Cs2CH6O6 crystallizes in the monoclinic P2/c space group. Cs(1) is bonded in a 8-coordinate geometry to one H(1), one H(2), one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. C(1) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(3) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Cs(1) and one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one Cs(1) and one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to two equivalent Cs(1) and two equivalent H(1) atoms. In the second O site, O(2) is bonded in a water-like geometry to two equivalent Cs(1), one H(2), and one H(3) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Cs(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to four equivalent Cs(1) and one C(1) atom.
Cs2CH6O6 crystallizes in the monoclinic P2/c space group. Cs(1) is bonded in a 8-coordinate geometry to one H(1), one H(2), one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. The Cs(1)-H(1) bond length is 3.16 Å. The Cs(1)-H(2) bond length is 3.02 Å. The Cs(1)-O(1) bond length is 3.26 Å. The Cs(1)-O(3) bond length is 3.20 Å. There is one shorter (3.30 Å) and one longer (3.36 Å) Cs(1)-O(2) bond length. There is one shorter (3.05 Å) and one longer (3.38 Å) Cs(1)-O(4) bond length. C(1) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(3) atoms. The C(1)-O(4) bond length is 1.28 Å. Both C(1)-O(3) bond lengths are 1.32 Å. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Cs(1) and one O(1) atom. The H(1)-O(1) bond length is 1.00 Å. In the second H site, H(2) is bonded in a single-bond geometry to one Cs(1) and one O(2) atom. The H(2)-O(2) bond length is 1.00 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) atom. The H(3)-O(2) bond length is 0.99 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to two equivalent Cs(1) and two equivalent H(1) atoms. In the second O site, O(2) is bonded in a water-like geometry to two equivalent Cs(1), one H(2), and one H(3) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Cs(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to four equivalent Cs(1) and one C(1) atom.