Cs8Ga11Cl crystallizes in the trigonal R-3c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 1-coordinate geometry to one Ga(1), two equivalent Ga(2), four equivalent Ga(3), and one Cl(1) atom. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to three equivalent Ga(1), six equivalent Ga(3), and one Cl(1) atom. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), two equivalent Ga(2), and four equivalent Ga(3) atoms. In the second Ga site, Ga(2) is bonded to six equivalent Cs(1), three equivalent Ga(1), and three equivalent Ga(3) atoms to form a mixture of distorted edge and face-sharing GaCs6Ga6 cuboctahedra. In the third Ga site, Ga(3) is bonded in a 10-coordinate geometry to two equivalent Cs(2), four equivalent Cs(1), one Ga(2), one Ga(3), and two equivalent Ga(1) atoms. Cl(1) is bonded in a body-centered cubic geometry to two equivalent Cs(2) and six equivalent Cs(1) atoms.
Cs8Ga11Cl crystallizes in the trigonal R-3c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 1-coordinate geometry to one Ga(1), two equivalent Ga(2), four equivalent Ga(3), and one Cl(1) atom. The Cs(1)-Ga(1) bond length is 3.77 Å. There is one shorter (4.11 Å) and one longer (4.28 Å) Cs(1)-Ga(2) bond length. There are a spread of Cs(1)-Ga(3) bond distances ranging from 3.79-4.08 Å. The Cs(1)-Cl(1) bond length is 3.56 Å. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to three equivalent Ga(1), six equivalent Ga(3), and one Cl(1) atom. All Cs(2)-Ga(1) bond lengths are 4.35 Å. There are three shorter (3.98 Å) and three longer (4.29 Å) Cs(2)-Ga(3) bond lengths. The Cs(2)-Cl(1) bond length is 3.82 Å. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), two equivalent Ga(2), and four equivalent Ga(3) atoms. Both Ga(1)-Ga(2) bond lengths are 2.97 Å. There are two shorter (2.69 Å) and two longer (2.70 Å) Ga(1)-Ga(3) bond lengths. In the second Ga site, Ga(2) is bonded to six equivalent Cs(1), three equivalent Ga(1), and three equivalent Ga(3) atoms to form a mixture of distorted edge and face-sharing GaCs6Ga6 cuboctahedra. All Ga(2)-Ga(3) bond lengths are 2.71 Å. In the third Ga site, Ga(3) is bonded in a 10-coordinate geometry to two equivalent Cs(2), four equivalent Cs(1), one Ga(2), one Ga(3), and two equivalent Ga(1) atoms. The Ga(3)-Ga(3) bond length is 2.78 Å. Cl(1) is bonded in a body-centered cubic geometry to two equivalent Cs(2) and six equivalent Cs(1) atoms.