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Information card for entry 2021893
Preview
| Coordinates | 2021893.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | B2 O5 Sr2 |
|---|---|
| Calculated formula | B2 O5 Sr2 |
| Title of publication | Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases |
| Authors of publication | Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav |
| Journal of publication | Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 6 |
| Pages of publication | 1056 |
| a | 3.9125 Å |
| b | 5.3699 Å |
| c | 11.8732 Å |
| α | 90° |
| β | 91.849° |
| γ | 90° |
| Cell volume | 249.323 Å3 |
| Cell temperature | 668 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0443 |
| Residual factor for significantly intense reflections | 0.0299 |
| Weighted residual factors for significantly intense reflections | 0.0306 |
| Weighted residual factors for all reflections included in the refinement | 0.0355 |
| Goodness-of-fit parameter for significantly intense reflections | 1.22 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.25 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246113 (current) | 2019-12-26 | cif/ Adding structures of 2021889, 2021890, 2021891, 2021892, 2021893 via cif-deposit CGI script. |
2021893.cif |
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Users of the data should acknowledge the original authors of the
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