CoPSe is Spinel-like structured and crystallizes in the orthorhombic Pbca 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 ten equivalent Co(1)P3Se3 octahedra, corners with three equivalent P(1)Co3Se tetrahedra, corners with three equivalent Se(1)Co3P tetrahedra, and  an edgeedge with one Co(1)P3Se3 octahedra. The corner-sharing octahedral tilt angles range from 55-66°. 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 four equivalent P(1)Co3Se tetrahedra, corners with nine equivalent Se(1)Co3P tetrahedra, and  an edgeedge with one P(1)Co3Se tetrahedra. The corner-sharing octahedral tilt angles range from 76-78°. 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 range from 73-81°.
CoPSe is Spinel-like structured and crystallizes in the orthorhombic Pbca 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 ten equivalent Co(1)P3Se3 octahedra, corners with three equivalent P(1)Co3Se tetrahedra, corners with three equivalent Se(1)Co3P tetrahedra, and  an edgeedge with one Co(1)P3Se3 octahedra. The corner-sharing octahedral tilt angles range from 55-66°. There are a spread of Co(1)-P(1) bond distances ranging from 2.22-2.25 Å. There are a spread of Co(1)-Se(1) bond distances ranging from 2.39-2.44 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 four equivalent P(1)Co3Se tetrahedra, corners with nine equivalent Se(1)Co3P tetrahedra, and  an edgeedge with one P(1)Co3Se tetrahedra. The corner-sharing octahedral tilt angles range from 76-78°. The P(1)-Se(1) bond length is 2.36 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 range from 73-81°.