Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2021991
Preview
| Coordinates | 2021991.cif |
|---|---|
| Structure factors | 2021991.hkl |
| Original IUCr paper | HTML |
| Common name | Potassium manganese aluminium phosphate hydrate |
|---|---|
| Chemical name | Potassium manganese dialuminium triphosphate dihydrate |
| Formula | Al2 H4 K Mn O14 P3 |
| Calculated formula | Al2 H4 K Mn O14 P3 |
| Title of publication | Novel K/Mn phosphate hydrates, K~2~Mn~3~(H~2~O)~2~[P~2~O~7~]~2~ and KMn(H~2~O)~2~[Al~2~(PO~4~)~3~]: hydrothermal synthesis and crystal chemistry |
| Authors of publication | Kiriukhina, Galina V.; Yakubovich, Olga V.; Shvanskaya, Larisa V.; Kochetkova, Ekaterina M.; Dimitrova, Olga V.; Volkov, Anatoliy S.; Simonov, Sergey V. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 3 |
| a | 13.3117 ± 0.0003 Å |
| b | 10.0949 ± 0.0002 Å |
| c | 8.7261 ± 0.0002 Å |
| α | 90° |
| β | 108.057 ± 0.002° |
| γ | 90° |
| Cell volume | 1114.86 ± 0.04 Å3 |
| Cell temperature | 152 ± 5 K |
| Ambient diffraction temperature | 152 ± 5 K |
| Number of distinct elements | 6 |
| 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 | 0.0161 |
| Residual factor for significantly intense reflections | 0.0156 |
| Weighted residual factors for significantly intense reflections | 0.047 |
| Weighted residual factors for all reflections included in the refinement | 0.0472 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248485 (current) | 2020-02-27 | cif/ hkl/ Adding structures of 2021990, 2021991 via cif-deposit CGI script. |
2021991.cif 2021991.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.