Crystallography Open Database

Information card for entry 4134564

Preview

Coordinates	4134564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H10 I6 N2 Pb0.91 Sn1.09
Calculated formula	C6 H10 I6 N2 Pb0.9045 Sn1.0955
Title of publication	Three-dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse.
Authors of publication	Li, Xiaotong; He, Yihui; Kepenekian, Mikaël; Guo, Peijun; Ke, Weijun; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
a	16.3397 ± 0.0012 Å
b	25.552 ± 0.0016 Å
c	10.0204 ± 0.0006 Å
α	90°
β	93.13 ± 0.006°
γ	90°
Cell volume	4177.4 ± 0.5 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	8
Hermann-Mauguin space group symbol	I 1 m 1
Hall space group symbol	I -2y
Residual factor for all reflections	0.0831
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.071
Weighted residual factors for all reflections included in the refinement	0.0728
Goodness-of-fit parameter for significantly intense reflections	3.31
Goodness-of-fit parameter for all reflections included in the refinement	2.87
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
249754 (current)	2020-03-27	cif/ Adding structures of 4134564 via cif-deposit CGI script.	4134564.cif