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Information card for entry 2021855
Preview
| Coordinates | 2021855.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Ne-MAPbI3 |
|---|---|
| Chemical name | neon methylammonium lead iodide |
| Formula | C H6 I3 N Ne0.91 Pb |
| Calculated formula | C1.00005 I3 N1.00005 Ne0.9105 Pb |
| Title of publication | Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media |
| Authors of publication | Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre |
| Journal of publication | Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 3 |
| Pages of publication | 361 |
| a | 16.7757 ± 0.0009 Å |
| b | 16.7757 ± 0.0009 Å |
| c | 10.2267 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2492.5 ± 0.2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Cell measurement pressure | 2.69 kPa |
| Number of distinct elements | 6 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1045 |
| Residual factor for significantly intense reflections | 0.0841 |
| Weighted residual factors for significantly intense reflections | 0.0804 |
| Weighted residual factors for all reflections included in the refinement | 0.0828 |
| Goodness-of-fit parameter for significantly intense reflections | 2.9 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.27 |
| Diffraction radiation probe | synchrotron |
| Diffraction radiation wavelength | 0.3738 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245750 (current) | 2019-12-25 | cif/ Adding structures of 2021853, 2021854, 2021855, 2021856, 2021857, 2021858, 2021859, 2021860, 2021861, 2021862, 2021863, 2021864, 2021865, 2021866 via cif-deposit CGI script. |
2021855.cif |
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Users of the data should acknowledge the original authors of the
structural data.