DOE OSTI2020
SrHg11 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to twelve Hg atoms to form SrHg12 cuboctahedra that share corners with four equivalent HgHg12 cuboctahedra and corners with eight equivalent SrHg12 cuboctahedra. There are four shorter (3.76 Å) and eight longer (3.82 Å) Sr–Hg bond lengths. There are four inequivalent Hg sites. In the first Hg site, Hg is bonded to twelve equivalent Hg atoms to form distorted HgHg12 cuboctahedra that share corners with twelve equivalent SrHg12 cuboctahedra. All Hg–Hg bond lengths are 3.41 Å. In the second Hg site, Hg is bonded in a 6-coordinate geometry to six Hg atoms. There are three shorter (3.10 Å) and three longer (3.12 Å) Hg–Hg bond lengths. In the third Hg site, Hg is bonded in a distorted q6 geometry to two equivalent Sr and eight Hg atoms. All Hg–Hg bond lengths are 3.21 Å. In the fourth Hg site, Hg is bonded in a 5-coordinate geometry to one Sr and five Hg atoms.