H4SO5 crystallizes in the orthorhombic P2_12_12_1 space group. There are four inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(1) and one O(4) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(1) and one O(5) atom. In the third H site, H(3) is bonded in a linear geometry to one O(2) and one O(5) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(3) and one O(5) atom. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(4) is bonded in a water-like geometry to one H(1) and one S(1) atom. In the second O site, O(5) is bonded in a trigonal non-coplanar geometry to one H(2), one H(3), and one H(4) atom. In the third O site, O(1) is bonded in a trigonal planar geometry to one H(1), one H(2), and one S(1) atom. In the fourth O site, O(2) is bonded in a bent 120 degrees geometry to one H(3) and one S(1) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one H(4) and one S(1) atom.
H4SO5 crystallizes in the orthorhombic P2_12_12_1 space group. There are four inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(1) and one O(4) atom. The H(1)-O(1) bond length is 1.66 Å. The H(1)-O(4) bond length is 1.00 Å. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(1) and one O(5) atom. The H(2)-O(1) bond length is 1.61 Å. The H(2)-O(5) bond length is 1.00 Å. In the third H site, H(3) is bonded in a linear geometry to one O(2) and one O(5) atom. The H(3)-O(2) bond length is 1.50 Å. The H(3)-O(5) bond length is 1.02 Å. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(3) and one O(5) atom. The H(4)-O(3) bond length is 1.57 Å. The H(4)-O(5) bond length is 1.00 Å. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. The S(1)-O(1) bond length is 1.46 Å. The S(1)-O(2) bond length is 1.46 Å. The S(1)-O(3) bond length is 1.44 Å. The S(1)-O(4) bond length is 1.56 Å. There are five inequivalent O sites. In the first O site, O(4) is bonded in a water-like geometry to one H(1) and one S(1) atom. In the second O site, O(5) is bonded in a trigonal non-coplanar geometry to one H(2), one H(3), and one H(4) atom. In the third O site, O(1) is bonded in a trigonal planar geometry to one H(1), one H(2), and one S(1) atom. In the fourth O site, O(2) is bonded in a bent 120 degrees geometry to one H(3) and one S(1) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one H(4) and one S(1) atom.