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JOURNALS // Fizika Tverdogo Tela // Archive

Fizika Tverdogo Tela, 2024 Volume 66, Issue 10, Pages 1736–1741 (Mi ftt10454)

Dielectrics

Crystal structure and cationic ordering in ludwigites Co$_{3-x}$Ni$_x$BO$_5$

S. N. Sofronova, A. V. Chernyshov, A. D. Vasil'ev, A. V. Shabanov

Kirensky Institute of Physics, Federal Research Center KSC SB, Russian Academy of Sciences, Krasnoyarsk, Russia

Abstract: The structure and composition of two solid solutions of Co$_{3-x}$Ni$_x$BO$_5$ with the ludwigite structure, the nickel ion concentrations in which are $x$ = 0.33 and $x$ = 0.59, are determined. Within the framework of the first-principles calculation, the cationic ordering for three concentrations $x$ = 0.25, 0.5, 0.75. It was found that nickel cations prefer to occupy positions 2a and 4g.

Keywords: ludwigite, cation ordering, crystal structure.

Received: 17.09.2024
Revised: 17.09.2024
Accepted: 28.09.2024

DOI: 10.61011/FTT.2024.10.59080.240



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© Steklov Math. Inst. of RAS, 2025