Crystallography Open Database

Information card for entry 1576184

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Coordinates	1576184.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 Br8 N4 Pb2
Calculated formula	C20 Br8 N4 Pb2
Title of publication	Two-dimensional Lead-Free Double Perovskite Ferroelastic with Dynamic Thermochromism
Authors of publication	Su, Chang-Yuan; Yi, Heng-Guan; Ni, Hao-Fei; Du, Guowei; Xia, San-Qiang; Liu, Zunqi; Zhang, Zhi-Xu; Fu, Da-Wei
Journal of publication	Chemical Science
Year of publication	2025
a	29.24 ± 0.03 Å
b	8.247 ± 0.006 Å
c	8.249 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	1989 ± 3 Å³
Cell temperature	388 K
Ambient diffraction temperature	388 K
Number of distinct elements	4
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0819
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1053
Weighted residual factors for all reflections included in the refinement	0.119
Goodness-of-fit parameter for all reflections included in the refinement	1.127
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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