Information card for entry 7719049

Structure parameters

• Formula: Ca2 Cl O3 Tl
• Calculated formula: Ca2 Cl O3 Tl
• Title of publication: Layered anion ordering in oxide chloride Ca₂TlO₃Cl.
• Authors of publication: Bråtalien, Lars Botolv Ekeli; Nilsen, Ola; Saha, Dipankar; Mohn, Chris Erik; Chatzitakis, Athanasios; Valldor, Martin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 31
• Pages of publication: 11887 - 11894
• a: 3.8806 ± 0.0002 Å
• b: 3.8806 ± 0.0002 Å
• c: 18.6168 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 242.79 ± 0.02 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0211
• Residual factor for significantly intense reflections: 0.0163
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for significantly intense reflections: 1.8069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.79
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No