Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2107488
Preview
| Coordinates | 2107488.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | F K2 O6 Sc Si2 |
|---|---|
| Calculated formula | F K2 O6 Sc Si2 |
| Title of publication | Melilite-like modulation and temperature-dependent evolution in the framework structure of K~2~Sc[Si~2~O~6~]F |
| Authors of publication | Hejny, Clivia; Kahlenberg, Volker; Eberhard, Tim; Krüger, Hannes |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 2 |
| Pages of publication | 209 - 222 |
| a | 8.9939 ± 0.0005 Å |
| b | 8.9939 ± 0.0005 Å |
| c | 8.2758 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 669.43 ± 0.08 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 136 |
| Hermann-Mauguin space group symbol | P 42/m n m |
| Hall space group symbol | -P 4n 2n |
| Residual factor for all reflections | 0.0265 |
| Residual factor for significantly intense reflections | 0.0262 |
| Weighted residual factors for significantly intense reflections | 0.038 |
| Weighted residual factors for all reflections included in the refinement | 0.0381 |
| Goodness-of-fit parameter for significantly intense reflections | 3.61 |
| Goodness-of-fit parameter for all reflections included in the refinement | 3.59 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180695 (current) | 2016-04-02 | cif/ Adding structures of 2107486, 2107487, 2107488, 2107489, 2107490, 2107491 via cif-deposit CGI script. |
2107488.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.