Information card for entry 2108221

Structure parameters

• Formula: B4 Bi0.05 Fe3 O12 Y0.95
• Calculated formula: B4 Bi0.0499 Fe3 O12 Y0.9501
• 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: 9.5259 ± 0.0001 Å
• b: 9.5259 ± 0.0001 Å
• c: 7.5624 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 594.295 ± 0.012 ų
• Cell temperature: 365 K
• Ambient diffraction temperature: 365 K
• Number of distinct elements: 5
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0124
• Weighted residual factors for all reflections included in the refinement: 0.0146
• Goodness-of-fit parameter for significantly intense reflections: 0.96
• Goodness-of-fit parameter for all reflections included in the refinement: 0.68
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes