Information card for entry 2005100

Structure parameters

• Common name: Lanthanum barium copper oxide
• Formula: Ba1.5 Cu3 La1.5 O6.66
• Calculated formula: Ba1.5 Cu3 La1.5 O6.64
• Title of publication: Refinement of La~1.5~Ba~1.5~Cu~3~O~7{-~<i>x</i>} from a Twinned Crystal
• Authors of publication: Hjorth, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1599 - 1601
• a: 3.911 ± 0.002 Å
• b: 3.911 ± 0.002 Å
• c: 11.734 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 179.48 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 123
• Hermann-Mauguin space group symbol: P 4/m m m
• Hall space group symbol: -P 4 2
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for all reflections: 0.1135
• Weighted residual factors for significantly intense reflections: 0.0748
• Goodness-of-fit parameter for all reflections: 1.067
• Goodness-of-fit parameter for significantly intense reflections: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No