Information card for entry 7719442

Structure parameters

• Formula: I22.37 Nb9 O5
• Calculated formula: I22.383 Nb9 O5
• Title of publication: Niobium oxyiodide cluster compounds Li₃Nb₇O₅I₁₅ and Nb₈O₅I₁₇(NbI₅) with expanding cluster architectures and multicentre Nb-Nb bonding.
• Authors of publication: Beitlberger, Jan; Ströbele, Markus; Schmidt, Patrick; Romao, Carl P.; Meyer, H-Jürgen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 38
• Pages of publication: 14376 - 14383
• a: 11.4282 ± 0.0004 Å
• b: 13.4336 ± 0.0006 Å
• c: 31.5794 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4848.1 ± 0.3 ų
• Cell temperature: 200 ± 0.3 K
• Ambient diffraction temperature: 200 ± 0.3 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: 0.0366
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No