Crystallography Open Database

Information card for entry 4127267

Preview

Coordinates	4127267.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	5% ethylenediamonium formamidinium methylamonium lead tin iodide
Formula	C H0 I3 N0.96 Pb0.524 Sn0.433
Calculated formula	C I3 N0.96 Pb0.5236 Sn0.433
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	6.3063 ± 0.0004 Å
b	6.3063 ± 0.0004 Å
c	6.3063 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	250.8 ± 0.03 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	0.0231
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.069
Weighted residual factors for all reflections included in the refinement	0.069
Goodness-of-fit parameter for significantly intense reflections	2.51
Goodness-of-fit parameter for all reflections included in the refinement	2.51
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.	4127267.cif
215184	2019-05-16	cif/ Adding structures of 4127267 via cif-deposit CGI script.	4127267.cif