Ca2NH is Caswellsilverite-like structured and crystallizes in the cubic Fd-3m space group. Ca(1) is bonded to three equivalent N(1) and three equivalent H(1) atoms to form a mixture of corner and edge-sharing CaH3N3 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 H(1)Ca6 octahedra, edges with six equivalent N(1)Ca6 octahedra, and edges with six equivalent H(1)Ca6 octahedra. The corner-sharing octahedral tilt angles are 8°. H(1) is bonded to six equivalent Ca(1) atoms to form HCa6 octahedra that share corners with six equivalent N(1)Ca6 octahedra, edges with six equivalent N(1)Ca6 octahedra, and edges with six equivalent H(1)Ca6 octahedra. The corner-sharing octahedral tilt angles are 8°.
Ca2NH is Caswellsilverite-like structured and crystallizes in the cubic Fd-3m space group. Ca(1) is bonded to three equivalent N(1) and three equivalent H(1) atoms to form a mixture of corner and edge-sharing CaH3N3 octahedra. The corner-sharing octahedra are not tilted. All Ca(1)-N(1) bond lengths are 2.41 Å. All Ca(1)-H(1) bond lengths are 2.65 Å. N(1) is bonded to six equivalent Ca(1) atoms to form NCa6 octahedra that share corners with six equivalent H(1)Ca6 octahedra, edges with six equivalent N(1)Ca6 octahedra, and edges with six equivalent H(1)Ca6 octahedra. The corner-sharing octahedral tilt angles are 8°. H(1) is bonded to six equivalent Ca(1) atoms to form HCa6 octahedra that share corners with six equivalent N(1)Ca6 octahedra, edges with six equivalent N(1)Ca6 octahedra, and edges with six equivalent H(1)Ca6 octahedra. The corner-sharing octahedral tilt angles are 8°.