Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1561911
Preview
| Coordinates | 1561911.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ba2 Cl K S4 Sn |
|---|---|
| Calculated formula | Ba2.01 Cl K0.99 S4 Sn |
| Title of publication | Four new chalcohalides, NaBa2SnS4Cl, KBa2SnS4Cl, KBa2SnS4Br and CsBa2SnS4Cl: Syntheses, crystal structures and optical properties |
| Authors of publication | Li, Chao; Feng, Kai; Tu, Heng; Yao, Jiyong; Wu, Yicheng |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2015 |
| Journal volume | 227 |
| Pages of publication | 104 - 109 |
| a | 8.3552 ± 0.0007 Å |
| b | 8.3552 ± 0.0007 Å |
| c | 14.454 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1009.02 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 140 |
| Hermann-Mauguin space group symbol | I 4/m c m |
| Hall space group symbol | -I 4 2c |
| Residual factor for all reflections | 0.0251 |
| Residual factor for significantly intense reflections | 0.0236 |
| Weighted residual factors for significantly intense reflections | 0.0581 |
| Weighted residual factors for all reflections included in the refinement | 0.0594 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.303 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264303 (current) | 2021-04-19 | cif/ Adding structures of 1561910, 1561911, 1561912, 1561913 via cif-deposit CGI script. |
1561911.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.