Information card for entry 2108505

Structure parameters

• Formula: B4 Bi0.037 Fe3 Ho0.963 O12
• Calculated formula: B4 Bi0.0373 Fe3 Ho0.9627 O12
• Title of publication: Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K
• Authors of publication: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 6
• a: 9.5301 ± 0.0002 Å
• b: 9.5301 ± 0.0002 Å
• c: 7.5615 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 594.749 ± 0.019 ų
• Cell temperature: 360 ± 0.1 K
• Ambient diffraction temperature: 360 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: 0.0138
• Residual factor for significantly intense reflections: 0.0138
• Weighted residual factors for significantly intense reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.03
• Goodness-of-fit parameter for significantly intense reflections: 1.04
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes