Information card for entry 2004011

Structure parameters

• Chemical name: Tantal(IV)oxiddiiodid
• Formula: I2 O Ta
• Calculated formula: I2 O Ta
• Title of publication: TaOI~2~: Eine zentrosymmetrische Variante der NbOI~2~-Struktur
• Authors of publication: Ruck, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 10
• Pages of publication: 1960 - 1962
• a: 15.305 ± 0.004 Å
• b: 3.8628 ± 0.0004 Å
• c: 7.467 ± 0.002 Å
• α: 90°
• β: 105.34 ± 0.04°
• γ: 90°
• Cell volume: 425.72 ± 0.18 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 3
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.0539
• Goodness-of-fit parameter for all reflections: 1.006
• Goodness-of-fit parameter for significantly intense reflections: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No