Registration Number
2120U010912, Article
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Текст
Title
Reciprocal K2TeI6 + Rb2TeBr6 and K2TeBr6 + Rb2TeI6 system: phase relations, crystal and electronic structures (AI translated)
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Barchiy I.
Барчій Ігор Євгенович
Zubaka O.
Зубака Оксана Василівна
Peresh E.
Переш Євген Юлійович
Sidey V.
Сідей Василь Іванович
Kokhan O.
Кохан Олександр Павлович
Stercho I.
Стерчо Іванна Петрівна
Fedorchuk A.
Piasecki M.
Barchiy I.
Barchii Ihor Yevhenovych
Zubaka O.
Zubaka Oksana Vasylivna
Peresh E.
Peresh Yevhen Yuliiovych
Sidey V.
Sidei Vasyl Ivanovych
Kokhan O.
Kokhan Oleksandr Pavlovych
Stercho I.
Stercho Ivanna Petrivna
Fedorchuk A.
Piasecki M.
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01-01-2020
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Ужгородський національний університет
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https://dspace.uzhnu.edu.ua/jspui/handle/lib/62378
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Ivan Franko National University of Lviv
Description
The stability of the K2TeBr6(I6) and Rb2ТеBr6(I6) compounds with perovskite structures was assessed within
the idealized model of hard spheres (Goldschmidt’s rule). The possibility of formation of solid solutions along
sections of the reciprocal system K2TeI6 + Rb2TeBr6 « K2TeBr6 + Rb2TeI6 was considered according to the
quantitative criteria of Vozdvyzhensky. The K2TeBr6–Rb2TeI6 system was investigated by DTA and X-ray
diffraction and the phase diagram was constructed. The binary system is of the invariant eutectic type and
characterized by the formation of limited solid solutions. On the basis of crystallographic data the bonds
lengths in the crystal structures were compared with the covalent and ionic radii of the atoms. The results
showed that the chemical bonds in the K2TeBr6(I6) and Rb2ТеBr6(I6) ternary compounds are of the mixed
(combined) type – iono-covalent with a larger ionic component. The electronic structures of the
K2(Rb2)TeBr6(I6) compounds were calculated by the ab initio quantum-mechanical DFT method.
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2026-06-13
