Sr2LaCu2HgO6 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. La(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Cu(1) is bonded to one O(2) and four equivalent O(1) atoms to form corner-sharing CuO5 square pyramids. Hg(1) is bonded in a linear geometry to two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent La(1), and two equivalent Cu(1) atoms to form a mixture of edge, face, and corner-sharing OSr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Cu(1), and one Hg(1) atom.
Sr2LaCu2HgO6 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. All Sr(1)-O(1) bond lengths are 2.69 Å. All Sr(1)-O(2) bond lengths are 2.88 Å. La(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. All La(1)-O(1) bond lengths are 2.57 Å. Cu(1) is bonded to one O(2) and four equivalent O(1) atoms to form corner-sharing CuO5 square pyramids. The Cu(1)-O(2) bond length is 2.46 Å. All Cu(1)-O(1) bond lengths are 1.98 Å. Hg(1) is bonded in a linear geometry to two equivalent O(2) atoms. Both Hg(1)-O(2) bond lengths are 2.07 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent La(1), and two equivalent Cu(1) atoms to form a mixture of edge, face, and corner-sharing OSr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Cu(1), and one Hg(1) atom.