Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1519021
Preview
| Coordinates | 1519021.cif |
|---|
| Formula | Ca Na2 O7 P2 |
|---|---|
| Calculated formula | Ca Na2 O7 P2 |
| SMILES | P(=O)([O-])([O-])OP(=O)([O-])[O-].[Na+].[Ca+2].[Na+] |
| Title of publication | Synthesis and crystal structure of Na2CaP2O7 |
| Authors of publication | Bennazha, J.; Boukhari, A.; Holt, E. M. |
| Journal of publication | Solid State Sciences |
| Year of publication | 1999 |
| Journal volume | 1 |
| Pages of publication | 373 - 380 |
| a | 5.361 ± 0.003 Å |
| b | 7.029 ± 0.003 Å |
| c | 8.743 ± 0.004 Å |
| α | 69.4 ± 0.02° |
| β | 89.02 ± 0.03° |
| γ | 88.78 ± 0.04° |
| Cell volume | 308.3 ± 0.3 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.0554 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1519021.cif |
| 135254 | 2015-04-13 | cif/ Adding structures of 1519021 via cif-deposit CGI script. |
1519021.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.