Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1548818
Preview
| Coordinates | 1548818.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | AMCSD; Wikidata |
| Chemical name | Ruthenium(IV) oxide |
|---|---|
| Formula | O2 Ru |
| Calculated formula | O2 Ru |
| Title of publication | Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U |
| Authors of publication | Zhao, Qing; Kulik, Heather J. |
| Journal of publication | Journal of Chemical Theory and Computation |
| Year of publication | 2018 |
| Journal volume | 14 |
| Journal issue | 2 |
| Pages of publication | 670 - 683 |
| a | 4.4919 ± 0.0008 Å |
| b | 4.4919 ± 0.0008 Å |
| c | 3.1066 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 62.68 ± 0.02 Å3 |
| Number of distinct elements | 2 |
| Space group number | 136 |
| Hermann-Mauguin space group symbol | P 42/m n m |
| Hall space group symbol | -P 4n 2n |
| Residual factor for all reflections | 0.071 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297224 (current) | 2025-01-08 | Updated bibliographic information and added more details to the CITATION data loops in entries 1548809-1548825. |
1548818.cif |
| 287642 | 2023-11-16 | cif/1/54/88/ (saulius@tasmanijos-velnias) Adding DOI and authors to the primary citation of COD 1548818. |
1548818.cif |
| 287641 | 2023-11-16 | cif/1/54/88/ (saulius@tasmanijos-velnias) Updating the Wikidata link for COD 1548818. |
1548818.cif |
| 287640 | 2023-11-16 | cif/1/54/88/ (saulius@tasmanijos-velnias) Updating bibliography and related database links in COD 1548818. |
1548818.cif |
| 282068 | 2023-03-26 | cod/ (saulius@tasmanijos-velnias) Adding the '_cod_related_entry_...' loop to those COD AMCSD entries that lacked it, and adding the related AMCSD database ID to this loop. |
1548818.cif |
| 282053 | 2023-03-24 | cod/ (saulius@tasmanijos-velnias) Updating the existing COD records from the recent AMCSD downloads: - Adding AMCSD IDs to those COD records that exacly matched the AMCSD structures (comparing unit cells, space groups, coordinates and measurement conditions) but did not yet have the AMCSD ID; - Adding new mineral names, compound sources, measurement conditions (when those were missing) and other informations from the AMCSD CIFs. |
1548818.cif |
| 205798 | 2018-01-28 | cif/ Adding structures of 1548818 via cif-deposit CGI script. |
1548818.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.