CaIrN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ca(1) is bonded to six equivalent N(1) atoms to form CaN6 octahedra that share corners with six equivalent Ir(1)N6 octahedra, edges with six equivalent Ca(1)N6 octahedra, and edges with six equivalent Ir(1)N6 octahedra. The corner-sharing octahedral tilt angles are 12°. Ir(1) is bonded to six equivalent N(1) atoms to form distorted IrN6 octahedra that share corners with six equivalent Ca(1)N6 octahedra, edges with six equivalent Ca(1)N6 octahedra, and edges with six equivalent Ir(1)N6 octahedra. The corner-sharing octahedral tilt angles are 12°. N(1) is bonded to three equivalent Ca(1) and three equivalent Ir(1) atoms to form a mixture of corner and edge-sharing NCa3Ir3 octahedra. The corner-sharing octahedra are not tilted.
CaIrN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ca(1) is bonded to six equivalent N(1) atoms to form CaN6 octahedra that share corners with six equivalent Ir(1)N6 octahedra, edges with six equivalent Ca(1)N6 octahedra, and edges with six equivalent Ir(1)N6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Ca(1)-N(1) bond lengths are 2.45 Å. Ir(1) is bonded to six equivalent N(1) atoms to form distorted IrN6 octahedra that share corners with six equivalent Ca(1)N6 octahedra, edges with six equivalent Ca(1)N6 octahedra, and edges with six equivalent Ir(1)N6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Ir(1)-N(1) bond lengths are 2.13 Å. N(1) is bonded to three equivalent Ca(1) and three equivalent Ir(1) atoms to form a mixture of corner and edge-sharing NCa3Ir3 octahedra. The corner-sharing octahedra are not tilted.