Analysis of the crystal structure of the Ba3TeO6 compound
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
Külcü, N., Trömel, M. (1984). Phasenumwandlungen und thermische Ausdehnung von Sr3TeO6, Ba3TeO6und einigen ihrer Mischkristalle. Journal of Applied Crystallography, 17 (6), 456–458. doi: https://doi.org/10.1107/s0021889884011924
Blasse, G., Dirksen, G. J., Brixner, L. H. (1985). KTiOPO4 and Cs2WO2Cl4: Two exceptional cases of do ion luminescence. Materials Research Bulletin, 20 (8), 989–995. doi: https://doi.org/10.1016/0025-5408(85)90083-2
PDF-2 data bases for 2009. Available at: https://www.icdd.com/pdf-2/
Stöger, B., Weil, M., Zobetz, E. (2010). Sr3TeO6 and Ba3TeO6: double perovskites with pronounced superstructures. Zeitschrift Für Kristallographie, 225 (4), 125–138. doi: https://doi.org/10.1524/zkri.2010.1234
HighScore Plus. Available at: https://www.malvernpanalytical.com/en/products/category/software/x-ray-diffraction-software/highscore-with-plus-option/
Rietveld, H. M. (2010). The Rietveld Method: A Retrospection. Zeitschrift Für Kristallographie, 225 (12), 545–547. doi: https://doi.org/10.1524/zkri.2010.1356
Augsburger, M. S., Viola, M. C., Pedregosa, J. C., Carbonio, R. E., Alonso, J. A. (2006). Crystal structure and magnetism of the double perovskites Sr3Fe2TeO9 and Ba3Fe2TeO9: a neutron diffraction study. Journal of Materials Chemistry, 16 (43), 4235. doi: https://doi.org/10.1039/b607376j
Harari, D., Poix, P., Bernier, J. C. (1974). Etude structurale de quatre nouvelles pérovskites au cobalt. Journal of Solid State Chemistry, 11 (4), 330–339. doi: https://doi.org/10.1016/s0022-4596(74)80038-1
Scholder, R. (1958). Über Orthosalze und maximale Sauerstoff-Koordination. Angewandte Chemie, 70 (19), 583–594. doi: https://doi.org/10.1002/ange.19580701902
Cornette, J. (2010). Cristallochimie et étude vibrationnelle de composés à base de TeVIO3. Pour obtenir le grade de Docteur de L’Université de Limoges.
Crystallography open database. Available at: http://www.crystallography.net/cod/result.php?CODSESSION=ibk446llp92koavaq99b3c62qi&page=2&count=20&order_by=file&order=asc
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