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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.
HgBr2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two HgBr2 sheets oriented in the (0, 0, 1) direction. Hg2+ is bonded to six Br1- atoms to form distorted edge-sharing HgBr6 octahedra. There are a spread of Hg–Br bond distances ranging from 2.48–3.42 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to three equivalent Hg2+ atoms. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to three equivalent Hg2+ atoms.
HgBr2 is trigonal omega-like structured and crystallizes in the trigonal P3 space group. The structure is two-dimensional and consists of one HgBr2 sheet oriented in the (0, 0, 1) direction. there are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded to six Br1- atoms to form edge-sharing HgBr6 octahedra. There are three shorter (2.81 Å) and three longer (2.94 Å) Hg–Br bond lengths. In the second Hg2+ site, Hg2+ is bonded to six Br1- atoms to form edge-sharing HgBr6 octahedra. There are three shorter (2.86 Å) and three longer (2.89 Å) Hg–Br bond lengths. In the third Hg2+ site, Hg2+ is bonded to six Br1- atoms to form edge-sharing HgBr6 octahedra. There are three shorter (2.82 Å) and three longer (2.93 Å) Hg–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted T-shaped geometry to three Hg2+ atoms. In the second Br1- site, Br1- is bonded in a distorted T-shaped geometry to three Hg2+ atoms.
HgBr3 crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two HgBr3 ribbons oriented in the (0, 0, 1) direction. Hg is bonded to six equivalent Br atoms to form distorted face-sharing HgBr6 pentagonal pyramids. All Hg–Br bond lengths are 2.86 Å. Br is bonded in an L-shaped geometry to two equivalent Hg atoms.