Information card for entry 2022343

Structure parameters

• Chemical name: Nickel selenide
• Formula: Ni Se
• Calculated formula: Ni Se
• Title of publication: Crystal structure refinements of stoichiometric Ni~3~Se~2~ and NiSe
• Authors of publication: Unoki, Kohei; Yoshiasa, Akira; Kitahara, Ginga; Nishiayama, Tadao; Tokuda, Makoto; Sugiyama, Kazumasa; Nakatsuka, Akihiko
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 4
• Pages of publication: 169 - 175
• a: 3.66147 ± 0.0001 Å
• b: 3.66147 ± 0.0001 Å
• c: 5.35766 ± 0.00016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 62.204 ± 0.003 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0193
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for all reflections included in the refinement: 0.0429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.238
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes