Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4003707
Preview
Coordinates | 4003707.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | Cu4.22 K S2 Te |
---|---|
Calculated formula | Cu4.223 K S2 Te |
Title of publication | Mixed-Valent Copper Chalcogenides: Tuning Structures and Electronic Properties Using Multiple Anions |
Authors of publication | Hodges, James M.; Xia, Yi; Malliakas, Christos D.; Slade, Tyler J.; Wolverton, Chris; Kanatzidis, Mercouri G. |
Journal of publication | Chemistry of Materials |
Year of publication | 2020 |
a | 3.889 ± 0.003 Å |
b | 3.889 ± 0.003 Å |
c | 10.269 ± 0.008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 155.3 ± 0.2 Å3 |
Cell temperature | 300 K |
Ambient diffraction temperature | 300 K |
Number of distinct elements | 4 |
Space group number | 123 |
Hermann-Mauguin space group symbol | P 4/m m m |
Hall space group symbol | -P 4 2 |
Residual factor for all reflections | 0.0195 |
Residual factor for significantly intense reflections | 0.0169 |
Weighted residual factors for significantly intense reflections | 0.03 |
Weighted residual factors for all reflections included in the refinement | 0.0306 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.146 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
259174 (current) | 2020-11-19 | cif/ Adding structures of 4003707 via cif-deposit CGI script. |
4003707.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.