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Information card for entry 1000049
Preview
| Coordinates | 1000049.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | AMCSD |
| Chemical name | Potassium sulfate - high-temperature phase |
|---|---|
| Formula | K2 O4 S |
| Calculated formula | K2 O3.998 S |
| SMILES | [K+].[K+].S(=O)(=O)([O-])[O-] |
| Title of publication | Structure Reinvestigation of the High-Temperature Form of K~2~ S O~4~ |
| Authors of publication | Miyake, M; Morikawa, H; Iwai, S I |
| Journal of publication | Acta Crystallographica B (24,1968-38,1982) |
| Year of publication | 1980 |
| Journal volume | 36 |
| Pages of publication | 532 - 536 |
| a | 5.947 ± 0.002 Å |
| b | 5.947 ± 0.002 Å |
| c | 8.375 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 256.5 Å3 |
| 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 |
| Residual factor for all reflections | 0.086 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 130149 (current) | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
1000049.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1000049.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1000049.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. |
1000049.cif |
| 30 | 2008-01-27 | Adding the reprocessed files from my first COD deposition. Reprocessing with the new cif-tools scripts removed missing tags and added Acta Cryst. Coeditor codes into those files where the corresponding CIF tag was present. Not all reprocessed files were changed. Alsin two entries, cif/8/8000061.cif and cif/8/8000065.cif, were removed manually, both from the CIF file directory and from the cif2cod.txt file, since these two files were detected to be duplicates. |
1000049.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1000049.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. |
1000049.cif |
| 11 | 2008-01-11 | Adding splitted COD CIFs that contained mupltiple structures and mupltiple entries in the COD database. Now each file contains exactely one structure; new files were created and assigned COD numbers as necessary. There still may be more CIF files that contain mupltiple structures but which were not reflected in the COD MySQL table 'data'; |
1000049.cif |
| 10 | 2008-01-04 | BUG FIX: renaming all CIF files that had extension with all capital letters (.CIF) into files written in all lowercase (.cif). On Linux, where filenames are strictly cae-sensitive, the Web site engine would not find files that had .CIF extension (written in all caps). |
1000049.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) |
1000049.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.