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Information card for entry 4002165
Preview
| Coordinates | 4002165.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Cs2 Hg3 S4 |
|---|---|
| Calculated formula | Cs2 Hg3 S4 |
| Title of publication | Cs2Hg3S4: A Low-Dimensional Direct Bandgap Semiconductor |
| Authors of publication | Islam, Saiful M.; Vanishri, S.; Li, Hao; Stoumpos, Constantinos C.; Peters, John. A.; Sebastian, Maria; Liu, Zhifu; Wang, Shichao; Haynes, Alyssa S.; Im, Jino; Freeman, Arthur J.; Wessels, Bruce; Kanatzidis, Mercouri G. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2015 |
| Journal volume | 27 |
| Journal issue | 1 |
| Pages of publication | 370 |
| a | 6.2778 ± 0.0013 Å |
| b | 11.601 ± 0.002 Å |
| c | 14.431 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1051 ± 0.4 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 72 |
| Hermann-Mauguin space group symbol | I b a m |
| Hall space group symbol | -I 2 2c |
| Residual factor for all reflections | 0.0512 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.0825 |
| Weighted residual factors for all reflections included in the refinement | 0.0892 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178377 (current) | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4002165.cif |
| 130302 | 2015-02-03 | cif/ Adding structures of 4002165 via cif-deposit CGI script. |
4002165.cif |
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Users of the data should acknowledge the original authors of the
structural data.