Hg3SeO6 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 distorted linear geometry to one O(3), one O(4), and one O(6) atom. In the second Hg site, Hg(2) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(6), and two equivalent O(2) atoms. In the third Hg site, Hg(3) is bonded in a 2-coordinate geometry to one O(3) and one O(6) atom. Se(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Se(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Hg(2) and one Se(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 one Hg(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Hg(1), one Hg(2), and one Se(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Se(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Hg(1), one Hg(2), and one Hg(3) atom.
Hg3SeO6 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 distorted linear geometry to one O(3), one O(4), and one O(6) atom. The Hg(1)-O(3) bond length is 2.10 Å. The Hg(1)-O(4) bond length is 2.62 Å. The Hg(1)-O(6) bond length is 2.11 Å. In the second Hg site, Hg(2) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(6), and two equivalent O(2) atoms. The Hg(2)-O(3) bond length is 2.18 Å. The Hg(2)-O(4) bond length is 2.43 Å. The Hg(2)-O(6) bond length is 2.17 Å. There is one shorter (2.46 Å) and one longer (2.61 Å) Hg(2)-O(2) bond length. In the third Hg site, Hg(3) is bonded in a 2-coordinate geometry to one O(3) and one O(6) atom. The Hg(3)-O(3) bond length is 2.14 Å. The Hg(3)-O(6) bond length is 2.15 Å. Se(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(4), and one O(5) atom. The Se(1)-O(1) bond length is 1.65 Å. The Se(1)-O(2) bond length is 1.66 Å. The Se(1)-O(4) bond length is 1.66 Å. The Se(1)-O(5) bond length is 1.66 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Se(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Hg(2) and one Se(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 one Hg(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Hg(1), one Hg(2), and one Se(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Se(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Hg(1), one Hg(2), and one Hg(3) atom.