Information card for entry 7718547

Structure parameters

• Formula: Ga1.285 In0.715 Se3
• Calculated formula: Ga1.25 In0.75 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: 6.9173 ± 0.0003 Å
• b: 6.9173 ± 0.0003 Å
• c: 19.039 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 788.95 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for significantly intense reflections: 2.47
• Goodness-of-fit parameter for all reflections included in the refinement: 2.41
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No