Information card for entry 2206580

Structure parameters

• Chemical name: Tricopper tetrathioniobate(V)
• Formula: Cu3 Nb S4
• Calculated formula: Cu3 Nb S4
• SMILES: [Cu+].[Cu+].[Cu+].[Nb+5].[S-2].[S-2].[S-2].[S-2]
• Title of publication: Cu~3~NbS~4~
• Authors of publication: Kars, Mohammed; Rebbah, Allaoua; Rebbah, Houria
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: i180 - i181
• a: 5.5001 ± 0.0006 Å
• b: 5.5001 ± 0.0006 Å
• c: 5.5001 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 166.38 ± 0.03 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 3
• Space group number: 215
• Hermann-Mauguin space group symbol: P -4 3 m
• Hall space group symbol: P -4 2 3
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes