Ba4Cu2HgTl2O10 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(1), and four equivalent O(4) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Cu(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(1) atoms. Hg(1) is bonded in a linear geometry to two equivalent O(2) atoms. Tl(1) is bonded in a distorted linear geometry to one O(3) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Cu(1) atoms to form a mixture of distorted edge, face, and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second O site, O(2) is bonded in a 5-coordinate geometry to four equivalent Ba(2) and one Hg(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1) and one Tl(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to four equivalent Ba(1) and one Tl(1) atom.
Ba4Cu2HgTl2O10 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(1), and four equivalent O(4) atoms. The Ba(1)-O(3) bond length is 3.06 Å. All Ba(1)-O(1) bond lengths are 2.76 Å. All Ba(1)-O(4) bond lengths are 2.90 Å. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. All Ba(2)-O(1) bond lengths are 2.75 Å. All Ba(2)-O(2) bond lengths are 2.94 Å. Cu(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(1) atoms. All Cu(1)-O(1) bond lengths are 1.96 Å. Hg(1) is bonded in a linear geometry to two equivalent O(2) atoms. Both Hg(1)-O(2) bond lengths are 2.02 Å. Tl(1) is bonded in a distorted linear geometry to one O(3) and one O(4) atom. The Tl(1)-O(3) bond length is 2.07 Å. The Tl(1)-O(4) bond length is 2.03 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Cu(1) atoms to form a mixture of distorted edge, face, and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second O site, O(2) is bonded in a 5-coordinate geometry to four equivalent Ba(2) and one Hg(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1) and one Tl(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to four equivalent Ba(1) and one Tl(1) atom.