CaHg3 crystallizes in the orthorhombic Cmcm space group. Ca(1) is bonded to four equivalent Hg(2) and eight equivalent Hg(1) atoms to form a mixture of corner and face-sharing CaHg12 cuboctahedra. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 4-coordinate geometry to four equivalent Ca(1) atoms. In the second Hg site, Hg(2) is bonded in a distorted see-saw-like geometry to four equivalent Ca(1) atoms.
CaHg3 crystallizes in the orthorhombic Cmcm space group. Ca(1) is bonded to four equivalent Hg(2) and eight equivalent Hg(1) atoms to form a mixture of corner and face-sharing CaHg12 cuboctahedra. There are two shorter (3.27 Å) and two longer (3.29 Å) Ca(1)-Hg(2) bond lengths. There are a spread of Ca(1)-Hg(1) bond distances ranging from 3.26-3.42 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 4-coordinate geometry to four equivalent Ca(1) atoms. In the second Hg site, Hg(2) is bonded in a distorted see-saw-like geometry to four equivalent Ca(1) atoms.