ZnSe2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. Zn(1) is bonded to six equivalent Se(1) atoms to form ZnSe6 octahedra that share corners with twelve equivalent Zn(1)Se6 octahedra and corners with six equivalent Se(1)Zn3Se tetrahedra. The corner-sharing octahedral tilt angles are 66°. Se(1) is bonded to three equivalent Zn(1) and one Se(1) atom to form distorted SeZn3Se tetrahedra that share corners with three equivalent Zn(1)Se6 octahedra and corners with fifteen equivalent Se(1)Zn3Se tetrahedra. The corner-sharing octahedral tilt angles are 76°.
ZnSe2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. Zn(1) is bonded to six equivalent Se(1) atoms to form ZnSe6 octahedra that share corners with twelve equivalent Zn(1)Se6 octahedra and corners with six equivalent Se(1)Zn3Se tetrahedra. The corner-sharing octahedral tilt angles are 66°. All Zn(1)-Se(1) bond lengths are 2.68 Å. Se(1) is bonded to three equivalent Zn(1) and one Se(1) atom to form distorted SeZn3Se tetrahedra that share corners with three equivalent Zn(1)Se6 octahedra and corners with fifteen equivalent Se(1)Zn3Se tetrahedra. The corner-sharing octahedral tilt angles are 76°. The Se(1)-Se(1) bond length is 2.40 Å.