Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4312174
Preview
| Coordinates | 4312174.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | N0.36 Nb O3.64 Sr2 |
|---|---|
| Calculated formula | N0.722 Nb O3.278 Sr2 |
| Title of publication | Anion Ordering and Defect Structure in Ruddlesden-Popper Strontium Niobium Oxynitrides |
| Authors of publication | Gerard Tobías; Daniel Beltrán-Porter; Oleg I. Lebedev; Gustaaf Van Tendeloo; Juan Rodríguez-Carvajal; Amparo Fuertes |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 8010 - 8017 |
| a | 4.05062 ± 0.00007 Å |
| b | 4.05062 ± 0.00007 Å |
| c | 12.5936 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 206.63 ± 0.007 Å3 |
| Number of distinct elements | 4 |
| Space group number | 139 |
| Hermann-Mauguin space group symbol | I 4/m m m |
| Hall space group symbol | -I 4 2 |
| Residual factor R(I) for significantly intense reflections | 3.3078 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | neutron |
| Diffraction radiation wavelength | 1.2253 Å |
| Diffraction radiation type | ConstantWavelengthNeutronDiffraction |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179160 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/21. |
4312174.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4312174.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. |
4312174.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4312174.cif |
| 5312 | 2011-01-03 | cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version. |
4312174.cif |
| 3679 | 2010-11-16 | ../uploads/cif-deposit/cod/cif Adding structures of 4312174 via cif-deposit CGI script. |
4312174.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.