Crystallography Open Database

Information card for entry 4004107

Preview

Coordinates	4004107.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	I Li7 N2
Calculated formula	I Li6.99952 N1.99976
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	10.3772 ± 0.0006 Å
b	10.3772 ± 0.0006 Å
c	10.3772 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1117.48 ± 0.11 Å³
Number of distinct elements	3
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m :2
Hall space group symbol	-F 4vw 2vw 3
Residual factor R(I) for significantly intense reflections	33.1798
Method of determination	powder diffraction
Diffraction radiation type	X-ray
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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