Information card for entry 1563487

Structure parameters

• Formula: Cu0.6 Ga0.567 In0.567 Se2
• Calculated formula: Cu0.5995 Ga0.5667 In0.5667 Se2
• Title of publication: Structural investigation of the Cu2Se‒In2Se3‒Ga2Se3 phase diagram, X-ray photoemission and optical properties of the Cu1−z(In0.5Ga0.5)1+z/3Se2 compounds
• Authors of publication: Souilah, M.; Lafond, A.; Guillot-Deudon, C.; Harel, S.; Evain, M.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2010
• Journal volume: 183
• Journal issue: 10
• Pages of publication: 2274 - 2280
• a: 5.666 ± 0.0005 Å
• b: 5.666 ± 0.0005 Å
• c: 11.2725 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 361.89 ± 0.05 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 121
• Hermann-Mauguin space group symbol: I -4 2 m
• Hall space group symbol: I -4 2
• Residual factor for all reflections: 0.1485
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for significantly intense reflections: 1.71
• Goodness-of-fit parameter for all reflections included in the refinement: 1.45
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No