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Information card for entry 4341282
Preview
| Coordinates | 4341282.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | BaTh2S5 |
|---|---|
| Formula | Ba S5 Th2 |
| Calculated formula | Ba S5 Th2 |
| Title of publication | Syntheses, Crystal Structures, Transport Properties, and Theoretical Studies of Five Members of the MAn2Q5 Family: SrU2S5, BaU2Se5, PbU2S5, BaTh2S5, and BaU2Te5. |
| Authors of publication | Prakash, Jai; Tarasenko, Mariya S.; Mesbah, Adel; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 21 |
| Pages of publication | 11626 - 11632 |
| a | 8.61 ± 0.0017 Å |
| b | 7.62 ± 0.0015 Å |
| c | 12.06 ± 0.002 Å |
| α | 90° |
| β | 90.34 ± 0.03° |
| γ | 90° |
| Cell volume | 791.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0371 |
| Residual factor for significantly intense reflections | 0.0299 |
| Weighted residual factors for significantly intense reflections | 0.0645 |
| Weighted residual factors for all reflections included in the refinement | 0.0674 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4341282.cif |
| 179515 | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/12. |
4341282.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4341282.cif |
| 126963 | 2014-11-12 | cif/ Updating files of 4341279, 4341280, 4341281, 4341282, 4341283 Original log message: Adding full bibliography for 4341279--4341283.cif. |
4341282.cif |
| 125290 | 2014-10-12 | cif/ Adding structures of 4341279, 4341280, 4341281, 4341282, 4341283 via cif-deposit CGI script. |
4341282.cif |
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