Information card for entry 4000813

Structure parameters

• Formula: In2 S3
• Calculated formula: In2 S3
• SMILES: [In+3].[In+3].[S-2].[S-2].[S-2]
• 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: 7.6205 ± 0.0002 Å
• b: 7.6205 ± 0.0002 Å
• c: 32.3603 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1879.23 ± 0.08 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 2
• 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: 0.0325
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for significantly intense reflections: 1.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No