X-Ray Structure Investigation of Sr3NbGa3Si2O14 Langasite Family Crystal |
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| Authors: | A. P. Dudka |
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| Affiliation: | 1.Shubnikov Institute of Crystallography, Federal Scientific Research Centre “Crystallography and Photonics,”,Russian Academy of Sciences,Moscow,Russia |
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| Abstract: | An accurate structure analysis of Sr3NbGa3Si2O14 single crystals, belonging to the langasite family, has been performed. Two datasets are obtained on an Xcalibur S diffractometer equipped with a CCD detector. The structure is been refined using an averaged dataset: sp. gr. P 321, Z = 1, 295 K, sin θ/λ ≤ 1.35 Å–1, a = 8.2797(3) Å, c = 5.0774(5) Å; the agreement factors between the model and experiment are found to be R/wR = 0.76/0.64% and Δρmin/Δρmax =–0.21/0.17 e/Å3 for 3820 independent ref lections. The Sr3NbGa3Si2O14 and Sr3NbFe3Si2O14 structures are compared, and the role of magnetic ions in the predicted P321 → P3 phase transition is analyzed. |
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