HgBr crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Hg1+ is bonded in a distorted single-bond geometry to one Hg1+ and five equivalent Br1- atoms. The Hg–Hg bond length is 2.63 Å. There are one shorter (2.58 Å) and four longer (3.54 Å) Hg–Br bond lengths. Br1- is bonded in a distorted single-bond geometry to five equivalent Hg1+ atoms.
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