Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7714123
Preview
Coordinates | 7714123.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | H4 Li O10 S2 Sc |
---|---|
Calculated formula | H4 Li O10 S2 Sc |
Title of publication | A Lithium-Scandium Sulfate with Second-Harmonic Generation Response and Deep-Ultraviolet Transparency |
Authors of publication | Geng, Zilong; Tang, Hong-Xin; Fu, Ruibiao; Ma, Zuju; Wu, Xintao |
Journal of publication | Dalton Transactions |
Year of publication | 2023 |
a | 5.1711 ± 0.0001 Å |
b | 8.6207 ± 0.0001 Å |
c | 18.5151 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 825.38 ± 0.02 Å3 |
Cell temperature | 99.99 ± 0.1 K |
Ambient diffraction temperature | 99.99 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0222 |
Residual factor for significantly intense reflections | 0.022 |
Weighted residual factors for significantly intense reflections | 0.0597 |
Weighted residual factors for all reflections included in the refinement | 0.0598 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.3405 Å |
Diffraction radiation type | GaKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
286691 (current) | 2023-10-06 | cif/ Adding structures of 7714123 via cif-deposit CGI script. |
7714123.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.