Cs3GaO3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the third Cs site, Cs(3) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. Ga(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form edge-sharing GaO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), two equivalent Cs(3), and one Ga(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), and two equivalent Ga(1) atoms. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Cs(2), two equivalent Cs(1), two equivalent Cs(3), and one Ga(1) atom.
Cs3GaO3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. The Cs(1)-O(2) bond length is 2.82 Å. There is one shorter (3.00 Å) and one longer (3.40 Å) Cs(1)-O(1) bond length. There is one shorter (2.98 Å) and one longer (3.51 Å) Cs(1)-O(3) bond length. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. The Cs(2)-O(2) bond length is 2.98 Å. The Cs(2)-O(3) bond length is 2.97 Å. There is one shorter (3.00 Å) and one longer (3.13 Å) Cs(2)-O(1) bond length. In the third Cs site, Cs(3) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. The Cs(3)-O(2) bond length is 3.25 Å. There is one shorter (3.09 Å) and one longer (3.16 Å) Cs(3)-O(1) bond length. There is one shorter (2.96 Å) and one longer (3.12 Å) Cs(3)-O(3) bond length. Ga(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form edge-sharing GaO4 tetrahedra. The Ga(1)-O(1) bond length is 1.85 Å. The Ga(1)-O(3) bond length is 1.85 Å. There is one shorter (1.94 Å) and one longer (1.95 Å) Ga(1)-O(2) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), two equivalent Cs(3), and one Ga(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), and two equivalent Ga(1) atoms. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Cs(2), two equivalent Cs(1), two equivalent Cs(3), and one Ga(1) atom.