Cs4CO4 crystallizes in the trigonal R3 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to one O(2) and three equivalent O(1) atoms. In the second Cs site, Cs(2) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. C(1) is bonded in a tetrahedral geometry to one O(2) and three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Cs(2), three equivalent Cs(1), and one C(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one C(1) atom.
Cs4CO4 crystallizes in the trigonal R3 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to one O(2) and three equivalent O(1) atoms. The Cs(1)-O(2) bond length is 2.75 Å. There are a spread of Cs(1)-O(1) bond distances ranging from 2.80-3.73 Å. In the second Cs site, Cs(2) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. All Cs(2)-O(1) bond lengths are 2.80 Å. C(1) is bonded in a tetrahedral geometry to one O(2) and three equivalent O(1) atoms. The C(1)-O(2) bond length is 1.45 Å. All C(1)-O(1) bond lengths are 1.44 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Cs(2), three equivalent Cs(1), and one C(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one C(1) atom.