Analysis of the crystal structure of the Ba3TeO6 compound

Keywords: X-ray diffraction analysis, Bragg-Bertrand survey geometry, Rietveld method, crystal structure, Ba3TeO6 composition


The object of research is the crystal structure of the Ba3TeO6 compound. It is known from the literature that this material has photoluminescent properties and crystallizes in the tetragonal system with the space symmetry group I41/a (88) and lattice periods a=19.3878 А; b=19.3878 Аº, c=34.909 Аº. At the same time, there are data on two other polymorphic modifications of this compound, which are in the PDF-2 database for 2009. Therefore, information about the crystal structure of this compound is incomplete. The existence of different spectra for a given compound mentioned in the literature may be due to different methods of synthesis of this compound. A study of the crystal structure of the compound Ba3TeO6 under the number 00-035-0995 in the PDF-2 database for 2009 is proposed.

The study used the 2009 PDF-2 database. As well as the HighScorePlus 3.0 program (Netherlands), which makes it possible to refine the microstructural parameters of a structural model using the Rietveld method.

The diffraction spectrum for the study was generated using the HighScorePlus 3.0 program and the 2009 pdf-2 database connected to it in UDF format.

As a result, it was found that this diffraction spectrum of the studied compound can correspond to the following structural model: orthorhombic system with lattice periods a=4.2910 A; b=4.4062 A; c=4.3459 A. The space symmetry group Pnnn(48) is possible.

Analyzing the results obtained, it should be recognized that the studied structure of the compound crystallizes in its own structural type. At the same time, the crystal structures of the polymorphic modifications of this compound are similar.

The study of the crystal structure of the compound contributes to a better understanding of its physical properties, in particular, photoluminescence


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Author Biography

Viktor Zavodyannyi, Kherson State Agrarian and Economic University

Department of Construction


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How to Cite
Zavodyannyi, V. (2022). Analysis of the crystal structure of the Ba3TeO6 compound. EUREKA: Physics and Engineering, (2), 111-115.
Material Science