Crystallography Open Database

Information card for entry 2021860

2021859 << 2021860 >> 2021861

Preview

Coordinates	2021860.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ne-MAPbI3
Chemical name	neon methylammonium lead iodide
Formula	C H6 I3 N Ne0.973 Pb
Calculated formula	C H6 I3 N Ne0.973 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	8.876 ± 0.001 Å
b	8.876 ± 0.001 Å
c	12.672 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	998.34 ± 0.18 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	97
Hermann-Mauguin space group symbol	I 4 2 2
Hall space group symbol	I 4 2
Residual factor for all reflections	0.0492
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0469
Weighted residual factors for all reflections included in the refinement	0.049
Goodness-of-fit parameter for significantly intense reflections	1.92
Goodness-of-fit parameter for all reflections included in the refinement	1.73
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7153 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.	2021860.cif