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Information card for entry 7204814
Preview
| Coordinates | 7204814.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1T niobium disulfide |
|---|---|
| Chemical name | niobium disulfide |
| Formula | Nb S2 |
| Calculated formula | Nb S2 |
| SMILES | [Nb+4].[S-2].[S-2] |
| Title of publication | Formation of a new (1T) trigonal NbS2 polytype via atmospheric pressure chemical vapour depositionElectronic supplementary information (ESI) available: structure refinements of the NbS2 films and crystallographic data in CIF format. See http://www.rsc.org/suppdata/jm/b3/b315782m/ |
| Authors of publication | Carmalt, Claire J.; Manning, Troy D.; Parkin, Ivan P.; Peters, Emily S.; Hector, Andrew L. |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2004 |
| Journal volume | 14 |
| Journal issue | 3 |
| Pages of publication | 290 |
| a | 3.42 ± 0.006 Å |
| b | 3.42 Å |
| c | 5.938 ± 0.011 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 60.15 ± 0.15 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| 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" |
| RFsqd | 0.36152 |
| Goodness-of-fit parameter for all reflections | 1.38 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.2982 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7204814.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7204814.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7204814.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. |
7204814.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7204814.cif |
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