Mo4GaCS8 crystallizes in the cubic F-43m space group. Mo(1) is bonded in a 7-coordinate geometry to one C(1), three equivalent S(1), and three equivalent S(2) atoms. Ga(1) is bonded to four equivalent S(2) atoms to form GaS4 tetrahedra that share corners with four equivalent C(1)Mo4S4 tetrahedra. C(1) is bonded to four equivalent Mo(1) and four equivalent S(2) atoms to form distorted CMo4S4 tetrahedra that share corners with four equivalent Ga(1)S4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to three equivalent Mo(1), one Ga(1), and one C(1) atom.
Mo4GaCS8 crystallizes in the cubic F-43m space group. Mo(1) is bonded in a 7-coordinate geometry to one C(1), three equivalent S(1), and three equivalent S(2) atoms. The Mo(1)-C(1) bond length is 2.70 Å. All Mo(1)-S(1) bond lengths are 2.36 Å. All Mo(1)-S(2) bond lengths are 2.72 Å. Ga(1) is bonded to four equivalent S(2) atoms to form GaS4 tetrahedra that share corners with four equivalent C(1)Mo4S4 tetrahedra. All Ga(1)-S(2) bond lengths are 2.53 Å. C(1) is bonded to four equivalent Mo(1) and four equivalent S(2) atoms to form distorted CMo4S4 tetrahedra that share corners with four equivalent Ga(1)S4 tetrahedra. All C(1)-S(2) bond lengths are 1.88 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to three equivalent Mo(1), one Ga(1), and one C(1) atom.