Information card for entry 4004099

Structure parameters

• Formula: Br3 Li6 N
• Calculated formula: Br3.01152 Li6.04854 N0.99616
• 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: 8.9254 ± 0.0005 Å
• b: 8.9254 ± 0.0005 Å
• c: 8.9254 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 711.02 ± 0.07 ų
• Number of distinct elements: 3
• 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: 0.8827
• Method of determination: powder diffraction
• Diffraction radiation type: X-ray
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No