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Information card for entry 4340717
Preview
| Coordinates | 4340717.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Lead Bismuth Selenide (7/4/13) |
|---|---|
| Formula | Bi4 Pb7 Se13 |
| Calculated formula | Bi4 Pb7 Se13 |
| Title of publication | Pb7Bi4Se13: A Lillianite Homologue with Promising Thermoelectric Properties. |
| Authors of publication | Olvera, Alan; Shi, Guangsha; Djieutedjeu, Honore; Page, Alexander; Uher, Ctirad; Kioupakis, Emmanouil; Poudeu, Pierre F. P. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 3 |
| Pages of publication | 746 - 755 |
| a | 13.991 ± 0.003 Å |
| b | 4.2619 ± 0.0009 Å |
| c | 23.432 ± 0.005 Å |
| α | 90° |
| β | 98.31 ± 0.03° |
| γ | 90° |
| Cell volume | 1382.5 ± 0.5 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0291 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.0734 |
| Weighted residual factors for all reflections included in the refinement | 0.0734 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.176 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179510 (current) | 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 4/34/07. |
4340717.cif |
| 130540 | 2015-02-04 | cif/ Updating files of 4340716, 4340717 Original log message: Adding full bibliography for 4340716--4340717.cif. |
4340717.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 {}' |
4340717.cif |
| 122018 | 2014-08-18 | cif/ Adding structures of 4340717 via cif-deposit CGI script. |
4340717.cif |
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