Information card for entry 4000814

Structure parameters

• Formula: Al0.06 In1.94 S3
• Calculated formula: Al0.06 In1.94 S3
• Title of publication: Crystal Chemistry and Electronic Structure of the Photovoltaic Buffer Layer, (In1-xAlx)2S3
• Authors of publication: Lafond, A.; Rocquefelte, X.; Paris, M.; Guillot-Deudon, C.; Jouenne, V.
• Journal of publication: Chemistry of Materials
• Year of publication: 2011
• Journal volume: 23
• Journal issue: 23
• Pages of publication: 5168
• a: 7.6038 ± 0.0005 Å
• b: 7.6038 ± 0.0005 Å
• c: 32.26 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1865.2 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 141
• Hermann-Mauguin space group symbol: I 41/a m d :2
• Hall space group symbol: -I 4bd 2
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for significantly intense reflections: 1.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No