Cu2IBr is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Cu(1) is bonded to three equivalent I(1) and three equivalent Br(1) atoms to form a mixture of edge and corner-sharing CuI3Br3 octahedra. The corner-sharing octahedra are not tilted. I(1) is bonded to six equivalent Cu(1) atoms to form ICu6 octahedra that share corners with six equivalent Br(1)Cu6 octahedra, edges with six equivalent I(1)Cu6 octahedra, and edges with six equivalent Br(1)Cu6 octahedra. The corner-sharing octahedral tilt angles are 1°. Br(1) is bonded to six equivalent Cu(1) atoms to form BrCu6 octahedra that share corners with six equivalent I(1)Cu6 octahedra, edges with six equivalent I(1)Cu6 octahedra, and edges with six equivalent Br(1)Cu6 octahedra. The corner-sharing octahedral tilt angles are 1°.
Cu2IBr is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Cu(1) is bonded to three equivalent I(1) and three equivalent Br(1) atoms to form a mixture of edge and corner-sharing CuI3Br3 octahedra. The corner-sharing octahedra are not tilted. All Cu(1)-I(1) bond lengths are 2.79 Å. All Cu(1)-Br(1) bond lengths are 2.77 Å. I(1) is bonded to six equivalent Cu(1) atoms to form ICu6 octahedra that share corners with six equivalent Br(1)Cu6 octahedra, edges with six equivalent I(1)Cu6 octahedra, and edges with six equivalent Br(1)Cu6 octahedra. The corner-sharing octahedral tilt angles are 1°. Br(1) is bonded to six equivalent Cu(1) atoms to form BrCu6 octahedra that share corners with six equivalent I(1)Cu6 octahedra, edges with six equivalent I(1)Cu6 octahedra, and edges with six equivalent Br(1)Cu6 octahedra. The corner-sharing octahedral tilt angles are 1°.