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YbHg is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Yb–Hg bond lengths are 3.25 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.
YbHg2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Yb is bonded to twelve equivalent Hg atoms to form a mixture of edge and face-sharing YbHg12 cuboctahedra. All Yb–Hg bond lengths are 3.38 Å. Hg is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Hg atoms. All Hg–Hg bond lengths are 2.87 Å.
YbHg3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to twelve equivalent Hg atoms to form a mixture of face and corner-sharing YbHg12 cuboctahedra. There are six shorter (3.24 Å) and six longer (3.34 Å) Yb–Hg bond lengths. Hg is bonded in a distorted see-saw-like geometry to four equivalent Yb atoms.