Information card for entry 4341282

Structure parameters

• Common name: BaTh2S5
• Formula: Ba S5 Th2
• Calculated formula: Ba S5 Th2
• Title of publication: Syntheses, Crystal Structures, Transport Properties, and Theoretical Studies of Five Members of the MAn2Q5 Family: SrU2S5, BaU2Se5, PbU2S5, BaTh2S5, and BaU2Te5.
• Authors of publication: Prakash, Jai; Tarasenko, Mariya S.; Mesbah, Adel; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 21
• Pages of publication: 11626 - 11632
• a: 8.61 ± 0.0017 Å
• b: 7.62 ± 0.0015 Å
• c: 12.06 ± 0.002 Å
• α: 90°
• β: 90.34 ± 0.03°
• γ: 90°
• Cell volume: 791.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No