Information card for entry 2021856

Structure parameters

• Common name: Ne-MAPbI3
• Chemical name: neon methylammonium lead iodide
• Formula: C H6 I3 N Ne1.098 Pb
• Calculated formula: C0.5 I3 N0.5 Ne1.09825 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: 11.435 ± 0.003 Å
• b: 11.437 ± 0.003 Å
• c: 11.442 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1496.4 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Cell measurement pressure: 4.56 kPa
• Number of distinct elements: 6
• Space group number: 44
• Hermann-Mauguin space group symbol: I m 2 m
• Hall space group symbol: I -2 -2
• Residual factor for all reflections: 0.232
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for significantly intense reflections: 1.07
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation probe: synchrotron
• Diffraction radiation wavelength: 0.3738 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No