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New multicell model for describing the atomic structure of La3Ga5SiO14 piezoelectric crystal: Unit cells of different compositions in the same single crystal

  • Structure of Inorganic Compounds
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Abstract

Accurate X-ray diffraction study of langasite (La3Ga5SiO14) single crystal has been performed using the data obtained on a diffractometer equipped with a CCD area detector at 295 and 90.5 K. Within the known La3Ga5SiO14 model, Ga and Si cations jointly occupy the 2d site. A new model of a “multicell” consisting of two different unit cells is proposed. Gallium atoms occupy the 2d site in one of these cells, and silicon atoms occupy this site in the other cell; all other atoms correspondingly coordinate these cations. This structure implements various physical properties exhibited by langasite family crystals. The conclusions are based on processing four data sets obtained with a high resolution (sin θ/λ ≤ 1.35 Å–1), the results reproduced in repeated experiments, and the high relative precision of the study (sp. gr. P321, Z = 1; at 295 K, a = 8.1652(6) Å, c = 5.0958(5) Å, R/wR = 0.68/0.68%, 3927 independent reflections; at 90.5 K, a = 8.1559(4) Å, c = 5.0913(6) Å, R/wR = 0.92/0.93%, 3928 reflections).

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Authors and Affiliations

  1. Shubnikov Institute of Crystallography, Federal Scientific Research Centre “Crystallography and Photonics”, Russian Academy of Sciences, Moscow, 119333, Russia

    A. P. Dudka

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Correspondence to A. P. Dudka.

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Original Russian Text © A.P. Dudka, 2017, published in Kristallografiya, 2017, Vol. 62, No. 2, pp. 202–212.

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Dudka, A.P. New multicell model for describing the atomic structure of La3Ga5SiO14 piezoelectric crystal: Unit cells of different compositions in the same single crystal. Crystallogr. Rep. 62, 195–204 (2017). https://doi.org/10.1134/S1063774517020109

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