Ca2NBr is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ca(1) is bonded to three equivalent N(1) and three equivalent Br(1) atoms to form a mixture of distorted corner and edge-sharing CaBr3N3 octahedra. The corner-sharing octahedra are not tilted. N(1) is bonded to six equivalent Ca(1) atoms to form NCa6 octahedra that share corners with six equivalent Br(1)Ca6 octahedra, edges with six equivalent N(1)Ca6 octahedra, and edges with six equivalent Br(1)Ca6 octahedra. The corner-sharing octahedral tilt angles are 16°. Br(1) is bonded to six equivalent Ca(1) atoms to form distorted BrCa6 octahedra that share corners with six equivalent N(1)Ca6 octahedra, edges with six equivalent N(1)Ca6 octahedra, and edges with six equivalent Br(1)Ca6 octahedra. The corner-sharing octahedral tilt angles are 16°.
Ca2NBr is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ca(1) is bonded to three equivalent N(1) and three equivalent Br(1) atoms to form a mixture of distorted corner and edge-sharing CaBr3N3 octahedra. The corner-sharing octahedra are not tilted. All Ca(1)-N(1) bond lengths are 2.46 Å. All Ca(1)-Br(1) bond lengths are 3.08 Å. N(1) is bonded to six equivalent Ca(1) atoms to form NCa6 octahedra that share corners with six equivalent Br(1)Ca6 octahedra, edges with six equivalent N(1)Ca6 octahedra, and edges with six equivalent Br(1)Ca6 octahedra. The corner-sharing octahedral tilt angles are 16°. Br(1) is bonded to six equivalent Ca(1) atoms to form distorted BrCa6 octahedra that share corners with six equivalent N(1)Ca6 octahedra, edges with six equivalent N(1)Ca6 octahedra, and edges with six equivalent Br(1)Ca6 octahedra. The corner-sharing octahedral tilt angles are 16°.