Synthesis and characterization of XeAr2 under high pressure

Mengnan Wang, Mikhail A. Kuzovnikov, Jack Binns, Xiaofeng Li, Miriam Pena Alvarez, Andreas Hermann, Eugene Gregoryanz, Ross T. Howie*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract / Description of output

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.
Original languageEnglish
Article number134508
Pages (from-to)1-6
Number of pages6
JournalThe Journal of Chemical Physics
Volume159
Issue number13
DOIs
Publication statusPublished - 7 Oct 2023

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