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Information card for entry 4328021
Preview
| Coordinates | 4328021.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ga Ge2 Li Se6 |
|---|---|
| Calculated formula | Ga Ge2 Li Se6 |
| Title of publication | LiGaGe2Se6: A New IR Nonlinear Optical Material with Low Melting Point |
| Authors of publication | Dajiang Mei; Wenlong Yin; Kai Feng; Zheshuai Lin; Lei Bai; Jiyong Yao; Yicheng Wu |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 1035 - 1040 |
| a | 12.501 ± 0.003 Å |
| b | 23.683 ± 0.005 Å |
| c | 7.1196 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2107.8 ± 0.8 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0426 |
| Residual factor for significantly intense reflections | 0.0373 |
| Weighted residual factors for significantly intense reflections | 0.0673 |
| Weighted residual factors for all reflections included in the refinement | 0.0689 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.904 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179383 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/80. |
4328021.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 {}' |
4328021.cif |
| 76965 | 2013-03-22 | cif/ Adding structures of 4328021 via cif-deposit CGI script. |
4328021.cif |
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Users of the data should acknowledge the original authors of the
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