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Information card for entry 2108691
Preview
| Coordinates | 2108691.cif |
|---|---|
| Structure factors | 2108691.hkl |
| Original paper (by DOI) | HTML |
| Formula | B Bi4 I O7 |
|---|---|
| Calculated formula | B Bi4 I O7 |
| Title of publication | The first bismuth borate oxyiodide, Bi~4~BO~7~I: commensurate or incommensurate? |
| Authors of publication | Volkov, Sergey; Bubnova, Rimma; Krzhizhanovskaya, Maria; Galafutnik, Lydia |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 6 |
| a | 3.959 ± 0.002 Å |
| b | 13.453 ± 0.007 Å |
| c | 3.969 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 211.39 ± 0.19 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 71 |
| Hermann-Mauguin space group symbol | I m m m |
| Hall space group symbol | -I 2 2 |
| Residual factor for all reflections | 0.1082 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.0301 |
| Weighted residual factors for all reflections included in the refinement | 0.041 |
| Goodness-of-fit parameter for significantly intense reflections | 1.39 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| 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 |
|---|---|---|---|
| 259107 (current) | 2020-11-12 | cif/ hkl/ Adding structures of 2108691 via cif-deposit CGI script. |
2108691.cif 2108691.hkl |
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Users of the data should acknowledge the original authors of the
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