Revealing Phosphorus Nitrides up to the Megabar Regime: Synthesis of α’-P3N5,δ-P3N5 and PN2

Dominique Laniel*, Florian Trybel*, Adrien Neri, Yuqing Yin, Andrey Aslandukov, Timofey Fedotenko, Saiana Khandarkhaeva, Ferenc Tasnadi, Stella Chariton, Carlotta Giacobbe, Eleanor Lawrence Bright, Michael Hanfland, Vitali Prakapenka, Wolfgang Schnick, Igor A. Abrikosov, Leonid Dubrovinsky, Natalia Dubrovinskaia

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract / Description of output

Non-metal nitrides are an exciting field of chemistry, featuring a significant number of compounds that can possess outstanding material properties. These properties mainly rely on maximizing the number of strong covalent bonds, with crosslinked XN6 octahedra frameworks being particularly attractive. In this study, the phosphorus–nitrogen system was studied up to 137 GPa in laser-heated diamond anvil cells, and three previously unobserved phases were synthesized and characterized by single-crystal X-ray diffraction, Raman spectroscopy measurements and density functional theory calculations. δ-P3N5 and PN2 were found to form at 72 and 134 GPa, respectively, and both feature dense 3D networks of the so far elusive PN6 units. The two compounds are ultra-incompressible, having a bulk modulus of K0=322 GPa for δ-P3N5 and 339 GPa for PN2. Upon decompression below 7 GPa, δ-P3N5 undergoes a transformation into a novel α′-P3N5 solid, stable at ambient conditions, that has a unique structure type based on PN4 tetrahedra. The formation of α′-P3N5 underlines that a phase space otherwise inaccessible can be explored through materials formed under high pressure.
Original languageEnglish
Article numbere202201998
Pages (from-to)1-9
Number of pages9
JournalChemistry - A European Journal
Issue number62
Early online date23 Aug 2022
Publication statusPublished - 7 Nov 2022

Keywords / Materials (for Non-textual outputs)

  • high-pressure high-temperature synthesis
  • non-metal nitrides
  • PN6 octahedra
  • synchrotron single-crystal X-ray diffraction
  • ultra-incompressibility


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