FeZn(Mo3S4)4 crystallizes in the trigonal R-3 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one S(1), one S(4), and three equivalent S(3) atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. In the second Mo site, Mo(2) is bonded to one S(2), one S(3), and three equivalent S(4) atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. Fe(1) is bonded in a linear geometry to two equivalent S(2) atoms. Zn(1) is bonded in a linear geometry to two equivalent S(1) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to three equivalent Mo(1) and one Zn(1) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to three equivalent Mo(2) and one Fe(1) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Mo(2) and three equivalent Mo(1) atoms. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to one Mo(1) and three equivalent Mo(2) atoms.
FeZn(Mo3S4)4 crystallizes in the trigonal R-3 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one S(1), one S(4), and three equivalent S(3) atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. The Mo(1)-S(1) bond length is 2.44 Å. The Mo(1)-S(4) bond length is 2.43 Å. There are a spread of Mo(1)-S(3) bond distances ranging from 2.44-2.52 Å. In the second Mo site, Mo(2) is bonded to one S(2), one S(3), and three equivalent S(4) atoms to form a mixture of distorted edge and corner-sharing MoS5 square pyramids. The Mo(2)-S(2) bond length is 2.46 Å. The Mo(2)-S(3) bond length is 2.44 Å. There is one shorter (2.45 Å) and two longer (2.50 Å) Mo(2)-S(4) bond lengths. Fe(1) is bonded in a linear geometry to two equivalent S(2) atoms. Both Fe(1)-S(2) bond lengths are 2.26 Å. Zn(1) is bonded in a linear geometry to two equivalent S(1) atoms. Both Zn(1)-S(1) bond lengths are 2.28 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to three equivalent Mo(1) and one Zn(1) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to three equivalent Mo(2) and one Fe(1) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Mo(2) and three equivalent Mo(1) atoms. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to one Mo(1) and three equivalent Mo(2) atoms.