Cu9O2(SeO3)4Cl6 revisited: Crystal structure, Raman scattering and first-principles calculations

•The X-ray conditions in Cu9O2(SeO3)4Cl6 are consistent with P21/n space group.•Raman scattering evidences complex interplay of lattice and spin degrees of freedom.•Basing on the hierarchy of exchanges a new model of magnetic structure is suggested. Chloromenite, Cu9O2(SeO3)4Cl6, is the product of v...

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Veröffentlicht in:	Journal of alloys and compounds 2022-02, Vol.894, p.162291, Article 162291
Hauptverfasser:	Denisova, K., Lemmens, P., Wulferding, D., Berdonosov, P., Dolgikh, V., Murtazoev, A., Kozlyakova, E., Maximova, O., Vasiliev, A., Shchetinin, I., Dolgushin, F., Iqbal, A., Rahaman, B., Saha-Dasgupta, T.
Format:	Artikel
Sprache:	eng
Schlagworte:	Chloromenite Crystal lattices Crystal structure Density functional theory First principles First principles calculations Interaction parameters Magnetic properties Magnetic structure Raman Scattering Raman spectra Single crystals Temperature dependence Volcanic activity
Online-Zugang:	Volltext
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