Archive / Volume LXX 2022

Inna IVASHCHENKO, Valentyna KOZAK, Lyubomyr Gulay, Ivan OLEKSEYUK

Lesya Ukrainka Volyn National University, Volya Ave., 13, 43000 Lutsk, Ukraine
e-mail: ivashchenko.inna@vnu.edu.ua

DOI: https://doi.org/10.37827/ntsh.chem.2022.70.062

CRYSTAL STRUCTURE OF AgGa₂Se₃Cl(Br) COMPOUNDS

For the first time, the crystal structures of new quaternary compounds were studied by the powder method. They crystallize in tetragonal system, Sp.Gr. I-4, structural type CuIn₂Te₃Cl, with cell parameters: AgGa₂Se₃Cl (a = 5.9789(3) Å, c = 10.8592(7) Å), AgGa₂Se₃Br (a = 5.9767(3) Å, c = 10.8558(7) Å). From the analysis of the crystal structure it was found that the researched quaternary compounds belong to semiconductors with the general formula A^ІВ^ІІІ₂X^VI₃Y^VII (A^I – Cu, Ag; В^III – Ga, In; X^VI – S, Se; Y^VII – Cl, Br, I). Chalcohalide compounds of the А^IС^ІІІ₂X^VI₃Y^VIІ type refers to cation-defective compounds with a ratio of cations to anions 3:4. Their compositions can be represented by the formula Kn-u□uAn, where K cations, □ vacancies, A anions, u the first letter of the word unoccupied. For these compounds VEC = 4,571. If we consider the vacancy as an atom with zero valence, we get for compounds А^IС^III₂□X^VI₃Y^VIІ VEC = 4. This structure refers to the tetrahedrals when the cations are surrounded by the four nearest anions. This is confirmed by the studied crystal structures of the compounds AgGa₂Se₃Cl(Br). The semiconductor properties can be expected from these and other compounds from the group A^IВ^III₂X^VI₃Y^VII (A^I – Cu, Ag; В^III – Ga, In; X^VI – S, Se; Y^VII – Cl, Br, I).

Keywords: chalcohalides, crystal structure, X-ray diffraction analysis, semiconductor.

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How to Cite

Ivashchenko I., Kozak V., Gulay L., Olekseyuk I. CRYSTAL STRUCTURE OF AgGa₂Se₃Cl(Br) COMPOUNDS. Proc. Shevchenko Sci. Soc. Chem. Sci. 2022 Vol. LXX. P. 62-68.

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