Information card for entry 7718544

Structure parameters

• Formula: Ga1.479 In0.521 Se3
• Calculated formula: Ga1.479 In0.521 Se3
• Title of publication: Unveiling the unique site preference of Ga in the defect wurtzite type In₂Se₃-Ga₂Se₃ system: an experimental and computational study.
• Authors of publication: Sethi, Siddha Sankalpa; Lakshan, Achintya; Roy, Ahin; Das, Siddhartha; Das, Karabi; Jana, Partha Pratim
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 21
• Pages of publication: 8673 - 8682
• a: 6.8315 ± 0.0003 Å
• b: 6.8315 ± 0.0003 Å
• c: 19.3223 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 780.95 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for significantly intense reflections: 1.39
• Goodness-of-fit parameter for all reflections included in the refinement: 1.33
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No