CuSe2 is Pyrite-like structured and crystallizes in the cubic Pa-3 space group. Cu(1) is bonded to six equivalent Se(1) atoms to form CuSe6 octahedra that share corners with twelve equivalent Cu(1)Se6 octahedra and corners with six equivalent Se(1)Cu3Se tetrahedra. The corner-sharing octahedral tilt angles are 65°. Se(1) is bonded to three equivalent Cu(1) and one Se(1) atom to form distorted SeCu3Se tetrahedra that share corners with three equivalent Cu(1)Se6 octahedra and corners with fifteen equivalent Se(1)Cu3Se tetrahedra. The corner-sharing octahedral tilt angles are 76°.
CuSe2 is Pyrite-like structured and crystallizes in the cubic Pa-3 space group. Cu(1) is bonded to six equivalent Se(1) atoms to form CuSe6 octahedra that share corners with twelve equivalent Cu(1)Se6 octahedra and corners with six equivalent Se(1)Cu3Se tetrahedra. The corner-sharing octahedral tilt angles are 65°. All Cu(1)-Se(1) bond lengths are 2.58 Å. Se(1) is bonded to three equivalent Cu(1) and one Se(1) atom to form distorted SeCu3Se tetrahedra that share corners with three equivalent Cu(1)Se6 octahedra and corners with fifteen equivalent Se(1)Cu3Se tetrahedra. The corner-sharing octahedral tilt angles are 76°. The Se(1)-Se(1) bond length is 2.33 Å.