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Information card for entry 2312276
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| Coordinates | 2312276.cif |
|---|---|
| Structure factors | 2312276.hkl |
| Original IUCr paper | HTML |
| Common name | Copper mercury tin sulfide |
|---|---|
| Chemical name | Copper mercury tin sulfide |
| Formula | Cu2 Hg S4 Sn |
| Calculated formula | Cu2 Hg S4 Sn |
| Title of publication | Accurate X-ray diffraction data required for proper evaluation of bond valence sums and global instability indexes: redetermination of the crystal structures of diamond-like Cu<sub>2</sub>CdSiS<sub>4</sub> and Cu<sub>2</sub>HgSnS<sub>4</sub> as a case study. |
| Authors of publication | Treece, Megan M.; Kelly, Jordan C.; Rosello, Kate E.; Craig, Andrew J.; Aitken, Jennifer A. |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 9 |
| a | 5.5798 ± 0.0012 Å |
| b | 5.5798 ± 0.0012 Å |
| c | 10.86 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 338.12 ± 0.14 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 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 | 0.0141 |
| Residual factor for significantly intense reflections | 0.0141 |
| Weighted residual factors for significantly intense reflections | 0.0317 |
| Weighted residual factors for all reflections included in the refinement | 0.0317 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285784 (current) | 2023-08-16 | cif/ hkl/ Adding structures of 2312275, 2312276 via cif-deposit CGI script. |
2312276.cif 2312276.hkl |
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