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Information card for entry 4341700
Preview
| Coordinates | 4341700.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Ba2Ga8SiS16 |
|---|---|
| Formula | Ba2 Ga8 S16 Si |
| Calculated formula | Ba2 Ga7.98 S16 Si1.02 |
| Title of publication | Syntheses, Structures, and Nonlinear-Optical Properties of Metal Sulfides Ba2Ga8MS16 (M = Si, Ge). |
| Authors of publication | Liu, Bin-Wen; Zeng, Hui-Yi; Zhang, Ming-Jian; Fan, Yu-Hang; Guo, Guo-Cong; Huang, Jin-Shun; Dong, Zhen-Chao |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 3 |
| Pages of publication | 976 - 981 |
| a | 10.866 ± 0.005 Å |
| b | 10.866 ± 0.005 Å |
| c | 11.919 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1218.7 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 186 |
| Hermann-Mauguin space group symbol | P 63 m c |
| Hall space group symbol | P 6c -2c |
| Residual factor for all reflections | 0.0248 |
| Residual factor for significantly intense reflections | 0.023 |
| Weighted residual factors for significantly intense reflections | 0.0463 |
| Weighted residual factors for all reflections included in the refinement | 0.0469 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179520 (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 4/34/17. |
4341700.cif |
| 130539 | 2015-02-04 | cif/ Updating files of 4341700, 4341701 Original log message: Adding full bibliography for 4341700--4341701.cif. |
4341700.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 {}' |
4341700.cif |
| 127632 | 2014-11-21 | cif/ Adding structures of 4341700, 4341701 via cif-deposit CGI script. |
4341700.cif |
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