Information card for entry 4319607

Structure parameters

• Formula: Cs4 S14 Ti3
• Calculated formula: Cs4 S14 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: 21.329 ± 0.003 Å
• b: 8.4146 ± 0.001 Å
• c: 13.6778 ± 0.0016 Å
• α: 90°
• β: 113.801 ± 0.002°
• γ: 90°
• Cell volume: 2246 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0252
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No