Information card for entry 7719441

Structure parameters

• Formula: I15 Li3 Nb7 O5
• Calculated formula: I15 Li3 Nb7 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: 14.5783 ± 0.0003 Å
• b: 17.6445 ± 0.0003 Å
• c: 13.5823 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3493.73 ± 0.11 ų
• Cell temperature: 230 ± 0.11 K
• Ambient diffraction temperature: 230 ± 0.11 K
• Number of distinct elements: 4
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0221
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No