Ba2NCl is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ba(1) is bonded to three equivalent N(1) and three equivalent Cl(1) atoms to form a mixture of corner and edge-sharing BaN3Cl3 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 Cl(1)Ba6 octahedra, edges with six equivalent N(1)Ba6 octahedra, and edges with six equivalent Cl(1)Ba6 octahedra. The corner-sharing octahedral tilt angles are 12°. Cl(1) is bonded to six equivalent Ba(1) atoms to form distorted ClBa6 octahedra that share corners with six equivalent N(1)Ba6 octahedra, edges with six equivalent N(1)Ba6 octahedra, and edges with six equivalent Cl(1)Ba6 octahedra. The corner-sharing octahedral tilt angles are 12°.
Ba2NCl is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ba(1) is bonded to three equivalent N(1) and three equivalent Cl(1) atoms to form a mixture of corner and edge-sharing BaN3Cl3 octahedra. The corner-sharing octahedra are not tilted. All Ba(1)-N(1) bond lengths are 2.81 Å. All Ba(1)-Cl(1) bond lengths are 3.34 Å. N(1) is bonded to six equivalent Ba(1) atoms to form NBa6 octahedra that share corners with six equivalent Cl(1)Ba6 octahedra, edges with six equivalent N(1)Ba6 octahedra, and edges with six equivalent Cl(1)Ba6 octahedra. The corner-sharing octahedral tilt angles are 12°. Cl(1) is bonded to six equivalent Ba(1) atoms to form distorted ClBa6 octahedra that share corners with six equivalent N(1)Ba6 octahedra, edges with six equivalent N(1)Ba6 octahedra, and edges with six equivalent Cl(1)Ba6 octahedra. The corner-sharing octahedral tilt angles are 12°.