Information card for entry 7115033

Structure parameters

• Formula: Bi9.63 Cs1.11 Se15
• Calculated formula: Bi9.63 Cs1.109 Se15
• 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: 27.547 ± 0.009 Å
• b: 4.162 ± 0.0013 Å
• c: 14.132 ± 0.005 Å
• α: 90°
• β: 103.35 ± 0.006°
• γ: 90°
• Cell volume: 1576.5 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0642
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No