Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4002674
Preview
| Coordinates | 4002674.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | B5 Be2 F O12 Sr3 |
|---|---|
| Calculated formula | B4.68 Be2.32 F1.32 O11.68 Sr3 |
| Title of publication | A Deep-Ultraviolet Nonlinear Optical Crystal: Strontium Beryllium Borate Fluoride with Planar Be(O/F)3Groups |
| Authors of publication | Yu, Na; Wang, Shichao; Ye, Ning; Liang, Fei; Lin, Zheshuai; Luo, Min; Poeppelmeier, Kenneth R. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2016 |
| Journal volume | 28 |
| Journal issue | 13 |
| Pages of publication | 4563 |
| a | 10.3179 ± 0.0011 Å |
| b | 10.3179 ± 0.0011 Å |
| c | 8.3958 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 774.06 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 160 |
| Hermann-Mauguin space group symbol | R 3 m :H |
| Hall space group symbol | R 3 -2" |
| Residual factor for all reflections | 0.0156 |
| Residual factor for significantly intense reflections | 0.0156 |
| Weighted residual factors for significantly intense reflections | 0.037 |
| Weighted residual factors for all reflections included in the refinement | 0.037 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184807 (current) | 2016-08-04 | cif/ Adding structures of 4002674 via cif-deposit CGI script. |
4002674.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.