Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4000158
Preview
| Coordinates | 4000158.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2H Copper Scandium Oxide |
|---|---|
| Formula | Cu O2 Sc |
| Calculated formula | Cu O2 Sc |
| Title of publication | Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~ |
| Authors of publication | Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2002 |
| Journal volume | 14 |
| Journal issue | 6 |
| Pages of publication | 2602 - 2606 |
| a | 3.2162 ± 0.0004 Å |
| b | 3.2163 ± 0.0004 Å |
| c | 11.408 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 102.19 ± 0.01 Å3 |
| Cell temperature | 50 ± 1 K |
| Ambient diffraction temperature | 50 ± 1 K |
| 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 |
| Goodness-of-fit parameter for all reflections | 1.79 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | neutron |
| Diffraction radiation wavelength | 1.5402 Å |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277839 (current) | 2022-09-14 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
4000158.cif |
| 270058 | 2021-10-23 | cif/4/00/01/ Updated bibliographic information in entries 4000156-4000168. |
4000158.cif |
| 231204 | 2019-11-22 | Adidng DOIs to COD entries 4000156 - 4000168. | 4000158.cif |
| 106285 | 2014-03-15 | cod/ (saulius@kolibris) Adding the '_diffrn_radiation_probe neutron' data item to those COD CIFs that declared neuron radiation in their _diffrn_radiation_type data field, and did not have a _diffrn_radiation_probe item yet: codsql 'select file from data where radiation is null and radType like "%neutron%"' -NB \ | codid2file \ | xargs -i sh -c 'test -f {} && ( set -x; echo _diffrn_radiation_probe neutron >> {} )' Two files that had no newlines at the end were fixed manually. |
4000158.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4000158.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4000158.cif |
| 123 | 2008-02-18 | 15 CIFs fixed |
4000158.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
4000158.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4000158.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
4000158.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
4000158.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.