Information card for entry 1560411

Structure parameters

• Formula: Ba5 Cl Cs Se9 Ti2
• Calculated formula: Ba5 Cl Cs Se9 Ti2
• Title of publication: Syntheses, crystal structures, and optical properties of CsBa5Ti2Se9Cl and CsBa2Cl5
• Authors of publication: Mesbah, Adel; Prakash, Jai; Malliakas, Christos D.; Lebègue, Sébastien; Badawi, Michael; Ibers, James A.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 253
• Pages of publication: 258 - 262
• a: 8.7897 ± 0.0002 Å
• b: 8.7897 ± 0.0002 Å
• c: 14.3415 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1108.01 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 140
• Hermann-Mauguin space group symbol: I 4/m c m
• Hall space group symbol: -I 4 2c
• Residual factor for all reflections: 0.0194
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.752
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No