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Information card for entry 4002652
Preview
| Coordinates | 4002652.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | Ge Li2 Pb S4 |
|---|---|
| Calculated formula | Ge Li2 Pb S4 |
| Title of publication | Li~2~PbGeS~4~ and Li~2~EuGeS~4~: polar chalcopyrites with a severe tetragonal compression |
| Authors of publication | Aitken, Jennifer A.; Larson, Paul; Mahanti, S. D.; Kanatzidis, Mercouri G. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2001 |
| Journal volume | 13 |
| Journal issue | 12 |
| Pages of publication | 4714 - 4721 |
| a | 6.5224 ± 0.0005 Å |
| b | 6.5224 ± 0.0005 Å |
| c | 7.7603 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 330.14 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 121 |
| Hermann-Mauguin space group symbol | I -4 2 m |
| Hall space group symbol | I -4 2 |
| Residual factor for all reflections | 0.0253 |
| Residual factor for significantly intense reflections | 0.0253 |
| Weighted residual factors for significantly intense reflections | 0.0646 |
| Weighted residual factors for all reflections included in the refinement | 0.0646 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301811 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 4/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
4002652.cif |
| 277940 | 2022-09-17 | cif/4/00/ Added additional information in entries 4000111, 4002652 after consulting the original CIF file which was provided as supplementary material for the original publication. |
4002652.cif |
| 277939 | 2022-09-17 | cif/4/00/ Updated bibliographic information in entries 4000111, 4002652. |
4002652.cif |
| 176429 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
4002652.cif |
| 174074 | 2016-01-09 | cif/ Adding structures of 4002652 via cif-deposit CGI script. |
4002652.cif |
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Users of the data should acknowledge the original authors of the
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