Crystallography Open Database

Information card for entry 4127266

Preview

Coordinates	4127266.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	20% ethylenediamonium formamidinium methylamonium lead tin iodide
Formula	C H0 I3 N2.503 Pb0.388 Sn0.412
Calculated formula	C I3 N2.52 Pb0.3885 Sn0.4124
Title of publication	Ethylenediammonium-Based "Hollow" Pb/Sn Perovskites with Ideal Band Gap Yield Solar Cells with Higher Efficiency and Stability.
Authors of publication	Ke, Weijun; Spanopoulos, Ioannis; Tu, Qing; Hadar, Ido; Li, Xiaotong; Shekhawat, Gajendra S.; Dravid, Vinayak P.; Kanatzidis, Mercouri G.
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	21
Pages of publication	8627 - 8637
a	6.3115 ± 0.0001 Å
b	6.3115 ± 0.0001 Å
c	6.3115 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	251.419 ± 0.007 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1181
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for significantly intense reflections	4.47
Goodness-of-fit parameter for all reflections included in the refinement	4.43
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223210 (current)	2019-11-04	cif/ Updating files of 4127266, 4127267 Original log message: Adding full bibliography for 4127266--4127267.cif.	4127266.cif
215183	2019-05-16	cif/ Adding structures of 4127266 via cif-deposit CGI script.	4127266.cif