Ba3GaS4Cl crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one S(2), one S(3), four equivalent S(1), and two equivalent Cl(1) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to two equivalent S(2), two equivalent S(3), three equivalent S(1), and two equivalent Cl(1) atoms. Ga(1) is bonded in a tetrahedral geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), three equivalent Ba(2), and one Ga(1) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Ba(1), four equivalent Ba(2), and one Ga(1) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to one Ba(1), four equivalent Ba(2), and one Ga(1) atom. Cl(1) is bonded to two equivalent Ba(1) and four equivalent Ba(2) atoms to form distorted corner-sharing ClBa6 octahedra. The corner-sharing octahedral tilt angles range from 36-47°.
Ba3GaS4Cl crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one S(2), one S(3), four equivalent S(1), and two equivalent Cl(1) atoms. The Ba(1)-S(2) bond length is 3.07 Å. The Ba(1)-S(3) bond length is 3.24 Å. There are two shorter (3.09 Å) and two longer (3.24 Å) Ba(1)-S(1) bond lengths. There is one shorter (3.17 Å) and one longer (3.75 Å) Ba(1)-Cl(1) bond length. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to two equivalent S(2), two equivalent S(3), three equivalent S(1), and two equivalent Cl(1) atoms. There is one shorter (3.30 Å) and one longer (3.53 Å) Ba(2)-S(2) bond length. There is one shorter (3.27 Å) and one longer (3.30 Å) Ba(2)-S(3) bond length. There are a spread of Ba(2)-S(1) bond distances ranging from 3.34-3.63 Å. There is one shorter (3.33 Å) and one longer (3.44 Å) Ba(2)-Cl(1) bond length. Ga(1) is bonded in a tetrahedral geometry to one S(2), one S(3), and two equivalent S(1) atoms. The Ga(1)-S(2) bond length is 2.27 Å. The Ga(1)-S(3) bond length is 2.27 Å. Both Ga(1)-S(1) bond lengths are 2.24 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), three equivalent Ba(2), and one Ga(1) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Ba(1), four equivalent Ba(2), and one Ga(1) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to one Ba(1), four equivalent Ba(2), and one Ga(1) atom. Cl(1) is bonded to two equivalent Ba(1) and four equivalent Ba(2) atoms to form distorted corner-sharing ClBa6 octahedra. The corner-sharing octahedral tilt angles range from 36-47°.