Information card for entry 4318039

Structure parameters

• Common name: K6TlNbAs4
• Formula: As4 K6 Nb Tl
• Calculated formula: As4 K6 Nb Tl
• SMILES: [K+].[K+].[K+].[Tl+].[As][Nb]([As])([As])[As].[K+].[K+].[K+]
• Title of publication: Niobium-Arsenic Zintl Phases: A6NbAs5 (A = K, Rb, Cs), K6NbTlAs4, and K8NbPbAs5 with Edge-Bridged Niobium-Centered Tetrahedra of Arsenic, [NbAs4M]n- Where M = As, Tl, Pb
• Authors of publication: Franck Gascoin; Slavi C. Sevov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2820 - 2825
• a: 18.786 ± 0.001 Å
• b: 10.4442 ± 0.0004 Å
• c: 7.715 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1513.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0479
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No