CoSI is half-Heusler structured and crystallizes in the cubic F-43m space group. Co(1) is bonded in a body-centered cubic geometry to four equivalent S(1) and four equivalent I(1) atoms. S(1) is bonded to four equivalent Co(1) atoms to form SCo4 tetrahedra that share corners with four equivalent I(1)Co4 tetrahedra, corners with twelve equivalent S(1)Co4 tetrahedra, and edges with six equivalent I(1)Co4 tetrahedra. I(1) is bonded to four equivalent Co(1) atoms to form ICo4 tetrahedra that share corners with four equivalent S(1)Co4 tetrahedra, corners with twelve equivalent I(1)Co4 tetrahedra, and edges with six equivalent S(1)Co4 tetrahedra.
CoSI is half-Heusler structured and crystallizes in the cubic F-43m space group. Co(1) is bonded in a body-centered cubic geometry to four equivalent S(1) and four equivalent I(1) atoms. All Co(1)-S(1) bond lengths are 2.72 Å. All Co(1)-I(1) bond lengths are 2.72 Å. S(1) is bonded to four equivalent Co(1) atoms to form SCo4 tetrahedra that share corners with four equivalent I(1)Co4 tetrahedra, corners with twelve equivalent S(1)Co4 tetrahedra, and edges with six equivalent I(1)Co4 tetrahedra. I(1) is bonded to four equivalent Co(1) atoms to form ICo4 tetrahedra that share corners with four equivalent S(1)Co4 tetrahedra, corners with twelve equivalent I(1)Co4 tetrahedra, and edges with six equivalent S(1)Co4 tetrahedra.