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Information card for entry 2000245
Preview
| Coordinates | 2000245.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | Mo15 Se19 |
|---|---|
| Calculated formula | Mo15 Se19 |
| Title of publication | Structure of the metastable binary β-Mo~15~Se~19~ |
| Authors of publication | Gougeon, P.; Potel, M.; Sergent, M. |
| Journal of publication | Acta Crystallographica, Section C: Crystal Structure Communications |
| Year of publication | 1991 |
| Journal volume | 47 |
| Journal issue | 9 |
| Pages of publication | 1791 - 1794 |
| a | 20.36 ± 0.001 Å |
| b | 20.36 ± 0.001 Å |
| c | 20.36 ± 0.001 Å |
| α | 26.981 ± 0.001° |
| β | 26.981 ± 0.001° |
| γ | 26.981 ± 0.001° |
| Cell volume | 1532.2 ± 0.1 Å3 |
| Number of distinct elements | 2 |
| Hermann-Mauguin space group symbol | R -3 c :R |
| Hall space group symbol | -P 3* 2n |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mo |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179677 (current) | 2016-03-24 | cif/2/00/02/ (antanas@echidna.ibt.lt) Updating the values of cell constants in entry 2000245 after consulting the original publication. The values of '_cell_angle_beta' and '_cell_angle_gamma' data items were initially incorrectly set to the default values ('90') and the '_cell_length_b' and '_cell_length_c' data items were not provided at all. The new cell constant values were set to satisfy the constraints of a hexagonal rhombohedral unit cell as these values are compatible with other pieces of information provided in the original publication (cell setting, cell volume, interunit distances). |
2000245.cif |
| 176343 | 2016-02-11 | cif/ (antanas@kurmis) Replacing _[local]_cod_depositor_comments tag with _cod_depositor_comments in multiple entries since this tag is widely used in the COD and formally defined in the COD CIF dictionary. All other _[local]_cod_* tags in the affected entries were also replaced with the appropriate tags without the '_[local]' prefix (except for the _[local]_cod_citation_special_details tag that was not affected since it does not yet have a formal definition in the COD CIF dictionary). |
2000245.cif |
| 91933 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs. |
2000245.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2000245.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. |
2000245.cif |
| 665 | 2009-04-21 | Redepositing COD files reprocessed in the Acta-Cryst-C-1991-1993-redeposition/ directory. Although all structures were present in COD already, this redeposition enhances and improves the deposited files in several aspects: 1) full bibliographies, with diacrytic marks, are added from the IUCr BibTeX files; 2) chemical formula information is checked and fixed were necessary; 3) symmetry operators were checked for syntactic correctness, fixed were necessary, and spacegroup information was derived from these operators whenever possible; the original spacegroup was checked against the determined spacegroup and the differences were marked if present; 4) missing cell constants were restored, 5) at least in one entry, corrent coordinates were restored, 6) in entries where problems were detected, _code_depositor_comments and _cod_error_... tags were added, 7) information necessary to generate Acta Cryst. paper back-links was added, and the comment header agreed with IUCr was inserted. |
2000245.cif |
| 490 | 2008-11-24 | Corrected three _chemical_formula_sum values and one incorrect bibliography reference (wrong pages) in the COD files derived from the Acta-Cryst-C-1991-1993 publications. |
2000245.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/' |
2000245.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
2000245.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. |
2000245.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) |
2000245.cif |
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Users of the data should acknowledge the original authors of the
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