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Information card for entry 2022342
Preview
| Coordinates | 2022342.cif |
|---|---|
| Structure factors | 2022342.hkl |
| Original IUCr paper | HTML |
| Chemical name | Trinickel diselenide |
|---|---|
| Formula | Ni3 Se2 |
| Calculated formula | Ni3 Se2 |
| Title of publication | Crystal structure refinements of stoichiometric Ni~3~Se~2~ and NiSe |
| Authors of publication | Unoki, Kohei; Yoshiasa, Akira; Kitahara, Ginga; Nishiayama, Tadao; Tokuda, Makoto; Sugiyama, Kazumasa; Nakatsuka, Akihiko |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 4 |
| Pages of publication | 169 - 175 |
| a | 6.02813 ± 0.00013 Å |
| b | 6.02813 ± 0.00013 Å |
| c | 7.24883 ± 0.00016 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 228.12 ± 0.009 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 155 |
| Hermann-Mauguin space group symbol | R 3 2 :H |
| Hall space group symbol | R 3 2" |
| Residual factor for all reflections | 0.0204 |
| Residual factor for significantly intense reflections | 0.0204 |
| Weighted residual factors for all reflections included in the refinement | 0.0517 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.37 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264984 (current) | 2021-05-06 | cif/ Updating files of 2022342, 2022343 Original log message: Adding full bibliography for 2022342--2022343.cif. |
2022342.cif 2022342.hkl |
| 262962 | 2021-03-10 | cif/ hkl/ Adding structures of 2022342, 2022343 via cif-deposit CGI script. |
2022342.cif 2022342.hkl |
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Users of the data should acknowledge the original authors of the
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