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Information card for entry 2104951
Preview
| Coordinates | 2104951.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | Rubidium sulfide |
|---|---|
| Formula | Rb2 S |
| Calculated formula | Rb2 S |
| SMILES | [Rb+].[Rb+].[S-2] |
| Title of publication | High-pressure experimental study on Rb~2~S: antifluorite to Ni~2~In-type phase transitions |
| Authors of publication | Santamaria-Perez, David; Vegas, Angel; Muehle, Claus; Jansen, Martin |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | 109 - 115 |
| a | 5.30756 ± 0.00008 Å |
| b | 5.30756 ± 0.00008 Å |
| c | 6.80615 ± 0.00004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 166.044 ± 0.004 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 2 |
| 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 | 2.2846 |
| Method of determination | powder diffraction |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301802 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/10 Each referenced PubChem compound corresponds to the full crystal structure. |
2104951.cif |
| 176768 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2104951.cif |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2104951.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2104951.cif |
| 19349 | 2011-05-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2104951, 2104952 via cif-deposit CGI script. |
2104951.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.