Na2BrCl is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Na(1) is bonded to three equivalent Br(1) and three equivalent Cl(1) atoms to form a mixture of corner and edge-sharing NaBr3Cl3 octahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded to six equivalent Na(1) atoms to form BrNa6 octahedra that share corners with six equivalent Cl(1)Na6 octahedra, edges with six equivalent Br(1)Na6 octahedra, and edges with six equivalent Cl(1)Na6 octahedra. The corner-sharing octahedral tilt angles are 3°. Cl(1) is bonded to six equivalent Na(1) atoms to form ClNa6 octahedra that share corners with six equivalent Br(1)Na6 octahedra, edges with six equivalent Br(1)Na6 octahedra, and edges with six equivalent Cl(1)Na6 octahedra. The corner-sharing octahedral tilt angles are 3°.
Na2BrCl is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Na(1) is bonded to three equivalent Br(1) and three equivalent Cl(1) atoms to form a mixture of corner and edge-sharing NaBr3Cl3 octahedra. The corner-sharing octahedra are not tilted. All Na(1)-Br(1) bond lengths are 2.93 Å. All Na(1)-Cl(1) bond lengths are 2.83 Å. Br(1) is bonded to six equivalent Na(1) atoms to form BrNa6 octahedra that share corners with six equivalent Cl(1)Na6 octahedra, edges with six equivalent Br(1)Na6 octahedra, and edges with six equivalent Cl(1)Na6 octahedra. The corner-sharing octahedral tilt angles are 3°. Cl(1) is bonded to six equivalent Na(1) atoms to form ClNa6 octahedra that share corners with six equivalent Br(1)Na6 octahedra, edges with six equivalent Br(1)Na6 octahedra, and edges with six equivalent Cl(1)Na6 octahedra. The corner-sharing octahedral tilt angles are 3°.