HgSO3SO4 crystallizes in the monoclinic P2_1/c space group. Hg(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form HgO6 octahedra that share corners with three equivalent S(1)O4 tetrahedra and corners with three equivalent S(2)O4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form SO4 tetrahedra that share corners with three equivalent Hg(1)O6 octahedra and  a cornercorner with one S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-56°. In the second S site, S(2) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form SO4 tetrahedra that share corners with three equivalent Hg(1)O6 octahedra and  a cornercorner with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one S(1) atom. In the second O site, O(7) is bonded in a 2-coordinate geometry to one Hg(1) and one S(2) atom. In the third O site, O(1) is bonded in a bent 120 degrees geometry to one S(1) and one S(2) atom. In the fourth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one S(2) atom. In the fifth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one S(2) atom. In the sixth O site, O(4) is bonded in a distorted single-bond geometry to one Hg(1) and one S(1) atom. In the seventh O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Hg(1) and one S(1) atom.
HgSO3SO4 crystallizes in the monoclinic P2_1/c space group. Hg(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form HgO6 octahedra that share corners with three equivalent S(1)O4 tetrahedra and corners with three equivalent S(2)O4 tetrahedra. The Hg(1)-O(2) bond length is 2.35 Å. The Hg(1)-O(3) bond length is 2.30 Å. The Hg(1)-O(4) bond length is 2.38 Å. The Hg(1)-O(5) bond length is 2.31 Å. The Hg(1)-O(6) bond length is 2.42 Å. The Hg(1)-O(7) bond length is 2.39 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form SO4 tetrahedra that share corners with three equivalent Hg(1)O6 octahedra and  a cornercorner with one S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-56°. The S(1)-O(1) bond length is 1.63 Å. The S(1)-O(4) bond length is 1.45 Å. The S(1)-O(5) bond length is 1.45 Å. The S(1)-O(6) bond length is 1.44 Å. In the second S site, S(2) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form SO4 tetrahedra that share corners with three equivalent Hg(1)O6 octahedra and  a cornercorner with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-54°. The S(2)-O(1) bond length is 1.63 Å. The S(2)-O(2) bond length is 1.44 Å. The S(2)-O(3) bond length is 1.45 Å. The S(2)-O(7) bond length is 1.44 Å. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one S(1) atom. In the second O site, O(7) is bonded in a 2-coordinate geometry to one Hg(1) and one S(2) atom. In the third O site, O(1) is bonded in a bent 120 degrees geometry to one S(1) and one S(2) atom. In the fourth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one S(2) atom. In the fifth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one S(2) atom. In the sixth O site, O(4) is bonded in a distorted single-bond geometry to one Hg(1) and one S(1) atom. In the seventh O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Hg(1) and one S(1) atom.