Information card for entry 4319605

Structure parameters

• Formula: Cs4 Se13 Ti3
• Calculated formula: Cs4 Se13 Ti3
• Title of publication: Syntheses and Structures of the Infinite Chain Compounds Cs4Ti3Se13, Rb4Ti3S14, Cs4Ti3S14, Rb4Hf3S14, Rb4Zr3Se14, Cs4Zr3Se14, and Cs4Hf3Se14
• Authors of publication: Fu Qiang Huang; James A. Ibers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2346 - 2351
• a: 10.2524 ± 0.0006 Å
• b: 32.468 ± 0.0018 Å
• c: 14.6747 ± 0.0008 Å
• α: 90°
• β: 100.008 ± 0.0009°
• γ: 90°
• Cell volume: 4810.5 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No