Information card for entry 4126030

Structure parameters

• Formula: Bi2.17 Cd1.83 K1.83 S6
• Calculated formula: Bi2.168 Cd1.828 K1.834 S6
• Title of publication: The Two-Dimensional AxCdxBi4-xQ6 (A = K, Rb, Cs; Q = S, Se): Direct Bandgap Semiconductors and Ion-Exchange Materials.
• Authors of publication: Zhao, Jing; Islam, Saiful M.; Kontsevoi, Oleg Y.; Tan, Gangjian; Stoumpos, Constantinos C.; Chen, Haijie; Li, Rukang; Kanatzidis, Mercouri G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 3.9986 ± 0.0008 Å
• b: 6.92 ± 0.0014 Å
• c: 23.184 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 641.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.221
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No