Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2108222
Preview
| Coordinates | 2108222.cif |
|---|---|
| Structure factors | 2108222.hkl |
| Original paper (by DOI) | HTML |
| Formula | B4 Bi0.053 Fe3 O12 Y0.947 |
|---|---|
| Calculated formula | B4 Bi0.0534 Fe3 O12 Y0.9466 |
| 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 | 9.5245 ± 0.0001 Å |
| b | 9.5245 ± 0.0001 Å |
| c | 7.557 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 593.696 ± 0.012 Å3 |
| Cell temperature | 370 K |
| Ambient diffraction temperature | 370 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 | 0.072 |
| Residual factor for significantly intense reflections | 0.0174 |
| Weighted residual factors for significantly intense reflections | 0.0123 |
| Weighted residual factors for all reflections included in the refinement | 0.0136 |
| Goodness-of-fit parameter for significantly intense reflections | 0.98 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.61 |
| 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 |
|---|---|---|---|
| 211196 (current) | 2018-09-27 | cod/ Removing the _chemical_name_common and _chemical_name_systematic data items that contained the summary chemical formula instead of the chemical name from 6249 entries. |
2108222.cif 2108222.hkl |
| 207151 | 2018-03-28 | cif/ hkl/ Adding structures of 2108217, 2108218, 2108219, 2108220, 2108221, 2108222, 2108223, 2108224, 2108225, 2108226, 2108227, 2108228, 2108229, 2108230 via cif-deposit CGI script. |
2108222.cif 2108222.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.