CoPSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. Co(1) is bonded to three equivalent P(1) and three equivalent Se(1) atoms to form CoP3Se3 octahedra that share corners with twelve equivalent Co(1)P3Se3 octahedra, corners with three equivalent P(1)Co3Se tetrahedra, and corners with three equivalent Se(1)Co3P tetrahedra. The corner-sharing octahedral tilt angles range from 63-64°. P(1) is bonded to three equivalent Co(1) and one Se(1) atom to form PCo3Se tetrahedra that share corners with three equivalent Co(1)P3Se3 octahedra, corners with six equivalent P(1)Co3Se tetrahedra, and corners with nine equivalent Se(1)Co3P tetrahedra. The corner-sharing octahedral tilt angles are 78°. Se(1) is bonded to three equivalent Co(1) and one P(1) atom to form SeCo3P tetrahedra that share corners with three equivalent Co(1)P3Se3 octahedra, corners with six equivalent Se(1)Co3P tetrahedra, and corners with nine equivalent P(1)Co3Se tetrahedra. The corner-sharing octahedral tilt angles are 80°.
CoPSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. Co(1) is bonded to three equivalent P(1) and three equivalent Se(1) atoms to form CoP3Se3 octahedra that share corners with twelve equivalent Co(1)P3Se3 octahedra, corners with three equivalent P(1)Co3Se tetrahedra, and corners with three equivalent Se(1)Co3P tetrahedra. The corner-sharing octahedral tilt angles range from 63-64°. All Co(1)-P(1) bond lengths are 2.28 Å. All Co(1)-Se(1) bond lengths are 2.39 Å. P(1) is bonded to three equivalent Co(1) and one Se(1) atom to form PCo3Se tetrahedra that share corners with three equivalent Co(1)P3Se3 octahedra, corners with six equivalent P(1)Co3Se tetrahedra, and corners with nine equivalent Se(1)Co3P tetrahedra. The corner-sharing octahedral tilt angles are 78°. The P(1)-Se(1) bond length is 2.33 Å. Se(1) is bonded to three equivalent Co(1) and one P(1) atom to form SeCo3P tetrahedra that share corners with three equivalent Co(1)P3Se3 octahedra, corners with six equivalent Se(1)Co3P tetrahedra, and corners with nine equivalent P(1)Co3Se tetrahedra. The corner-sharing octahedral tilt angles are 80°.