Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1531594
Preview
| Coordinates | 1531594.cif |
|---|
| Formula | Cu In O2 |
|---|---|
| Calculated formula | Cu In O2 |
| Title of publication | First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions |
| Authors of publication | Kandpal, H.C.; Seshadri, R. |
| Journal of publication | Solid State Sciences |
| Year of publication | 2002 |
| Journal volume | 4 |
| Pages of publication | 1045 - 1052 |
| a | 3.3831 Å |
| b | 3.3831 Å |
| c | 11.5505 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 114.488 Å3 |
| Number of distinct elements | 3 |
| Space group number | 194 |
| Hermann-Mauguin space group symbol | P 63/m m c |
| Hall space group symbol | -P 6c 2c |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211196 (current) | 2018-09-27 | cod/ Removing the _chemical_name_common and _chemical_name_systematic data items that contained the summary chemical formula instead of the chemical name from 6249 entries. |
1531594.cif |
| 176429 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
1531594.cif |
| 157091 | 2015-09-18 | cif/ Adding structures of 1531594 via cif-deposit CGI script. |
1531594.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.