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Information card for entry 2021853
Preview
Coordinates | 2021853.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Ne-MAPbI3 |
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Chemical name | neon methylammonium lead iodide |
Formula | C H6 I3 N Ne0.424 Pb |
Calculated formula | C1.00005 I3 N1.00005 Ne0.42345 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 | 17.3128 ± 0.0009 Å |
b | 17.3128 ± 0.0009 Å |
c | 10.6019 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 2752 ± 0.3 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Cell measurement pressure | 0.69 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 | 0.0917 |
Residual factor for significantly intense reflections | 0.0695 |
Weighted residual factors for significantly intense reflections | 0.0691 |
Weighted residual factors for all reflections included in the refinement | 0.0776 |
Goodness-of-fit parameter for significantly intense reflections | 2.2 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.69 |
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. |
2021853.cif |
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Users of the data should acknowledge the original authors of the
structural data.