CoAsSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. Co(1) is bonded to three equivalent As(1) and three equivalent Se(1) atoms to form CoAs3Se3 octahedra that share corners with twelve equivalent Co(1)As3Se3 octahedra, corners with three equivalent Se(1)Co3As tetrahedra, and corners with three equivalent As(1)Co3Se trigonal pyramids. The corner-sharing octahedral tilt angles are 63°. As(1) is bonded to three equivalent Co(1) and one Se(1) atom to form AsCo3Se trigonal pyramids that share corners with three equivalent Co(1)As3Se3 octahedra, corners with nine equivalent Se(1)Co3As tetrahedra, and corners with six equivalent As(1)Co3Se trigonal pyramids. The corner-sharing octahedral tilt angles are 79°. Se(1) is bonded to three equivalent Co(1) and one As(1) atom to form distorted SeCo3As tetrahedra that share corners with three equivalent Co(1)As3Se3 octahedra, corners with six equivalent Se(1)Co3As tetrahedra, and corners with nine equivalent As(1)Co3Se trigonal pyramids. The corner-sharing octahedral tilt angles are 80°.
CoAsSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. Co(1) is bonded to three equivalent As(1) and three equivalent Se(1) atoms to form CoAs3Se3 octahedra that share corners with twelve equivalent Co(1)As3Se3 octahedra, corners with three equivalent Se(1)Co3As tetrahedra, and corners with three equivalent As(1)Co3Se trigonal pyramids. The corner-sharing octahedral tilt angles are 63°. All Co(1)-As(1) bond lengths are 2.39 Å. All Co(1)-Se(1) bond lengths are 2.41 Å. As(1) is bonded to three equivalent Co(1) and one Se(1) atom to form AsCo3Se trigonal pyramids that share corners with three equivalent Co(1)As3Se3 octahedra, corners with nine equivalent Se(1)Co3As tetrahedra, and corners with six equivalent As(1)Co3Se trigonal pyramids. The corner-sharing octahedral tilt angles are 79°. The As(1)-Se(1) bond length is 2.47 Å. Se(1) is bonded to three equivalent Co(1) and one As(1) atom to form distorted SeCo3As tetrahedra that share corners with three equivalent Co(1)As3Se3 octahedra, corners with six equivalent Se(1)Co3As tetrahedra, and corners with nine equivalent As(1)Co3Se trigonal pyramids. The corner-sharing octahedral tilt angles are 80°.