Information card for entry 4345564

Structure parameters

• Formula: Cu1.646 Li0.354 S4 Sn Zn
• Calculated formula: Cu1.647 Li0.353 S4 Sn Zn
• Title of publication: Substitution of Li for Cu in Cu2ZnSnS4: Toward Wide Band Gap Absorbers with Low Cation Disorder for Thin Film Solar Cells.
• Authors of publication: Lafond, A.; Guillot-Deudon, C; Vidal, J.; Paris, M.; La, C.; Jobic, S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 5
• Pages of publication: 2712 - 2721
• a: 5.455 ± 0.0001 Å
• b: 5.455 ± 0.0001 Å
• c: 10.8253 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 322.129 ± 0.012 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for significantly intense reflections: 1.56
• Goodness-of-fit parameter for all reflections included in the refinement: 1.54
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No