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Information card for entry 2108554
Preview
| Coordinates | 2108554.cif |
|---|---|
| Structure factors | 2108554.hkl |
| Original paper (by DOI) | HTML |
| Common name | Caesium manganese borophosphate hydrate |
|---|---|
| Chemical name | Caesium Diaquamanganese (II,III) Borodiphosphate Hydrate |
| Formula | B Cs0.51 H4.9 Mn1.17 O10.45 P2 |
| Calculated formula | B Cs0.516 H4 Mn1.166 O10.45 P2 |
| Title of publication | Chain caesium borophosphates with B:P ratio 1:2: synthesis, structure relationships and low-temperature thermodynamic properties |
| Authors of publication | Shvanskaya, Larisa; Yakubovich, Olga; Krikunova, Polina; Ovchenkov, Evgeny; Vasiliev, Alexander |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 6 |
| a | 9.6292 ± 0.0003 Å |
| b | 9.6292 ± 0.0003 Å |
| c | 15.8051 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1269.14 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 178 |
| Hermann-Mauguin space group symbol | P 61 2 2 |
| Hall space group symbol | P 61 2 (0 0 5) |
| Residual factor for all reflections | 0.0699 |
| Residual factor for significantly intense reflections | 0.0614 |
| Weighted residual factors for significantly intense reflections | 0.096 |
| Weighted residual factors for all reflections included in the refinement | 0.0987 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.264 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232449 (current) | 2019-11-23 | cif/ hkl/ Adding structures of 2108553, 2108554, 2108555 via cif-deposit CGI script. |
2108554.cif 2108554.hkl |
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Users of the data should acknowledge the original authors of the
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