Information card for entry 2021892

Structure parameters

• Formula: B2 O5 Sr2
• Calculated formula: B2 O5 Sr2
• Title of publication: Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases
• Authors of publication: Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav
• Journal of publication: Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 6
• Pages of publication: 1056
• a: 3.9001 ± 0.0011 Å
• b: 5.3685 ± 0.0007 Å
• c: 11.8671 ± 0.0016 Å
• α: 89.994 ± 0.011°
• β: 92.008 ± 0.011°
• γ: 90.038 ± 0.011°
• Cell volume: 248.32 ± 0.08 ų
• Cell temperature: 583 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1317
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for significantly intense reflections: 1.26
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No