Information card for entry 2022864

Structure parameters

• Chemical name: Silicon pernitride
• Formula: N2 Si
• Calculated formula: N2 Si
• Title of publication: Synthesis and crystal structure of silicon pernitride SiN2 at 140 GPa
• Authors of publication: Jurzick, Pascal L.; Krach, Georg; Brüning, Lukas; Schnick, Wolfgang; Bykov, Maxim
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 10
• a: 4.1205 ± 0.0005 Å
• b: 4.1205 ± 0.0005 Å
• c: 4.1205 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 69.96 ± 0.015 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 2
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.1285
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.1907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.28457 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes