounds

Abstract

An accurate structure analysis of a Ba3TaGa3Si2O14 single crystal from langasite family was performed using four X-ray diffraction data sets collected on a diffractometer equipped with a CCD area detector (sp. gr. P321, Z = 1, sinθ/λ ≤ 1.35 Å–1; at 295 K a = 8.516(1) Å, c = 5.1910(6) Å, R/wR = 0.58/0.56%, Δρmin/Δρmax =–0.73/0.42 e/Å3, 4414 independent reflections; at 106 K a = 8.5109(9) Å, c = 5.1861(9) Å, R/wR = 0.75/0.86%, Δρmin/Δρmax =–0.81/1.06 e/Å3, 4382 reflections). The distinguishing feature of the Ba3TaGa3Si2O14 structure is a strong disorder of the Ga atom at the 3f site. Structural transformations in the series of Сa3TaGa3Si2O14–Sr3TaGa3Si2O14–Ba3TaGa3Si2O14–Ba3TaFe3Si2O14 crystals were analyzed.

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Copyright information

© Pleiades Publishing, Inc. 2018

Authors and Affiliations

  1. 1.Shubnikov Institute of Crystallography of Federal Scientific Research Centre “Crystallography and Photonics,”Russian Academy of SciencesMoscowRussia

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