CsGaS3 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 9-coordinate geometry to two equivalent S(3), three equivalent S(2), and four equivalent S(1) atoms. Ga(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form corner-sharing GaS4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted L-shaped geometry to four equivalent Cs(1) and two equivalent Ga(1) atoms. In the second S site, S(2) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Ga(1) atom. In the third S site, S(3) is bonded in a 1-coordinate geometry to two equivalent Cs(1) and one Ga(1) atom.
CsGaS3 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 9-coordinate geometry to two equivalent S(3), three equivalent S(2), and four equivalent S(1) atoms. There is one shorter (3.60 Å) and one longer (3.74 Å) Cs(1)-S(3) bond length. There are a spread of Cs(1)-S(2) bond distances ranging from 3.79-3.96 Å. There are a spread of Cs(1)-S(1) bond distances ranging from 3.64-4.00 Å. Ga(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form corner-sharing GaS4 tetrahedra. The Ga(1)-S(2) bond length is 2.31 Å. The Ga(1)-S(3) bond length is 2.29 Å. There is one shorter (2.25 Å) and one longer (2.28 Å) Ga(1)-S(1) bond length. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted L-shaped geometry to four equivalent Cs(1) and two equivalent Ga(1) atoms. In the second S site, S(2) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Ga(1) atom. In the third S site, S(3) is bonded in a 1-coordinate geometry to two equivalent Cs(1) and one Ga(1) atom.