Information card for entry 4115472

Structure parameters

• Common name: clathrate-III
• Formula: Cs3.75 Na0.31 Sn20.33
• Calculated formula: Cs3.75 Na0.305 Sn20.33
• Title of publication: Clathrate III of Group 14 Exists After All
• Authors of publication: Svilen Bobev; Slavi C. Sevov
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 3389 - 3390
• a: 23.5389 ± 0.0009 Å
• b: 23.5389 ± 0.0009 Å
• c: 12.1031 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6706.1 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 136
• Hermann-Mauguin space group symbol: P 42/m n m
• Hall space group symbol: -P 4n 2n
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.304
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No