Information card for entry 2021858

Structure parameters

• Common name: Ne-MAPbI3
• Chemical name: neon lead iodide
• Formula: I3 Ne2.166 Pb
• Calculated formula: I3 Ne2.1659 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: 10.701 ± 0.005 Å
• b: 10.701 ± 0.005 Å
• c: 10.622 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1216.3 ± 1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Cell measurement pressure: 16.43 kPa
• Number of distinct elements: 3
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.1545
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for significantly intense reflections: 2.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.44
• Diffraction radiation probe: synchrotron
• Diffraction radiation wavelength: 0.3738 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No