Information card for entry 4320563

Structure parameters

• Formula: Bi11.3 K0.7 Se20 Sn2.7
• Calculated formula: Bi11.3 K0.696 Se20 Sn2.7
• 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: 16.1389 ± 0.0019 Å
• b: 4.147 ± 0.0005 Å
• c: 17.009 ± 0.002 Å
• α: 90°
• β: 116.881 ± 0.002°
• γ: 90°
• Cell volume: 1015.4 ± 0.2 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: 0.0461
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No