Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 3000250
Preview
| Coordinates | 3000250.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ca D0.13 Si |
|---|---|
| Calculated formula | Ca D0.126 Si |
| Title of publication | Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3) |
| Authors of publication | Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger |
| Journal of publication | Inorganics |
| Year of publication | 2019 |
| Journal volume | 7 |
| Journal issue | 9 |
| Pages of publication | 106 |
| a | 4.5206 ± 0.0007 Å |
| b | 11.0166 ± 0.0014 Å |
| c | 3.9018 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 194.32 ± 0.05 Å3 |
| Cell temperature | 524 K |
| Ambient diffraction temperature | 524 K |
| Number of distinct elements | 3 |
| Space group number | 63 |
| Hermann-Mauguin space group symbol | C m c m |
| Hall space group symbol | -C 2c 2 |
| Residual factor R(I) for significantly intense reflections | 6.45 |
| Goodness-of-fit parameter for all reflections | 2.19 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.86829 Å |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219320 (current) | 2019-10-13 | cif/ Updating files of 3000250 Original log message: Releasing structure 3000250 into public domain as published material. |
3000250.cif |
| 215544 | 2019-05-26 | cif/ Adding structures of 3000250 via cif-deposit CGI script. |
3000250.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.