Information card for entry 4320565

Structure parameters

• Formula: Bi11.54 Cs0.46 Se20 Sn2.46
• Calculated formula: Bi11.5404 Cs0.46 Se20 Sn2.4602
• Title of publication: New Members of the Homologous Series Am[M6Se8]m[M5+nSe9+n]: The Quaternary Phases A1-xM'3-xBi11+xSe20 and A1+xM'3-2xBi7+xSe14 (A = K, Rb, Cs; M' = Sn, Pb)
• Authors of publication: Antje Mrotzek; Lykourgos Iordanidis; Mercouri G. Kanatzidis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6204 - 6211
• a: 16.1 ± 0.003 Å
• b: 4.136 ± 0.0008 Å
• c: 17.077 ± 0.003 Å
• α: 90°
• β: 116.79 ± 0.03°
• γ: 90°
• Cell volume: 1015.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No