Ca(ZnN)2 crystallizes in the trigonal P-3m1 space group. Ca(1) is bonded to six equivalent N(1) atoms to form CaN6 octahedra that share corners with twelve equivalent Zn(1)N4 tetrahedra, edges with six equivalent Ca(1)N6 octahedra, and edges with six equivalent Zn(1)N4 tetrahedra. Zn(1) is bonded to four equivalent N(1) atoms to form ZnN4 tetrahedra that share corners with six equivalent Ca(1)N6 octahedra, corners with six equivalent Zn(1)N4 tetrahedra, edges with three equivalent Ca(1)N6 octahedra, and edges with three equivalent Zn(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-52°. N(1) is bonded in a 7-coordinate geometry to three equivalent Ca(1) and four equivalent Zn(1) atoms.
Ca(ZnN)2 crystallizes in the trigonal P-3m1 space group. Ca(1) is bonded to six equivalent N(1) atoms to form CaN6 octahedra that share corners with twelve equivalent Zn(1)N4 tetrahedra, edges with six equivalent Ca(1)N6 octahedra, and edges with six equivalent Zn(1)N4 tetrahedra. All Ca(1)-N(1) bond lengths are 2.53 Å. Zn(1) is bonded to four equivalent N(1) atoms to form ZnN4 tetrahedra that share corners with six equivalent Ca(1)N6 octahedra, corners with six equivalent Zn(1)N4 tetrahedra, edges with three equivalent Ca(1)N6 octahedra, and edges with three equivalent Zn(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-52°. There are three shorter (2.08 Å) and one longer (2.25 Å) Zn(1)-N(1) bond length. N(1) is bonded in a 7-coordinate geometry to three equivalent Ca(1) and four equivalent Zn(1) atoms.