Ba2NF is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ba(1) is bonded to three equivalent N(1) and three equivalent F(1) atoms to form a mixture of edge and corner-sharing BaN3F3 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 F(1)Ba6 octahedra, edges with six equivalent N(1)Ba6 octahedra, and edges with six equivalent F(1)Ba6 octahedra. The corner-sharing octahedral tilt angles are 5°. F(1) is bonded to six equivalent Ba(1) atoms to form FBa6 octahedra that share corners with six equivalent N(1)Ba6 octahedra, edges with six equivalent N(1)Ba6 octahedra, and edges with six equivalent F(1)Ba6 octahedra. The corner-sharing octahedral tilt angles are 5°.
Ba2NF is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ba(1) is bonded to three equivalent N(1) and three equivalent F(1) atoms to form a mixture of edge and corner-sharing BaN3F3 octahedra. The corner-sharing octahedra are not tilted. All Ba(1)-N(1) bond lengths are 2.77 Å. All Ba(1)-F(1) bond lengths are 2.95 Å. N(1) is bonded to six equivalent Ba(1) atoms to form NBa6 octahedra that share corners with six equivalent F(1)Ba6 octahedra, edges with six equivalent N(1)Ba6 octahedra, and edges with six equivalent F(1)Ba6 octahedra. The corner-sharing octahedral tilt angles are 5°. F(1) is bonded to six equivalent Ba(1) atoms to form FBa6 octahedra that share corners with six equivalent N(1)Ba6 octahedra, edges with six equivalent N(1)Ba6 octahedra, and edges with six equivalent F(1)Ba6 octahedra. The corner-sharing octahedral tilt angles are 5°.