Information card for entry 4313826

Structure parameters

• Formula: I11 S Ta4
• Calculated formula: I11.068 S0.932 Ta4.108
• Title of publication: Synthesis and Structure of Ta4SI11: Disorder and Mixed Valency in the First Tantalum Sulfide Iodide
• Authors of publication: Mark D. Smith; Gordon J. Miller
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 4165 - 4170
• a: 16.135 ± 0.003 Å
• b: 3.813 ± 0.001 Å
• c: 8.131 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 500.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 59
• Hermann-Mauguin space group symbol: P m m n :2
• Hall space group symbol: -P 2ab 2a
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for all reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.0695
• Goodness-of-fit parameter for all reflections: 1.054
• Goodness-of-fit parameter for significantly intense reflections: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No