Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1531458
Preview
| Coordinates | 1531458.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Pr2 O3 |
|---|---|
| Formula | O3 Pr2 |
| Calculated formula | O3 Pr2 |
| Title of publication | Ab initio calculation of the crystal structure of the lanthanide Ln2 O3 sesquioxides |
| Authors of publication | Hirosaki, N.; Ogata, S.; Kocer, C. |
| Journal of publication | Journal of Alloys Compd. |
| Year of publication | 2003 |
| Journal volume | 351 |
| Pages of publication | 31 - 34 |
| a | 3.895 Å |
| b | 3.895 Å |
| c | 6.126 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 80.486 Å3 |
| Number of distinct elements | 2 |
| Space group number | 164 |
| Hermann-Mauguin space group symbol | P -3 m 1 |
| Hall space group symbol | -P 3 2" |
| Method of determination | theoretical |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 160574 (current) | 2015-10-06 | cif/1/53/14/ Marking structures from Hirosaki, Ogata and Kocer (2003) as theoretical according to the original publication. |
1531458.cif |
| 156935 | 2015-09-17 | cif/ Adding structures of 1531458 via cif-deposit CGI script. |
1531458.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.