Information card for entry 2008849

Structure parameters

• Chemical name: tricαesium niobium tetraselenide
• Formula: Cs3 Nb Se4
• Calculated formula: Cs3 Nb Se4
• SMILES: [Se-][Nb](=[Se])([Se-])[Se-].[Cs+].[Cs+].[Cs+]
• Title of publication: Cs~3~NbSe~4~
• Authors of publication: Krause, Oliver; Näther, Christian; Bensch, Wolfgang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1197 - 1199
• a: 10.293 ± 0.002 Å
• b: 11.909 ± 0.002 Å
• c: 10.252 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1256.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No