FeZn2S3 is Chalcopyrite-like structured and crystallizes in the orthorhombic Imm2 space group. Fe(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form FeS4 tetrahedra that share corners with two equivalent Fe(1)S4 tetrahedra and corners with ten equivalent Zn(1)S4 tetrahedra. Zn(1) is bonded to one S(2) and three equivalent S(1) atoms to form ZnS4 tetrahedra that share corners with five equivalent Fe(1)S4 tetrahedra and corners with seven equivalent Zn(1)S4 tetrahedra. There are two inequivalent S sites. In the first S site, S(2) is bonded to two equivalent Fe(1) and two equivalent Zn(1) atoms to form SZn2Fe2 tetrahedra that share corners with two equivalent S(2)Zn2Fe2 tetrahedra and corners with ten equivalent S(1)Zn3Fe tetrahedra. In the second S site, S(1) is bonded to one Fe(1) and three equivalent Zn(1) atoms to form SZn3Fe tetrahedra that share corners with five equivalent S(2)Zn2Fe2 tetrahedra and corners with seven equivalent S(1)Zn3Fe tetrahedra.
FeZn2S3 is Chalcopyrite-like structured and crystallizes in the orthorhombic Imm2 space group. Fe(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form FeS4 tetrahedra that share corners with two equivalent Fe(1)S4 tetrahedra and corners with ten equivalent Zn(1)S4 tetrahedra. Both Fe(1)-S(1) bond lengths are 2.33 Å. Both Fe(1)-S(2) bond lengths are 2.35 Å. Zn(1) is bonded to one S(2) and three equivalent S(1) atoms to form ZnS4 tetrahedra that share corners with five equivalent Fe(1)S4 tetrahedra and corners with seven equivalent Zn(1)S4 tetrahedra. The Zn(1)-S(2) bond length is 2.36 Å. All Zn(1)-S(1) bond lengths are 2.36 Å. There are two inequivalent S sites. In the first S site, S(2) is bonded to two equivalent Fe(1) and two equivalent Zn(1) atoms to form SZn2Fe2 tetrahedra that share corners with two equivalent S(2)Zn2Fe2 tetrahedra and corners with ten equivalent S(1)Zn3Fe tetrahedra. In the second S site, S(1) is bonded to one Fe(1) and three equivalent Zn(1) atoms to form SZn3Fe tetrahedra that share corners with five equivalent S(2)Zn2Fe2 tetrahedra and corners with seven equivalent S(1)Zn3Fe tetrahedra.