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
Highlights
K3VF6 compound can be obtained by light synthesis at room temperature for V (III) and potassium-containing KF secondarily
The aim of this research is to propose a structural model for the diffraction spectrum of the K3VF6 compound under the number 00-037-0738 in the database PDF-2 for 2004
Discussion of results As follows from the literature review, the test compound has a simple state diagram of the KC1-KF-K3VF6 system, which means that other compounds are not formed during the K3VF6 synthesis
Summary
The synthesis, crystalline structure and properties of mixed secondary metals are becoming an area of interest for scientists of material science for their isoelectronic and isostructural nature with their oxide counterparts [1].Unlike oxides, the synthesis of mixed metal fluorides is limited due to the complexity that occurs during its synthesis, and many interesting properties inherent in these metal fluorides are intensively studied [1, 2].The general methods adopted for the synthesis are high temperature solid-state synthesis, high hydrothermal pressure (100 MPa), sol-gel synthesis and a solution based on chemical synthesis.K3VF6 compound can be obtained by light synthesis at room temperature for V (III) and potassium-containing KF secondarily.The non-hygroscopic nature of K3VF6 makes it an ideal electrolyte component for electrorefining or electrostriction of vanadium compared to other candidates such as VCl2 and VCl3, as well as in electrochemical cells [3, 4].investigation of the crystal structure of this compound remains relevant. The synthesis, crystalline structure and properties of mixed secondary metals are becoming an area of interest for scientists of material science for their isoelectronic and isostructural nature with their oxide counterparts [1]. K3VF6 compound can be obtained by light synthesis at room temperature for V (III) and potassium-containing KF secondarily. Investigation of the crystal structure of this compound remains relevant. The object of research is the crystal structure of the α phase of K3VF6 compound. It follows from the literature that there are six diffraction spectra of the indicated compound obtained by X-ray powder diffraction (Bragg-Bertrand method) of different quality. The aim of this research is to propose a structural model for the diffraction spectrum of the K3VF6 compound under the number 00-037-0738 in the database PDF-2 for 2004
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