Information card for entry 7123324

Structure parameters

• Common name: Se1
• Formula: Fe18.63 Ni17.37 S28.1 Se3.9
• Calculated formula: Fe18.68 Ni17.32 S28.112 Se3.888
• Title of publication: Seleno-Analogous of Pentlandite (Fe4.5Ni4.5S8-ySey, Y = 1-6): Tuning bulk Fe/Ni Sulphoselenides for Hydrogen Evolution
• Authors of publication: Smialkowski, Mathias; Siegmund, Daniel; Pellumbi, Kevinjeorjios; Hensgen, Lars; Antoni, Hendrik; Muhler, Martin; Apfel, Ulf-Peter
• Journal of publication: Chemical Communications
• Year of publication: 2019
• Journal volume: 55
• Journal issue: 60
• Pages of publication: 8792 - 8795
• a: 10.1234 ± 0.0003 Å
• b: 10.1234 ± 0.0003 Å
• c: 10.1234 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1037.48 ± 0.05 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0105
• Residual factor for significantly intense reflections: 0.0104
• Weighted residual factors for significantly intense reflections: 0.0229
• Weighted residual factors for all reflections included in the refinement: 0.0229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No