Cs2CO3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to two equivalent O(2), three equivalent O(1), and three equivalent O(3) atoms. In the second Cs site, Cs(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted face-sharing CsO6 octahedra. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. 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(2), three equivalent Cs(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Cs(2), three equivalent Cs(1), and one C(1) atom.
Cs2CO3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to two equivalent O(2), three equivalent O(1), and three equivalent O(3) atoms. Both Cs(1)-O(2) bond lengths are 3.18 Å. There are a spread of Cs(1)-O(1) bond distances ranging from 3.09-3.29 Å. There are two shorter (3.12 Å) and one longer (3.14 Å) Cs(1)-O(3) bond length. In the second Cs site, Cs(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted face-sharing CsO6 octahedra. There is one shorter (3.07 Å) and one longer (3.10 Å) Cs(2)-O(1) bond length. There is one shorter (2.97 Å) and one longer (3.35 Å) Cs(2)-O(2) bond length. There is one shorter (3.03 Å) and one longer (3.04 Å) Cs(2)-O(3) bond length. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The C(1)-O(1) bond length is 1.30 Å. The C(1)-O(2) bond length is 1.30 Å. The C(1)-O(3) bond length is 1.30 Å. 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(2), three equivalent Cs(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Cs(2), three equivalent Cs(1), and one C(1) atom.