Information card for entry 4319304

Structure parameters

• Formula: Ba Cs4 Se27 Ti6
• Calculated formula: Ba Cs4 Se27 Ti6
• Title of publication: Polar Titanium Polychalcogenides: Syntheses and Characterization of Cs6Ti6S27, Cs4BaTi6Se27, Rb5AgTi6Se27, and Cs5AgTi6Se27
• Authors of publication: Fu Qiang Huang; James A. Ibers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 865 - 869
• a: 13.8039 ± 0.0016 Å
• b: 13.8039 ± 0.0016 Å
• c: 20.85 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3440.6 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No