Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4342327
Preview
| Coordinates | 4342327.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | Al Ca3 Na3 Sb4 |
|---|---|
| Calculated formula | Al Ca3 Na3 Sb4 |
| SMILES | [Al]([Sb])([Sb])([Sb])[Sb].[Ca+2].[Ca+2].[Ca+2].[Na+].[Na+].[Na+] |
| Title of publication | Quaternary Pnictides with Complex, Noncentrosymmetric Structures. Synthesis and Structural Characterization of the New Zintl Phases Na11Ca2Al3Sb8, Na4CaGaSb3, and Na15Ca3In5Sb12. |
| Authors of publication | Wang, Yi; Stoyko, Stanislav; Bobev, Svilen |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 4 |
| Pages of publication | 1931 - 1939 |
| a | 10.0121 ± 0.0005 Å |
| b | 10.0121 ± 0.0005 Å |
| c | 7.6045 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 660.16 ± 0.08 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 186 |
| Hermann-Mauguin space group symbol | P 63 m c |
| Hall space group symbol | P 6c -2c |
| Residual factor for all reflections | 0.0419 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0547 |
| Weighted residual factors for all reflections included in the refinement | 0.0572 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.953 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4342327.cif |
| 179526 | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/23. |
4342327.cif |
| 132800 | 2015-03-04 | cif/ Updating files of 4342324, 4342325, 4342326, 4342327 Original log message: Adding full bibliography for 4342324--4342327.cif. |
4342327.cif |
| 131147 | 2015-02-05 | cif/ Adding structures of 4342327 via cif-deposit CGI script. |
4342327.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.