Information card for entry 4312574

Structure parameters

• Formula: Cl11 Nb3 Tl V
• Calculated formula: Cl11 Nb3 Tl V
• Title of publication: AVNb3Cl11 (A = K, Rb, Cs, Tl): A Series of Layered Vanadium Niobium Halides Based on Triangular Nb3 Clusters
• Authors of publication: Thirumalai Duraisamy; Abdessadek Lachgar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7747 - 7751
• a: 12.698 ± 0.005 Å
• b: 6.798 ± 0.003 Å
• c: 17.145 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1480 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 228 ± 2 K
• Number of distinct elements: 4
• 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: 0.0764
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No