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Information card for entry 2105799
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| Coordinates | 2105799.cif |
|---|---|
| Structure factors | 2105799.hkl |
| Original IUCr paper | HTML |
| Chemical name | Potassium praseodym sulfide |
|---|---|
| Formula | K Pr S2 |
| Calculated formula | K Pr S2 |
| Title of publication | Structure determination of KLaS~2~, KPrS~2~, KEuS~2~, KGdS~2~, KLuS~2~, KYS~2~, RbYS~2~, NaLaS~2~ and crystal-chemical analysis of the group 1 and thallium(I) rare-earth sulfide series |
| Authors of publication | Fábry, Jan; Havlák, Lubomír; Dušek, Michal; Vaněk, Přemysl; Drahokoupil, Jan; Jurek, Karel |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | 360 - 371 |
| a | 4.1925 ± 0.0003 Å |
| b | 4.1925 ± 0.0003 Å |
| c | 21.892 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 333.24 ± 0.04 Å3 |
| Cell temperature | 301.5 ± 0.3 K |
| Ambient diffraction temperature | 301.5 K |
| Number of distinct elements | 3 |
| Space group number | 166 |
| Hermann-Mauguin space group symbol | R -3 m :H |
| Hall space group symbol | -R 3 2" |
| Residual factor for all reflections | 0.0206 |
| Residual factor for significantly intense reflections | 0.0164 |
| Weighted residual factors for significantly intense reflections | 0.0526 |
| Weighted residual factors for all reflections included in the refinement | 0.0555 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.78 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181876 (current) | 2016-04-06 | hkl/2/10/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/10/57. |
2105799.cif 2105799.hkl |
| 180915 | 2016-04-02 | hkl/2/10/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10/57. |
2105799.cif 2105799.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2105799.cif 2105799.hkl |
| 108732 | 2014-04-03 | cif/ hkl/ Adding structures of 2105798, 2105799, 2105800, 2105801, 2105802, 2105803, 2105804, 2105805 via cif-deposit CGI script. |
2105799.cif 2105799.hkl |
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Users of the data should acknowledge the original authors of the
structural data.