ZrCuHg2 crystallizes in the cubic F-43m space group. Zr(1) is bonded in a distorted body-centered cubic geometry to four equivalent Cu(1), four equivalent Hg(1), and six equivalent Hg(2) atoms. Cu(1) is bonded in a body-centered cubic geometry to four equivalent Zr(1) and four equivalent Hg(2) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to four equivalent Zr(1) and four equivalent Hg(2) atoms to form distorted edge-sharing HgZr4Hg4 tetrahedra. In the second Hg site, Hg(2) is bonded in a 14-coordinate geometry to six equivalent Zr(1), four equivalent Cu(1), and four equivalent Hg(1) atoms.
ZrCuHg2 crystallizes in the cubic F-43m space group. Zr(1) is bonded in a distorted body-centered cubic geometry to four equivalent Cu(1), four equivalent Hg(1), and six equivalent Hg(2) atoms. All Zr(1)-Cu(1) bond lengths are 2.93 Å. All Zr(1)-Hg(1) bond lengths are 2.93 Å. All Zr(1)-Hg(2) bond lengths are 3.38 Å. Cu(1) is bonded in a body-centered cubic geometry to four equivalent Zr(1) and four equivalent Hg(2) atoms. All Cu(1)-Hg(2) bond lengths are 2.93 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to four equivalent Zr(1) and four equivalent Hg(2) atoms to form distorted edge-sharing HgZr4Hg4 tetrahedra. All Hg(1)-Hg(2) bond lengths are 2.93 Å. In the second Hg site, Hg(2) is bonded in a 14-coordinate geometry to six equivalent Zr(1), four equivalent Cu(1), and four equivalent Hg(1) atoms.