Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2238659
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 2238659.cif |
---|---|
Original IUCr paper | HTML |
Common name | Tamarugite |
---|---|
Chemical name | Sodium aluminium bis(sulfate) hexahydrate |
Formula | Al H12 Na O14 S2 |
Calculated formula | Al H12 Na O14 S2 |
SMILES | [Na+].[O-]S(=O)(=O)[O-].[Al]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].S(=O)(=O)([O-])[O-] |
Title of publication | Redetermination of tamarugite, NaAl(SO~4~)~2~·6H~2~O |
Authors of publication | Mereiter, Kurt |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2013 |
Journal volume | 69 |
Journal issue | 10 |
Pages of publication | i63 - i64 |
a | 7.3847 ± 0.0003 Å |
b | 25.2814 ± 0.0015 Å |
c | 6.1097 ± 0.0003 Å |
α | 90° |
β | 94.85 ± 0.02° |
γ | 90° |
Cell volume | 1136.57 ± 0.1 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for all reflections | 0.0339 |
Residual factor for significantly intense reflections | 0.025 |
Weighted residual factors for significantly intense reflections | 0.0582 |
Weighted residual factors for all reflections included in the refinement | 0.0612 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2238659.html
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.