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Information card for entry 2312502
Preview
| Coordinates | 2312502.cif |
|---|---|
| Structure factors | 2312502.hkl |
| Original paper (by DOI) | HTML |
| Formula | Cs4 H5 O16 P S3 |
|---|---|
| Calculated formula | Cs4 H5 O16 P S3 |
| Title of publication | Features of the crystal structure and surface of superprotonic conductor caesium hydrogen sulfate phosphate. |
| Authors of publication | Makarova, Irina P.; Isakova, Natalia N.; Kalyukanov, Andrey I.; Gainutdinov, Radmir V.; Tolstikhina, Alla L.; Komornikov, Vladimir A. |
| Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 3 |
| a | 19.95 ± 0.03 Å |
| b | 7.856 ± 0.009 Å |
| c | 8.98 ± 0.01 Å |
| α | 90° |
| β | 100.12 ± 0.02° |
| γ | 90° |
| Cell volume | 1386 ± 3 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1119 |
| Residual factor for significantly intense reflections | 0.1119 |
| Weighted residual factors for significantly intense reflections | 0.1336 |
| Weighted residual factors for all reflections included in the refinement | 0.1336 |
| Goodness-of-fit parameter for significantly intense reflections | 3.54 |
| Goodness-of-fit parameter for all reflections included in the refinement | 3.54 |
| Diffraction radiation probe | neutron |
| Diffraction radiation wavelength | 1.06 Å |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291876 (current) | 2024-05-16 | cif/ hkl/ Adding structures of 2312502 via cif-deposit CGI script. |
2312502.cif 2312502.hkl |
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