Information card for entry 7058490

Structure parameters

• Formula: Bi Na2 Sb Se4
• Calculated formula: Bi1.0004 Na2 Sb1.0004 Se4
• Title of publication: Ultra-low thermal conductivity in Na/Sb chalcobismuthates: synthesis, crystal structures, optical properties and 23Na NMR spectroscopy
• Authors of publication: Alahmari, Fatimah; Dey, Somnath; Emwas, Abdul-Hamid; Davaasuren, Bambar; Rothenberger, Alexander
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 27
• Pages of publication: 10814
• a: 5.9648 ± 0.0009 Å
• b: 5.9648 ± 0.0009 Å
• c: 5.9648 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 212.22 ± 0.06 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0144
• Weighted residual factors for significantly intense reflections: 0.0207
• Weighted residual factors for all reflections included in the refinement: 0.023
• Goodness-of-fit parameter for significantly intense reflections: 2.23
• Goodness-of-fit parameter for all reflections included in the refinement: 1.86
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No