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Information card for entry 2300698
Preview
| Coordinates | 2300698.cif |
|---|---|
| Structure factors | 2300698.hkl |
| Original paper (by DOI) | HTML |
| Formula | B Bi4 Cl O7 |
|---|---|
| Calculated formula | B Bi4 Cl O7 |
| Title of publication | When the difference between incommensurate and commensurate structures becomes elusive: the case of Bi4BO7 X (X = Cl, Br) oxyhalides |
| Authors of publication | Volkov, Sergey; Arsent'ev, Maxim; Ugolkov, Valery; Povolotskiy, Alexey; Savchenko, Yevgeny; Krzhizhanovskaya, Maria; Bubnova, Rimma; Aksenov, Sergey |
| Journal of publication | Journal of Applied Crystallography |
| Year of publication | 2023 |
| Journal volume | 56 |
| Journal issue | 3 |
| Pages of publication | 589 - 596 |
| a | 3.9277 ± 0.0001 Å |
| b | 13.0981 ± 0.0005 Å |
| c | 3.8808 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 199.649 ± 0.011 Å3 |
| Cell temperature | 296.9 ± 0.7 K |
| Ambient diffraction temperature | 296.9 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 | 0.0848 |
| Residual factor for significantly intense reflections | 0.0664 |
| Weighted residual factors for significantly intense reflections | 0.088 |
| Weighted residual factors for all reflections included in the refinement | 0.0901 |
| Goodness-of-fit parameter for significantly intense reflections | 4.96 |
| Goodness-of-fit parameter for all reflections included in the refinement | 4.08 |
| 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 |
|---|---|---|---|
| 284391 (current) | 2023-06-06 | cif/ Updating files of 2300698, 2300699 Original log message: Adding full bibliography for 2300698--2300699.cif. |
2300698.cif 2300698.hkl |
| 282630 | 2023-04-14 | cif/ hkl/ Adding structures of 2300698, 2300699 via cif-deposit CGI script. |
2300698.cif 2300698.hkl |
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Users of the data should acknowledge the original authors of the
structural data.