CRYSTAL STRUCTURE ANALYSIS OF K3VF6 COMPOUND

Viktor Zavodyannyi

Abstract


The object of research is the crystal structure of the a phase of K3VF6 compound. From the analysis of the literature it follows that there are three modifications of this compound – the a phase, the b phase and the g phase. There are also several methods for preparing this compound. One of the problem areas is the existence of a large number of diffraction spectra obtained with the Bragg-Bertrand survey geometry in the PDF-2 database for 2004. There is also no complete data on the crystal structure of this compound. A structural model is proposed for the diffraction spectrum of the compound under the number 00-037-0738.

The study used the PDF-2 database for 2004. As well as the HighScorePlus program, which allows to refine the microstructural parameters of the structural model by the Rietveld method.

As a result, it is found that this diffraction spectrum of the compound under study can correspond to the following structural model: tetragonal system with lattice periods a=12.3524(4) A0; b=12.3524(4) A0; c=16.7447(7)A0. A possible spatial symmetry group is I41/a (88).

Analyzing the obtained results, it can be assumed that the studied structure of the a phase of the compound crystallizes in its own structural type

Keywords


X-ray diffraction analysis; Bragg-Bertrand survey geometry; Rietveld method; crystal structure; K3VF6 composition

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References


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DOI: http://dx.doi.org/10.21303/2461-4262.2020.001175

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