Ba2NBr is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ba(1) is bonded to three equivalent N(1) and three equivalent Br(1) atoms to form a mixture of distorted edge and corner-sharing BaBr3N3 octahedra. The corner-sharing octahedra are not tilted. N(1) is bonded to six equivalent Ba(1) atoms to form NBa6 octahedra that share corners with six equivalent Br(1)Ba6 octahedra, edges with six equivalent N(1)Ba6 octahedra, and edges with six equivalent Br(1)Ba6 octahedra. The corner-sharing octahedral tilt angles are 14°. Br(1) is bonded to six equivalent Ba(1) atoms to form distorted BrBa6 octahedra that share corners with six equivalent N(1)Ba6 octahedra, edges with six equivalent N(1)Ba6 octahedra, and edges with six equivalent Br(1)Ba6 octahedra. The corner-sharing octahedral tilt angles are 14°.
Ba2NBr is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ba(1) is bonded to three equivalent N(1) and three equivalent Br(1) atoms to form a mixture of distorted edge and corner-sharing BaBr3N3 octahedra. The corner-sharing octahedra are not tilted. All Ba(1)-N(1) bond lengths are 2.82 Å. All Ba(1)-Br(1) bond lengths are 3.46 Å. N(1) is bonded to six equivalent Ba(1) atoms to form NBa6 octahedra that share corners with six equivalent Br(1)Ba6 octahedra, edges with six equivalent N(1)Ba6 octahedra, and edges with six equivalent Br(1)Ba6 octahedra. The corner-sharing octahedral tilt angles are 14°. Br(1) is bonded to six equivalent Ba(1) atoms to form distorted BrBa6 octahedra that share corners with six equivalent N(1)Ba6 octahedra, edges with six equivalent N(1)Ba6 octahedra, and edges with six equivalent Br(1)Ba6 octahedra. The corner-sharing octahedral tilt angles are 14°.