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Information card for entry 2108738
Preview
| Coordinates | 2108738.cif |
|---|---|
| Structure factors | 2108738.hkl |
| Original paper (by DOI) | HTML |
| Formula | Ag3.02 O12 P3 Sc2 |
|---|---|
| Calculated formula | Ag3.0198 O12 P3 Sc2 |
| Title of publication | Study on the structural phase transitions in NaSICON-type compounds using Ag~3~Sc~2~(PO~4~)~3~ as a model system |
| Authors of publication | Redhammer, Günther J.; Tippelt, Gerold; Stahl, Quirin; Benisek, Artur; Rettenwander, Daniel |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 1 |
| Pages of publication | 10 - 22 |
| a | 8.9671 ± 0.0008 Å |
| b | 8.9671 ± 0.0008 Å |
| c | 22.7622 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1585.1 ± 0.2 Å3 |
| Cell temperature | 520 ± 1 K |
| Ambient diffraction temperature | 520 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Residual factor for all reflections | 0.0523 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.0654 |
| Weighted residual factors for all reflections included in the refinement | 0.0709 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| 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 |
|---|---|---|---|
| 261794 (current) | 2021-02-05 | cif/ Updating files of 2108735, 2108736, 2108737, 2108738 Original log message: Adding full bibliography for 2108735--2108738.cif. |
2108738.cif 2108738.hkl |
| 260506 | 2021-01-05 | cif/ hkl/ Adding structures of 2108735, 2108736, 2108737, 2108738 via cif-deposit CGI script. |
2108738.cif 2108738.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.