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Synthesis and crystal structure of silicon pernitride SiN₂ at 140 GPa.

ABSTRACT: Silicon pernitride, SiN₂, was synthesized from the elements at 140 GPa in a laser-heated diamond anvil cell. Its crystal structure was solved and refined by means of synchrotron-based single-crystal X-ray diffraction data. The title compound crystallizes in the pyrite structure type (space group Pa , No. 205). The Si atom occupies a site with multiplicity 4 (Wyckoff letter b, site symmetry ..), while the N atom is located on a site with multiplicity 8 (Wyckoff letter c, site symmetry .3.). The crystal structure of SiN₂ is comprised of slightly distorted [SiN₆] octa-hedra inter-connected with each other by sharing vertices. Crystal chemical analysis of bond lengths suggests that Si has a formal oxidation state of +IV, while nitro-gen forms pernitride anions (N-N)^4-.

SUBMITTER: Jurzick PL

PROVIDER: S-EPMC10561209 | biostudies-literature | 2023 Oct

REPOSITORIES: biostudies-literature

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Synthesis and crystal structure of silicon pernitride SiN2 at 140 GPa.

Jurzick Pascal L PL Krach Georg G Brüning Lukas L Schnick Wolfgang W Bykov Maxim M

Acta crystallographica. Section E, Crystallographic communications 20230919 Pt 10

Silicon pernitride, SiN2, was synthesized from the elements at 140 GPa in a laser-heated diamond anvil cell. Its crystal structure was solved and refined by means of synchrotron-based single-crystal X-ray diffraction data. The title compound crystallizes in the pyrite structure type (space group Pa , No. 205). The Si atom occupies a site with multiplicity 4 (Wyckoff letter b, site symmetry ..), while the N atom is located on a site with multiplicity 8 (Wyckoff letter ...[more]

PMID: 37817965

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