Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4341424
Preview
| Coordinates | 4341424.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C0.33 Al O3.66 Y |
|---|---|
| Calculated formula | C0.34 Al0.99999 O3.68 Y |
| Title of publication | True Composition and Structure of Hexagonal "YAlO3", Actually Y3Al3O8CO3. |
| Authors of publication | Li, Jun; Smith, Andrew E.; Jiang, Peng; Stalick, Judith K.; Sleight, Arthur W.; Subramanian, M. A. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 3 |
| Pages of publication | 837 - 844 |
| a | 3.7076 ± 0.0001 Å |
| b | 3.7076 ± 0.0001 Å |
| c | 10.552 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 125.618 ± 0.013 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 194 |
| Hermann-Mauguin space group symbol | P 63/m m c |
| Hall space group symbol | -P 6c 2c |
| Residual factor for all reflections | 0.0364 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0403 |
| Weighted residual factors for all reflections included in the refinement | 0.0455 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.552 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.5402 Å |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4341424.cif |
| 130532 | 2015-02-04 | cif/ Updating files of 4341423, 4341424 Original log message: Adding full bibliography for 4341423--4341424.cif. |
4341424.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4341424.cif |
| 126147 | 2014-11-01 | cif/ Adding structures of 4341423, 4341424 via cif-deposit CGI script. |
4341424.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.