Nb4GaS8 crystallizes in the cubic F-43m space group. Nb(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form distorted NbS6 octahedra that share corners with three equivalent Ga(1)S4 tetrahedra and edges with six equivalent Nb(1)S6 octahedra. Ga(1) is bonded to four equivalent S(2) atoms to form GaS4 tetrahedra that share corners with twelve equivalent Nb(1)S6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to three equivalent Nb(1) atoms. In the second S site, S(2) is bonded to three equivalent Nb(1) and one Ga(1) atom to form a mixture of corner and edge-sharing SNb3Ga tetrahedra.
Nb4GaS8 crystallizes in the cubic F-43m space group. Nb(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form distorted NbS6 octahedra that share corners with three equivalent Ga(1)S4 tetrahedra and edges with six equivalent Nb(1)S6 octahedra. All Nb(1)-S(1) bond lengths are 2.42 Å. All Nb(1)-S(2) bond lengths are 2.67 Å. Ga(1) is bonded to four equivalent S(2) atoms to form GaS4 tetrahedra that share corners with twelve equivalent Nb(1)S6 octahedra. The corner-sharing octahedral tilt angles are 63°. All Ga(1)-S(2) bond lengths are 2.33 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to three equivalent Nb(1) atoms. In the second S site, S(2) is bonded to three equivalent Nb(1) and one Ga(1) atom to form a mixture of corner and edge-sharing SNb3Ga tetrahedra.