Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7228407
Preview
| Coordinates | 7228407.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ba Cu2 Se4 Si |
|---|---|
| Calculated formula | Ba Cu2 Se4 Si |
| Title of publication | BaCu2MIVQ4 (MIV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations |
| Authors of publication | Nian, Leyan; Huang, Junben; Wu, Kui; Su, Zhi; Yang, Zhihua; Pan, Shilie |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 47 |
| Pages of publication | 29378 |
| a | 6.4188 ± 0.0019 Å |
| b | 6.4188 ± 0.0019 Å |
| c | 16.083 ± 0.01 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 573.9 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 154 |
| Hermann-Mauguin space group symbol | P 32 2 1 |
| Hall space group symbol | P 32 2" |
| Residual factor for all reflections | 0.031 |
| Residual factor for significantly intense reflections | 0.0264 |
| Weighted residual factors for significantly intense reflections | 0.0437 |
| Weighted residual factors for all reflections included in the refinement | 0.0449 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197598 (current) | 2017-06-07 | cif/ Adding structures of 7228407, 7228408, 7228409, 7228410, 7228411 via cif-deposit CGI script. |
7228407.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.