Information card for entry 2108449

Structure parameters

• Formula: B9 Ba6 Lu5 O27
• Calculated formula: B9 Ba6 Lu5 O27
• Title of publication: The novel borate Lu~5~Ba~6~B~9~O~27~ with a new structure type: synthesis, disordered crystal structure and negative linear thermal expansion
• Authors of publication: Filatov, Stanislav K.; Biryukov, Yaroslav P.; Bubnova, Rimma S.; Shablinskii, Andrey P.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 4
• a: 13.0927 ± 0.0003 Å
• b: 9.997 ± 0.0002 Å
• c: 20.4884 ± 0.0004 Å
• α: 90°
• β: 106.827 ± 0.001°
• γ: 90°
• Cell volume: 2566.86 ± 0.09 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0271
• Weighted residual factors for all reflections included in the refinement: 0.0301
• Goodness-of-fit parameter for significantly intense reflections: 1.26
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes