Information card for entry 4004101

Structure parameters

• Formula: Br2 Li5 N
• Calculated formula: Br1.85446 Li5.23566 N
• 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: 6.0336 ± 0.0009 Å
• b: 11.8257 ± 0.0015 Å
• c: 3.91 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 278.98 ± 0.07 ų
• Number of distinct elements: 3
• Space group number: 71
• Hermann-Mauguin space group symbol: I m m m
• Hall space group symbol: -I 2 2
• Residual factor R(I) for significantly intense reflections: 1.6031
• Method of determination: powder diffraction
• Diffraction radiation type: X-ray
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No