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Information card for entry 2108505
Preview
| Coordinates | 2108505.cif |
|---|---|
| Structure factors | 2108505.hkl |
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220587 (current) | 2019-10-31 | cif/ hkl/ Adding structures of 2108502, 2108503, 2108504, 2108505, 2108506, 2108507, 2108508, 2108509, 2108510 via cif-deposit CGI script. |
2108505.cif 2108505.hkl |
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Users of the data should acknowledge the original authors of the
structural data.