Zr2N2Se crystallizes in the trigonal P-3m1 space group. Zr(1) is bonded in a 4-coordinate geometry to four equivalent N(1) and three equivalent Se(1) atoms. N(1) is bonded to four equivalent Zr(1) atoms to form NZr4 tetrahedra that share corners with six equivalent Se(1)Zr6 octahedra, corners with six equivalent N(1)Zr4 tetrahedra, edges with three equivalent Se(1)Zr6 octahedra, and edges with three equivalent N(1)Zr4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-46°. Se(1) is bonded to six equivalent Zr(1) atoms to form distorted SeZr6 octahedra that share corners with twelve equivalent N(1)Zr4 tetrahedra, edges with six equivalent Se(1)Zr6 octahedra, and edges with six equivalent N(1)Zr4 tetrahedra.
Zr2N2Se crystallizes in the trigonal P-3m1 space group. Zr(1) is bonded in a 4-coordinate geometry to four equivalent N(1) and three equivalent Se(1) atoms. There are three shorter (2.15 Å) and one longer (2.17 Å) Zr(1)-N(1) bond length. All Zr(1)-Se(1) bond lengths are 2.92 Å. N(1) is bonded to four equivalent Zr(1) atoms to form NZr4 tetrahedra that share corners with six equivalent Se(1)Zr6 octahedra, corners with six equivalent N(1)Zr4 tetrahedra, edges with three equivalent Se(1)Zr6 octahedra, and edges with three equivalent N(1)Zr4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-46°. Se(1) is bonded to six equivalent Zr(1) atoms to form distorted SeZr6 octahedra that share corners with twelve equivalent N(1)Zr4 tetrahedra, edges with six equivalent Se(1)Zr6 octahedra, and edges with six equivalent N(1)Zr4 tetrahedra.