Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1532777
Preview
| Coordinates | 1532777.cif |
|---|
| Chemical name | Na8 (Ti2 Nb8 O28) (H2 O)34 |
|---|---|
| Formula | H68 Na8 Nb8 O62 Ti2 |
| Calculated formula | Na8 Nb8 O62 Ti2 |
| SMILES | [O]12345[Nb]678(O[Nb]9%103(=O)O[Ti]3%11%125[O]5[Nb]1([O]1[Nb]%13%145([O]5%15%163[Nb]3(O[Nb]%17%15(=O)(O[Ti]41%16([O]1[Nb]5([O]%11[Nb]21(O7)(=O)O%10)(O3)(O%17)=O)O8)O%14)(O%13)(=O)O%12)=O)(O6)(O9)=O)=O.[Na+].O.O.O.[Na+].O.O.[Na+].O.O.O.O.[Na+].O.O.[Na+].O.O.O.O.O.O.[Na+].O.O.O.[Na+].O.O.O.O.O.O.[Na+].O.O.O.O.O.O.O.O |
| Title of publication | Synthesis, structure and molecular modeling of a titanoniobate isopolyanion |
| Authors of publication | Nyman, M.; Bonhomme, F.; Criscenti, L.J.; Rodriguez, M.A.; Cygan, R.T. |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2003 |
| Journal volume | 176 |
| Pages of publication | 111 - 119 |
| a | 11.829 Å |
| b | 12.205 Å |
| c | 12.532 Å |
| α | 97.666° |
| β | 113.84° |
| γ | 110.809° |
| Cell volume | 1463.54 Å3 |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 158763 (current) | 2015-09-28 | cif/ Adding structures of 1532777 via cif-deposit CGI script. |
1532777.cif |
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.