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Information card for entry 2108991
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| Coordinates | 2108991.cif |
|---|---|
| Structure factors | 2108991.hkl |
| Original IUCr paper | HTML |
| Common name | Samarium bismuth iron borate |
|---|---|
| Chemical name | Samarium bismuth triiron tetrakis(borate) |
| Formula | B4 Bi0.07 Fe3 O12 Sm0.93 |
| Calculated formula | B4 Bi0.07 Fe3 O12 Sm0.93 |
| Title of publication | Crystal structure, absolute configuration and characteristic temperatures of SmFe~3~(BO~3~)~4~ in the temperature range 11–400K |
| Authors of publication | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Yapaskurt, Vasily O.; Lyubutina, Marianna V.; Frolov, Kirill V.; Lyubutin, Igor S.; Gudim, Irina A. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 3 Part 2 |
| a | 9.5642 ± 0.0001 Å |
| b | 9.5642 ± 0.0001 Å |
| c | 7.5883 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 601.136 ± 0.012 Å3 |
| Cell temperature | 293 ± 0.11 K |
| Ambient diffraction temperature | 293 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 | 0.0122 |
| Residual factor for significantly intense reflections | 0.0122 |
| Weighted residual factors for significantly intense reflections | 0.0321 |
| Weighted residual factors for all reflections included in the refinement | 0.0321 |
| 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 |
|---|---|---|---|
| 275740 (current) | 2022-06-02 | cif/ hkl/ Adding structures of 2108989, 2108990, 2108991, 2108992, 2108993 via cif-deposit CGI script. |
2108991.cif 2108991.hkl |
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Users of the data should acknowledge the original authors of the
structural data.