Sofronova S.N.1, Chernyshov A.V.1, Vasiljev A.D.1, Shabanov A.V.1
1Kirensky Institute of Physics, Federal Research Center KSC SB, Russian Academy of Sciences, Krasnoyarsk, Russia
Email: ssn@iph.krasn.ru
The structure and composition of two solid solutions of Co3-xNixBO5 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.
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