CoAsS is Spinel-like structured and crystallizes in the orthorhombic Pmn2_1 space group. Co(1) is bonded to three equivalent As(1) and three equivalent S(1) atoms to form CoAs3S3 octahedra that share corners with eight equivalent Co(1)As3S3 octahedra, corners with three equivalent As(1)Co3S tetrahedra, corners with three equivalent S(1)Co3As tetrahedra, and edges with two equivalent Co(1)As3S3 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. As(1) is bonded to three equivalent Co(1) and one S(1) atom to form AsCo3S tetrahedra that share corners with three equivalent Co(1)As3S3 octahedra, corners with six equivalent As(1)Co3S tetrahedra, corners with seven equivalent S(1)Co3As tetrahedra, and  an edgeedge with one S(1)Co3As tetrahedra. The corner-sharing octahedral tilt angles range from 74-76°. S(1) is bonded to three equivalent Co(1) and one As(1) atom to form SCo3As tetrahedra that share corners with three equivalent Co(1)As3S3 octahedra, corners with six equivalent S(1)Co3As tetrahedra, corners with seven equivalent As(1)Co3S tetrahedra, and  an edgeedge with one As(1)Co3S tetrahedra. The corner-sharing octahedral tilt angles range from 72-79°.
CoAsS is Spinel-like structured and crystallizes in the orthorhombic Pmn2_1 space group. Co(1) is bonded to three equivalent As(1) and three equivalent S(1) atoms to form CoAs3S3 octahedra that share corners with eight equivalent Co(1)As3S3 octahedra, corners with three equivalent As(1)Co3S tetrahedra, corners with three equivalent S(1)Co3As tetrahedra, and edges with two equivalent Co(1)As3S3 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. There is one shorter (2.31 Å) and two longer (2.32 Å) Co(1)-As(1) bond lengths. There is one shorter (2.25 Å) and two longer (2.29 Å) Co(1)-S(1) bond lengths. As(1) is bonded to three equivalent Co(1) and one S(1) atom to form AsCo3S tetrahedra that share corners with three equivalent Co(1)As3S3 octahedra, corners with six equivalent As(1)Co3S tetrahedra, corners with seven equivalent S(1)Co3As tetrahedra, and  an edgeedge with one S(1)Co3As tetrahedra. The corner-sharing octahedral tilt angles range from 74-76°. The As(1)-S(1) bond length is 2.33 Å. S(1) is bonded to three equivalent Co(1) and one As(1) atom to form SCo3As tetrahedra that share corners with three equivalent Co(1)As3S3 octahedra, corners with six equivalent S(1)Co3As tetrahedra, corners with seven equivalent As(1)Co3S tetrahedra, and  an edgeedge with one As(1)Co3S tetrahedra. The corner-sharing octahedral tilt angles range from 72-79°.