CsHSO4 crystallizes in the monoclinic P2_1/m space group. Cs(1) is bonded in a 10-coordinate geometry to three equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. H(1) is bonded in a linear geometry to two equivalent O(1) atoms. S(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one H(1), and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one S(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to three equivalent Cs(1) and one S(1) atom.
CsHSO4 crystallizes in the monoclinic P2_1/m space group. Cs(1) is bonded in a 10-coordinate geometry to three equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. There is one shorter (3.14 Å) and two longer (3.50 Å) Cs(1)-O(2) bond lengths. There is one shorter (3.20 Å) and two longer (3.34 Å) Cs(1)-O(3) bond lengths. There are two shorter (3.21 Å) and two longer (3.49 Å) Cs(1)-O(1) bond lengths. H(1) is bonded in a linear geometry to two equivalent O(1) atoms. Both H(1)-O(1) bond lengths are 1.21 Å. S(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. The S(1)-O(2) bond length is 1.45 Å. The S(1)-O(3) bond length is 1.46 Å. Both S(1)-O(1) bond lengths are 1.54 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one H(1), and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one S(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to three equivalent Cs(1) and one S(1) atom.