Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1551105
Preview
| Coordinates | 1551105.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | D0.25 K1.25 O4 S |
|---|---|
| Calculated formula | D K1.5 O4 S |
| Title of publication | Neutron scattering studies of K3H(SO4)2 and K3D(SO4)2 : Infinite square-wells and quantum phase transition |
| Authors of publication | Francois Fillaux; Alain Cousson |
| Journal of publication | Journal of Chemical Physics |
| Year of publication | 2012 |
| Journal volume | 137 |
| Pages of publication | 074504 |
| a | 9.777 ± 0.001 Å |
| b | 5.674 ± 0.001 Å |
| c | 14.667 ± 0.001 Å |
| α | 90° |
| β | 102.97 ± 0.01° |
| γ | 90° |
| Cell volume | 792.89 ± 0.17 Å3 |
| Cell temperature | 14 K |
| Ambient diffraction temperature | 14 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | A 1 2/a 1 |
| Hall space group symbol | -A 2ya |
| Residual factor for all reflections | 0.0726 |
| Residual factor for significantly intense reflections | 0.0517 |
| Weighted residual factors for all reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.0342 |
| Weighted residual factors for all reflections included in the refinement | 0.0333 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0907 |
| Diffraction radiation wavelength | 0.8308 Å |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215441 (current) | 2019-05-23 | cif/ Adding structures of 1551105 via cif-deposit CGI script. |
1551105.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.