Information card for entry 4310101

Structure parameters

• Common name: tin copper arsenide iodide
• Formula: As22 Cu4.7 I8 Sn19.3
• Calculated formula: As22 Cu4.8 I8 Sn19.272
• Title of publication: Sn19.3Cu4.7As22I8: a New Clathrate-I Compound with Transition-Metal Atoms in the Cationic Framework
• Authors of publication: Kirill A. Kovnir; Alexei V. Sobolev; Igor A. Presniakov; Oleg I. Lebedev; Gustaaf Van Tendeloo; Walter Schnelle; Yuri Grin; Andrei V. Shevelkov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8786 - 8793
• a: 11.172 ± 0.001 Å
• b: 11.172 ± 0.001 Å
• c: 11.172 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1394.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 223
• Hermann-Mauguin space group symbol: P m -3 n
• Hall space group symbol: -P 4n 2 3
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.296
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No