Information card for entry 1566060

Structure parameters

• Formula: Bi2.02 Cd0.98 S4
• Calculated formula: Bi2.0235 Cd0.9765 S4
• Title of publication: Experimental and theoretical study of crystal structure and bandgap of CdBi2S4
• Authors of publication: Matyszczak, Grzegorz; Sutuła, Szymon; Krawczyk, Krzysztof; Woźniak, Krzysztof
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2022
• Journal volume: 305
• Pages of publication: 122695
• a: 13.12051 ± 0.00019 Å
• b: 3.98623 ± 0.00004 Å
• c: 14.6231 ± 0.0002 Å
• α: 90°
• β: 116.278 ± 0.0018°
• γ: 90°
• Cell volume: 685.769 ± 0.019 ų
• Cell temperature: 296.2 ± 0.5 K
• Ambient diffraction temperature: 296.2 ± 0.5 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: 0.03
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No