Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4003328
Preview
| Coordinates | 4003328.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | B Cl2 K O3 Zn2 |
|---|---|
| Calculated formula | B Cl2 K O3 Zn2 |
| Title of publication | AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures |
| Authors of publication | Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2016 |
| Journal volume | 28 |
| Journal issue | 24 |
| Pages of publication | 9122 |
| a | 4.9624 ± 0.0006 Å |
| b | 4.9624 ± 0.0006 Å |
| c | 26.386 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 562.71 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 155 |
| Hermann-Mauguin space group symbol | R 3 2 :H |
| Hall space group symbol | R 3 2" |
| Residual factor for all reflections | 0.0215 |
| Residual factor for significantly intense reflections | 0.0197 |
| Weighted residual factors for significantly intense reflections | 0.0389 |
| Weighted residual factors for all reflections included in the refinement | 0.0394 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231521 (current) | 2019-11-22 | cif/ Adding structures of 4003328 via cif-deposit CGI script. |
4003328.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.