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Information card for entry 4131435
Preview
| Coordinates | 4131435.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Cs4 P4 Se12 Sn |
|---|---|
| Calculated formula | Cs4 P3.96 Se11.988 Sn |
| Title of publication | Panoramic Synthesis as an Effective Materials Discovery Tool: The System Cs/Sn/P/Se as a Test Case. |
| Authors of publication | Haynes, Alyssa S.; Stoumpos, Constantinos C.; Chen, Haijie; Chica, Daniel; Kanatzidis, Mercouri G. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 31 |
| Pages of publication | 10814 - 10821 |
| a | 7.8083 ± 0.0011 Å |
| b | 7.8083 ± 0.0011 Å |
| c | 37.905 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2001.4 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.093 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1085 |
| Weighted residual factors for all reflections included in the refinement | 0.1241 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241635 (current) | 2019-11-25 | cif/ Adding structures of 4131435, 4131436, 4131437 via cif-deposit CGI script. |
4131435.cif |
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Users of the data should acknowledge the original authors of the
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