Crystallography Open Database

Information card for entry 1574020

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Coordinates	1574020.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Bi2 Br3 Cs3 I5.22
Calculated formula	Bi2 Br3 Cs3 I5.226
Title of publication	Benign Mid-Gap Halide Vacancy States in 2D Bismuth-Based Halide Perovskite Microcrystals for Enhanced Broadband Photodetectors
Authors of publication	Singh, Kuntal; Hossain, Mozakkar; Nayak, Pabitra Kumar; KARMAKAR, SOUGATA; Tripathi, Akash; Sarkar, Prakash; Rudra, Pratyasha; Muhammed Ali, A. V.; Grandhi, G. Krishnamurthy; Vivo, Paola; Mondal, Swastik; Adarsh, K. V.; Ghosh, Dibyajyoti; Rao, K. D. M.
Journal of publication	Materials Horizons
Year of publication	2025
a	8.2207 ± 0.0012 Å
b	8.2207 ± 0.0012 Å
c	10.104 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	591.35 ± 0.17 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180.15 K
Number of distinct elements	4
Space group number	164
Hermann-Mauguin space group symbol	P -3 m 1
Hall space group symbol	-P 3 2"
Residual factor for all reflections	0.0196
Residual factor for significantly intense reflections	0.0184
Weighted residual factors for significantly intense reflections	0.0425
Weighted residual factors for all reflections included in the refinement	0.0431
Goodness-of-fit parameter for all reflections included in the refinement	1.164
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
297921 (current)	2025-02-28	cif/ Adding structures of 1574020 via cif-deposit CGI script.	1574020.cif