Information card for entry 1512557

Structure parameters

• Formula: Al2.5 B0.5 O4.5
• Calculated formula: Al2.5 B0.5 O4.5
• Title of publication: Single-crystal diffraction at the Extreme Conditions beamline P02.2: procedure for collecting and analyzing high-pressure single-crystal data
• Authors of publication: Rothkirch, André; Gatta, G. Diego; Meyer, Mathias; Merkel, Sébastien; Merlini, Marco; Liermann, Hanns-Peter
• Journal of publication: Journal of Synchrotron Radiation
• Year of publication: 2013
• Journal volume: 20
• Journal issue: 5
• Pages of publication: 711 - 720
• a: 5.5494 ± 0.0015 Å
• b: 14.35 ± 0.006 Å
• c: 7.481 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 595.7 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.26
• Diffraction radiation wavelength: 0.28988 Å
• Diffraction radiation type: X-ray
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No