Information card for entry 7719756

Structure parameters

• Formula: I4 O3 Ta2
• Calculated formula: I4 O3 Ta2
• Title of publication: Structural modifications of <i>M</i>₅O₄I₁₁ (<i>M</i> = Nb, Ta) cluster networks from heterogeneous solid-state reactions.
• Authors of publication: Grahlow, Fabian; Beitlberger, Jan; Martin, Mario; Juriatti, Eric; Peisert, Heiko; Scheele, Marcus; Ströbele, Markus; Romao, Carl P.; Meyer, Hans-Jürgen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 44
• Pages of publication: 16593 - 16604
• a: 9.5615 ± 0.0005 Å
• b: 7.3646 ± 0.0003 Å
• c: 7.6241 ± 0.0004 Å
• α: 90°
• β: 108.604 ± 0.005°
• γ: 90°
• Cell volume: 508.81 ± 0.05 ų
• Cell temperature: 150 ± 0.11 K
• Ambient diffraction temperature: 150 ± 0.11 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No