Hg2TeO5 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 2-coordinate geometry to one O(1), one O(4), and one O(5) atom. In the second Hg site, Hg(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(5) atom. Te(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form corner-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Hg(1), one Hg(2), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Hg(2) and one Te(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Te(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Hg(1), one Hg(2), and one Te(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 Te(1) atom.
Hg2TeO5 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 2-coordinate geometry to one O(1), one O(4), and one O(5) atom. The Hg(1)-O(1) bond length is 2.58 Å. The Hg(1)-O(4) bond length is 2.08 Å. The Hg(1)-O(5) bond length is 2.07 Å. In the second Hg site, Hg(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(5) atom. The Hg(2)-O(1) bond length is 2.17 Å. The Hg(2)-O(2) bond length is 2.22 Å. The Hg(2)-O(4) bond length is 2.48 Å. The Hg(2)-O(5) bond length is 2.36 Å. Te(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form corner-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 42°. The Te(1)-O(1) bond length is 1.91 Å. The Te(1)-O(2) bond length is 1.89 Å. The Te(1)-O(4) bond length is 1.94 Å. The Te(1)-O(5) bond length is 1.95 Å. There is one shorter (1.97 Å) and one longer (1.98 Å) Te(1)-O(3) bond length. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Hg(1), one Hg(2), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Hg(2) and one Te(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Te(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Hg(1), one Hg(2), and one Te(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 Te(1) atom.