Crystallography Open Database

Information card for entry 4517853

Preview

Coordinates	4517853.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H5 I3 N2 Sn
Calculated formula	C H5 I3 N2 Sn
Title of publication	Negative Thermal Quenching in FASnI3 Perovskite Single Crystals and Thin Films
Authors of publication	Kahmann, Simon; Nazarenko, Olga; Shao, Shuyan; Hordiichuk, Oleh; Kepenekian, Mikaël; Even, Jacky; Kovalenko, Maksym V.; Blake, Graeme R.; Loi, Maria A.
Journal of publication	ACS Energy Letters
Year of publication	2020
Pages of publication	2512 - 2519
a	8.8379 ± 0.0011 Å
b	8.8379 ± 0.0011 Å
c	12.4066 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	969.1 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	100
Hermann-Mauguin space group symbol	P 4 b m
Hall space group symbol	P 4 -2ab
Residual factor for all reflections	0.0449
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1325
Weighted residual factors for all reflections included in the refinement	0.1344
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
257083 (current)	2020-10-04	cif/ Updating files of 4517852, 4517853, 4517854 Original log message: Adding full bibliography for 4517852--4517854.cif.	4517853.cif
254281	2020-07-15	cif/ Adding structures of 4517853 via cif-deposit CGI script.	4517853.cif