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Information card for entry 7711030
Preview
| Coordinates | 7711030.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | B2 O5 Th |
|---|---|
| Calculated formula | B2 O5 Th |
| Title of publication | Understanding the role of flux, pressure and temperature on polymorphism in ThB2O5 |
| Authors of publication | Hao, Yucheng; Murphy, Gabriel L.; Kegler, Philip; Li, Yan; Kowalski, Piotr M.; Blouin, Simon; Zhang, Yang; Wang, Shuao; Robben, Lars; Gesing, Thorsten M.; Alekseev, Evgeny V. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 4.2535 ± 0.0002 Å |
| b | 6.8733 ± 0.0003 Å |
| c | 6.3242 ± 0.0003 Å |
| α | 90° |
| β | 106.316 ± 0.005° |
| γ | 90° |
| Cell volume | 177.446 ± 0.015 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0291 |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.0517 |
| Weighted residual factors for all reflections included in the refinement | 0.0546 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277331 (current) | 2022-08-20 | cif/ Adding structures of 7711030 via cif-deposit CGI script. |
7711030.cif |
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Users of the data should acknowledge the original authors of the
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