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Information card for entry 4343914
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| Coordinates | 4343914.cif |
|---|
| Chemical name | K2 (Cu (H2 O)6) (S O4)1.571 (Se O4)0.428 |
|---|---|
| Formula | Cu H12 K2 O13.996 S1.571 Se0.428 |
| Calculated formula | Cu H12 K2 O14 S1.5714 Se0.428 |
| Title of publication | Influence of lattice interactions on the Jahn-Teller distortion of the [Cu (H2 O)6](2+) ion: dependence of the crystal structure of K2 [Cu (H2 O)6] (S O4)(2x) (Se O4)(2-2x) upon the sulfate/selenate ratio |
| Authors of publication | Simmons, C.J.; Stratemeier, H.; Hitchman, M.A.; Riley, M.J. |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Pages of publication | 1021 - 1031 |
| a | 9.0911 Å |
| b | 12.114 Å |
| c | 6.1717 Å |
| α | 90° |
| β | 104° |
| γ | 90° |
| Cell volume | 659.497 Å3 |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
4343914.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4343914.cif |
| 151657 | 2015-07-14 | cif/ Adding structures of 4343914 via cif-deposit CGI script. |
4343914.cif |
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Users of the data should acknowledge the original authors of the
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