Crystallography Open Database

Information card for entry 4004003

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Coordinates	4004003.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 Bi2 Br9 N3
Calculated formula	C21 Bi2 Br9 N3
Title of publication	Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches
Authors of publication	Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi
Journal of publication	Chemistry of Materials
Year of publication	2021
a	10.5812 ± 0.0007 Å
b	17.5448 ± 0.0011 Å
c	22.7429 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	4222.1 ± 0.5 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	4
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.1729
Residual factor for significantly intense reflections	0.1472
Weighted residual factors for significantly intense reflections	0.3071
Weighted residual factors for all reflections included in the refinement	0.3209
Goodness-of-fit parameter for all reflections included in the refinement	1.235
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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