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Information card for entry 2020007
Preview
| Coordinates | 2020007.cif |
|---|---|
| Structure factors | 2020007.hkl |
| Original IUCr paper | HTML |
| Chemical name | Potassium scandium sulfide |
|---|---|
| Formula | K S2 Sc |
| Calculated formula | K S2 Sc |
| Title of publication | Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion |
| Authors of publication | Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 7 |
| Pages of publication | 623 - 630 |
| a | 3.8106 ± 0.0003 Å |
| b | 3.8106 ± 0.0003 Å |
| c | 21.719 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 273.12 ± 0.04 Å3 |
| Cell temperature | 291.6 ± 0.8 K |
| Ambient diffraction temperature | 291.6 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 | 0.0285 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for significantly intense reflections | 0.0625 |
| Weighted residual factors for all reflections included in the refinement | 0.0638 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.92 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181870 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/00 |
2020007.cif 2020007.hkl |
| 176429 | 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. |
2020007.cif 2020007.hkl |
| 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. |
2020007.cif 2020007.hkl |
| 139729 | 2015-06-28 | cif/ hkl/ Adding structures of 2020007, 2020008, 2020009, 2020010, 2020011, 2020012, 2020013, 2020014, 2020015, 2020016 via cif-deposit CGI script. |
2020007.cif 2020007.hkl |
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Users of the data should acknowledge the original authors of the
structural data.