Information card for entry 7115034

Structure parameters

• Formula: Bi9.32 Cs0.68 Se15 Sn0.68
• Calculated formula: Bi9.319 Cs0.681 Se15 Sn0.6798
• Title of publication: Cs1‒xSn1‒xBi9+xSe15 and Cs1.5‒3xBi9.5+xSe15: members of the homologous superseries Am[M1+lSe2+l]2m[M1+2l+nSe3+3l+n] (A = alkali metal, M = Sn and Bi) allowing structural evolution in three different dimensions
• Authors of publication: Mrotzek, Antje; Iordanidis, Lykourgos; Kanatzidis, Mercouri G.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 17
• Pages of publication: 1648
• a: 27.287 ± 0.008 Å
• b: 4.1162 ± 0.0012 Å
• c: 14.004 ± 0.004 Å
• α: 90°
• β: 103.346 ± 0.005°
• γ: 90°
• Cell volume: 1530.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No