Information card for entry 2105795

Structure parameters

• Formula: Al0.06 Ba2 Ca0.06 Cu2.94 O6.81 Y0.94
• Calculated formula: Al0.06 Ba2 Ca0.06 Cu2.943 O6.81 Y0.935
• Title of publication: X-ray crystal structures of Al-doped (Y,Ca)Ba~2~Cu~3~O~7{-~<i>y</i>} whiskers
• Authors of publication: Bertolotti, Federica; Calore, Leandro; Gervasio, Giuliana; Agostino, Angelo; Truccato, Marco; Operti, Lorenza
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: 236 - 242
• a: 3.838 ± 0.0002 Å
• b: 3.8735 ± 0.0002 Å
• c: 11.6947 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 173.859 ± 0.015 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 47
• Hermann-Mauguin space group symbol: P m m m
• Hall space group symbol: -P 2 2
• Residual factor for all reflections: 0.0189
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.0505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes