Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1563117
Preview
| Coordinates | 1563117.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | B5 Ba2 H O10 |
|---|---|
| Calculated formula | B5 Ba2 H O10 |
| Title of publication | Crystal structures of the novel hydrated borates Ba2B5O9(OH), Sr2B5O9(OH) and Li2Sr8B22O41(OH)2 |
| Authors of publication | McMillen, Colin; Heyward, Carla; Giesber, Henry; Kolis, Joseph |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2011 |
| Journal volume | 184 |
| Journal issue | 11 |
| Pages of publication | 2966 - 2971 |
| a | 6.633 ± 0.0013 Å |
| b | 8.625 ± 0.0017 Å |
| c | 14.68 ± 0.003 Å |
| α | 90° |
| β | 93.46 ± 0.03° |
| γ | 90° |
| Cell volume | 838.3 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0246 |
| Residual factor for significantly intense reflections | 0.0242 |
| Weighted residual factors for significantly intense reflections | 0.0585 |
| Weighted residual factors for all reflections included in the refinement | 0.0588 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.267 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265710 (current) | 2021-06-03 | cif/ Adding structures of 1563115, 1563116, 1563117 via cif-deposit CGI script. |
1563117.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.