Information card for entry 7123325

Structure parameters

• Common name: Se4
• Formula: Fe20.12 Ni15.88 S17.14 Se14.86
• Calculated formula: Fe20.04 Ni15.96 S17.152 Se14.848
• 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: 10.3275 ± 0.0002 Å
• b: 10.3275 ± 0.0002 Å
• c: 10.3275 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1101.5 ± 0.04 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: 0.0213
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.309
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No