CRYSTAL STRUCTURE ANALYSIS OF K3VF6 COMPOUND

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.