Synthesis and characterization of XeAr2 under high pressure

The binary Xe–Ar system has been studied in a series of high pressure diamond anvil cell experiments up to 60 GPa at 300 K. In-situ x-ray powder diffraction and Raman spectroscopy indicate the formation of a van der Waals compound, XeAr2, at above 3.5 GPa. Powder x-ray diffraction analysis demonstra...

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Published inThe Journal of chemical physics Vol. 159; no. 13
Main Authors Wang, Mengnan, Kuzovnikov, Mikhail A., Binns, Jack, Li, Xiaofeng, Peña-Alvarez, Miriam, Hermann, Andreas, Gregoryanz, Eugene, Howie, Ross T.
Format Journal Article
LanguageEnglish
Published United States 07.10.2023
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Summary:The binary Xe–Ar system has been studied in a series of high pressure diamond anvil cell experiments up to 60 GPa at 300 K. In-situ x-ray powder diffraction and Raman spectroscopy indicate the formation of a van der Waals compound, XeAr2, at above 3.5 GPa. Powder x-ray diffraction analysis demonstrates that XeAr2 adopts a Laves MgZn2-type structure with space group P63/mmc and cell parameters a = 6.595 Å and c = 10.716 Å at 4 GPa. Density functional theory calculations support the structure determination, with agreement between experimental and calculated Raman spectra. Our DFT calculations suggest that XeAr2 would remain stable without a structural transformation or decomposition into elemental Xe and Ar up to at least 80 GPa.
ISSN:0021-9606
1089-7690
DOI:10.1063/5.0158742