Information card for entry 2021855

Structure parameters

• 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 ų
• 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