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Information card for entry 4338882
Preview
| Coordinates | 4338882.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Cd Hg6 I6 Sb4 |
|---|---|
| Calculated formula | Cd0.99 Hg6 I6 Sb4 |
| Title of publication | Synthesis, crystal and band structures, and properties of a new mixed three-dimensional framework metal pnictidehalide semiconductor, (Hg6Sb4)(CdI6). |
| Authors of publication | Zou, Jian-Ping; Li, Yan; Zhang, Zhang-Jing; Guo, Guo-Cong; Liu, Xi; Wang, Ming-Sheng; Cai, Li-Zhen; Lu, Ying-Bing; Huang, Jin-Shun |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 18 |
| Pages of publication | 7321 - 7325 |
| a | 13.3818 ± 0.0009 Å |
| b | 13.3818 ± 0.0009 Å |
| c | 13.3818 ± 0.0009 Å |
| α | 90.93° |
| β | 90.93° |
| γ | 90.93° |
| Cell volume | 2395.4 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :R |
| Hall space group symbol | -P 3* 2n |
| Residual factor for all reflections | 0.1081 |
| Residual factor for significantly intense reflections | 0.0655 |
| Weighted residual factors for significantly intense reflections | 0.1247 |
| Weighted residual factors for all reflections included in the refinement | 0.1329 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179491 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/88. |
4338882.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 {}' |
4338882.cif |
| 116980 | 2014-06-14 | cif/ Adding structures of 4338882 via cif-deposit CGI script. |
4338882.cif |
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Users of the data should acknowledge the original authors of the
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