Information card for entry 2108224

Structure parameters

• Formula: B4 Bi0.051 Fe3 O12 Y0.949
• Calculated formula: B4 Bi0.0509 Fe3 O12 Y0.9491
• Title of publication: Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K
• Authors of publication: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 2
• a: 9.5265 ± 0.0001 Å
• b: 9.5265 ± 0.0001 Å
• c: 7.5561 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 593.875 ± 0.012 ų
• Cell temperature: 380 K
• Ambient diffraction temperature: 380 K
• Number of distinct elements: 5
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.0201
• Residual factor for significantly intense reflections: 0.0173
• Weighted residual factors for significantly intense reflections: 0.0118
• Weighted residual factors for all reflections included in the refinement: 0.012
• Goodness-of-fit parameter for significantly intense reflections: 0.95
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes