Mg2SeS is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. Mg(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form corner-sharing MgSe2S2 tetrahedra. Se(1) is bonded to four equivalent Mg(1) atoms to form SeMg4 tetrahedra that share corners with four equivalent Se(1)Mg4 tetrahedra and corners with eight equivalent S(1)Mg4 tetrahedra. S(1) is bonded to four equivalent Mg(1) atoms to form SMg4 tetrahedra that share corners with four equivalent S(1)Mg4 tetrahedra and corners with eight equivalent Se(1)Mg4 tetrahedra.
Mg2SeS is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. Mg(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form corner-sharing MgSe2S2 tetrahedra. Both Mg(1)-Se(1) bond lengths are 2.56 Å. Both Mg(1)-S(1) bond lengths are 2.47 Å. Se(1) is bonded to four equivalent Mg(1) atoms to form SeMg4 tetrahedra that share corners with four equivalent Se(1)Mg4 tetrahedra and corners with eight equivalent S(1)Mg4 tetrahedra. S(1) is bonded to four equivalent Mg(1) atoms to form SMg4 tetrahedra that share corners with four equivalent S(1)Mg4 tetrahedra and corners with eight equivalent Se(1)Mg4 tetrahedra.