Crystallography Open Database

Information card for entry 4004022

Preview

Coordinates	4004022.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H16 Bi I5 N2
Calculated formula	C6 H16 Bi I5 N2
Title of publication	Bismuth/Silver-Based Two-Dimensional Iodide Double and One-Dimensional Bi Perovskites: Interplay between Structural and Electronic Dimensions
Authors of publication	Li, Xiaotong; Traoré, Boubacar; Kepenekian, Mikaël; Li, Linda; Stoumpos, Constantinos C.; Guo, Peijun; Even, Jacky; Katan, Claudine; Kanatzidis, Mercouri G.
Journal of publication	Chemistry of Materials
Year of publication	2021
a	12.74 ± 0.003 Å
b	8.9285 ± 0.0018 Å
c	16.404 ± 0.003 Å
α	90°
β	90.09 ± 0.03°
γ	90°
Cell volume	1865.9 ± 0.7 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0905
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for significantly intense reflections	3.04
Goodness-of-fit parameter for all reflections included in the refinement	2.48
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
267756 (current)	2021-07-27	cif/ Adding structures of 4004022 via cif-deposit CGI script.	4004022.cif