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CdHg2 crystallizes in the orthorhombic Fmmm space group. The structure is two-dimensional and consists of two CdHg2 sheets oriented in the (0, 0, 1) direction. Hg is bonded in a 10-coordinate geometry to two equivalent Cd atoms. Both Hg–Cd bond lengths are 3.30 Å. Cd is bonded in a 10-coordinate geometry to four equivalent Hg and six equivalent Cd atoms. There are four shorter (3.29 Å) and two longer (3.39 Å) Cd–Cd bond lengths.
CdHg2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Hg is bonded in a 10-coordinate geometry to five equivalent Hg and five equivalent Cd atoms. There are one shorter (3.00 Å) and four longer (3.27 Å) Hg–Hg bond lengths. There are one shorter (2.99 Å) and four longer (3.27 Å) Hg–Cd bond lengths. Cd is bonded in a distorted q6 geometry to ten equivalent Hg atoms.