Hg3O2(SO4) crystallizes in the trigonal P3_1 space group. There are three inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 2-coordinate geometry to one O(3) and one O(5) atom. In the second Hg site, Hg(2) is bonded in a distorted linear geometry to one O(3) and one O(5) atom. In the third Hg site, Hg(3) is bonded in a 6-coordinate geometry to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(4), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Hg(3) and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Hg(3) and one S(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Hg(1), one Hg(2), and two equivalent Hg(3) atoms. In the fourth O site, O(4) is bonded in a single-bond geometry to one S(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Hg(1), one Hg(2), and one Hg(3) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one S(1) atom.
Hg3O2(SO4) crystallizes in the trigonal P3_1 space group. There are three inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 2-coordinate geometry to one O(3) and one O(5) atom. The Hg(1)-O(3) bond length is 2.12 Å. The Hg(1)-O(5) bond length is 2.12 Å. In the second Hg site, Hg(2) is bonded in a distorted linear geometry to one O(3) and one O(5) atom. The Hg(2)-O(3) bond length is 2.08 Å. The Hg(2)-O(5) bond length is 2.09 Å. In the third Hg site, Hg(3) is bonded in a 6-coordinate geometry to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms. The Hg(3)-O(2) bond length is 2.49 Å. The Hg(3)-O(5) bond length is 2.14 Å. There is one shorter (2.51 Å) and one longer (2.63 Å) Hg(3)-O(1) bond length. There is one shorter (2.15 Å) and one longer (2.71 Å) Hg(3)-O(3) bond length. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(4), and one O(6) atom. The S(1)-O(1) bond length is 1.49 Å. The S(1)-O(2) bond length is 1.48 Å. The S(1)-O(4) bond length is 1.48 Å. The S(1)-O(6) bond length is 1.47 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Hg(3) and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Hg(3) and one S(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Hg(1), one Hg(2), and two equivalent Hg(3) atoms. In the fourth O site, O(4) is bonded in a single-bond geometry to one S(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Hg(1), one Hg(2), and one Hg(3) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one S(1) atom.