Crystallography Open Database

Information card for entry 4004100

Preview

Coordinates	4004100.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Br Li
Calculated formula	Br0.82105 Li
Title of publication	Rock-Salt-Ordered Nitrohalide Double Antiperovskites: Theoretical Design and Experimental Verification
Authors of publication	Mi, Ruixiang; Hu, Sanlue; Xiao, Zewen
Journal of publication	Chemistry of Materials
Year of publication	2022
Journal volume	34
Journal issue	20
Pages of publication	9098 - 9103
a	5.5058 ± 0.0003 Å
b	5.5058 ± 0.0003 Å
c	5.5058 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	166.902 ± 0.016 Å³
Number of distinct elements	2
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor R(I) for significantly intense reflections	2.1254
Method of determination	powder diffraction
Diffraction radiation type	X-ray
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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