Cs2GaSb2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 13-coordinate geometry to one Cs(1), three equivalent Cs(2), one Ga(1), one Ga(2), one Sb(4), two equivalent Sb(1), two equivalent Sb(2), and two equivalent Sb(3) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to three equivalent Cs(1), one Ga(1), one Ga(2), one Sb(1), one Sb(2), one Sb(3), and two equivalent Sb(4) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted trigonal planar geometry to two equivalent Cs(1), two equivalent Cs(2), one Sb(2), one Sb(3), and one Sb(4) atom. In the second Ga site, Ga(2) is bonded in a distorted trigonal planar geometry to two equivalent Cs(1), two equivalent Cs(2), one Sb(1), one Sb(2), and one Sb(4) atom. There are four inequivalent Sb sites. In the first Sb site, Sb(4) is bonded in a 8-coordinate geometry to two equivalent Cs(1), four equivalent Cs(2), one Ga(1), and one Ga(2) atom. In the second Sb site, Sb(1) is bonded in a distorted single-bond geometry to two equivalent Cs(2), four equivalent Cs(1), and one Ga(2) atom. In the third Sb site, Sb(2) is bonded in a 6-coordinate geometry to two equivalent Cs(2), four equivalent Cs(1), one Ga(1), and one Ga(2) atom. In the fourth Sb site, Sb(3) is bonded in a 1-coordinate geometry to two equivalent Cs(2), four equivalent Cs(1), and one Ga(1) atom.
Cs2GaSb2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 13-coordinate geometry to one Cs(1), three equivalent Cs(2), one Ga(1), one Ga(2), one Sb(4), two equivalent Sb(1), two equivalent Sb(2), and two equivalent Sb(3) atoms. The Cs(1)-Cs(1) bond length is 4.44 Å. There are a spread of Cs(1)-Cs(2) bond distances ranging from 4.16-4.40 Å. The Cs(1)-Ga(1) bond length is 4.11 Å. The Cs(1)-Ga(2) bond length is 4.07 Å. The Cs(1)-Sb(4) bond length is 3.99 Å. There is one shorter (4.00 Å) and one longer (4.46 Å) Cs(1)-Sb(1) bond length. There is one shorter (3.85 Å) and one longer (4.36 Å) Cs(1)-Sb(2) bond length. There is one shorter (4.02 Å) and one longer (4.42 Å) Cs(1)-Sb(3) bond length. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to three equivalent Cs(1), one Ga(1), one Ga(2), one Sb(1), one Sb(2), one Sb(3), and two equivalent Sb(4) atoms. The Cs(2)-Ga(1) bond length is 4.03 Å. The Cs(2)-Ga(2) bond length is 4.01 Å. The Cs(2)-Sb(1) bond length is 3.99 Å. The Cs(2)-Sb(2) bond length is 3.88 Å. The Cs(2)-Sb(3) bond length is 3.98 Å. There is one shorter (3.92 Å) and one longer (4.05 Å) Cs(2)-Sb(4) bond length. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted trigonal planar geometry to two equivalent Cs(1), two equivalent Cs(2), one Sb(2), one Sb(3), and one Sb(4) atom. The Ga(1)-Sb(2) bond length is 2.57 Å. The Ga(1)-Sb(3) bond length is 2.59 Å. The Ga(1)-Sb(4) bond length is 2.61 Å. In the second Ga site, Ga(2) is bonded in a distorted trigonal planar geometry to two equivalent Cs(1), two equivalent Cs(2), one Sb(1), one Sb(2), and one Sb(4) atom. The Ga(2)-Sb(1) bond length is 2.59 Å. The Ga(2)-Sb(2) bond length is 2.57 Å. The Ga(2)-Sb(4) bond length is 2.61 Å. There are four inequivalent Sb sites. In the first Sb site, Sb(4) is bonded in a 8-coordinate geometry to two equivalent Cs(1), four equivalent Cs(2), one Ga(1), and one Ga(2) atom. In the second Sb site, Sb(1) is bonded in a distorted single-bond geometry to two equivalent Cs(2), four equivalent Cs(1), and one Ga(2) atom. In the third Sb site, Sb(2) is bonded in a 6-coordinate geometry to two equivalent Cs(2), four equivalent Cs(1), one Ga(1), and one Ga(2) atom. In the fourth Sb site, Sb(3) is bonded in a 1-coordinate geometry to two equivalent Cs(2), four equivalent Cs(1), and one Ga(1) atom.