Issue 19, 2024

Crystal growth and cation order of Ni3−xCoxB2O6 oxyborates

Abstract

A series of single crystals of Ni3−xCoxB2O6 compounds with the kotoite structure and with different concentrations of transition metal ions (x = 0; 0.19; 0.6; 0.93 and 2) were obtained. The lattice parameters and atomic coordinates were determined using X-ray diffraction. The theoretical calculations using the WIEN2k package predict that nickel ions tend to occupy the 4f crystallographic position, while cobalt ions tend to occupy the 2a crystallographic position. The study of the diffuse scattering spectra and comparison of the Racah parameters for the compounds Ni3B2O6 and Co2NiB2O6 provides experimental evidence that nickel ions occupy crystallographic position 4f.

Graphical abstract: Crystal growth and cation order of Ni3−xCoxB2O6 oxyborates

Supplementary files

Article information

Article type
Paper
Submitted
31 Jan 2024
Accepted
09 Apr 2024
First published
11 Apr 2024

CrystEngComm, 2024,26, 2536-2543

Crystal growth and cation order of Ni3−xCoxB2O6 oxyborates

S. Sofronova, E. Moshkina, A. Chernyshev, A. Vasiliev, N. G. Maximov, A. Aleksandrovsky, T. Andryushchenko and A. Shabanov, CrystEngComm, 2024, 26, 2536 DOI: 10.1039/D4CE00091A

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