Crystallography Open Database

Information card for entry 2021863

2021862 << 2021863 >> 2021864

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Coordinates	2021863.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ar-MAPbI3
Chemical name	argon methylammonium lead iodide
Formula	C H6 Ar1.337 I3 N Pb
Calculated formula	C Ar1.34 I3 N 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	8.7222 ± 0.0015 Å
b	8.7222 ± 0.0015 Å
c	11.9979 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	912.8 ± 0.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	106
Hermann-Mauguin space group symbol	P 42 b c
Hall space group symbol	P 4c -2ab
Residual factor for all reflections	0.1968
Residual factor for significantly intense reflections	0.0787
Weighted residual factors for significantly intense reflections	0.0789
Weighted residual factors for all reflections included in the refinement	0.1149
Goodness-of-fit parameter for significantly intense reflections	2.45
Goodness-of-fit parameter for all reflections included in the refinement	1.82
Diffraction radiation probe	synchrotron
Diffraction radiation wavelength	0.3738 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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.	2021863.cif