Ca2NCl is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ca(1) is bonded to three equivalent N(1) and three equivalent Cl(1) atoms to form a mixture of distorted edge and corner-sharing CaN3Cl3 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 Cl(1)Ca6 octahedra, edges with six equivalent N(1)Ca6 octahedra, and edges with six equivalent Cl(1)Ca6 octahedra. The corner-sharing octahedral tilt angles are 14°. Cl(1) is bonded to six equivalent Ca(1) atoms to form distorted ClCa6 octahedra that share corners with six equivalent N(1)Ca6 octahedra, edges with six equivalent N(1)Ca6 octahedra, and edges with six equivalent Cl(1)Ca6 octahedra. The corner-sharing octahedral tilt angles are 14°.
Ca2NCl is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ca(1) is bonded to three equivalent N(1) and three equivalent Cl(1) atoms to form a mixture of distorted edge and corner-sharing CaN3Cl3 octahedra. The corner-sharing octahedra are not tilted. All Ca(1)-N(1) bond lengths are 2.44 Å. All Ca(1)-Cl(1) bond lengths are 2.95 Å. N(1) is bonded to six equivalent Ca(1) atoms to form NCa6 octahedra that share corners with six equivalent Cl(1)Ca6 octahedra, edges with six equivalent N(1)Ca6 octahedra, and edges with six equivalent Cl(1)Ca6 octahedra. The corner-sharing octahedral tilt angles are 14°. Cl(1) is bonded to six equivalent Ca(1) atoms to form distorted ClCa6 octahedra that share corners with six equivalent N(1)Ca6 octahedra, edges with six equivalent N(1)Ca6 octahedra, and edges with six equivalent Cl(1)Ca6 octahedra. The corner-sharing octahedral tilt angles are 14°.