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MgHg2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded in a distorted q6 geometry to ten equivalent Hg atoms. There are two shorter (2.99 Å) and eight longer (3.14 Å) Mg–Hg bond lengths. Hg is bonded in a 10-coordinate geometry to five equivalent Mg and five equivalent Hg atoms. There are one shorter (2.99 Å) and four longer (3.15 Å) Hg–Hg bond lengths.
Mg5Hg3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 5-coordinate geometry to five equivalent Hg atoms. There are a spread of Mg–Hg bond distances ranging from 2.85–3.14 Å. In the second Mg site, Mg is bonded in a 6-coordinate geometry to six equivalent Hg atoms. All Mg–Hg bond lengths are 2.98 Å. Hg is bonded in a 9-coordinate geometry to nine Mg atoms.
MgHg is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Mg–Hg bond lengths are 3.03 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
Mg2Hg is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 5-coordinate geometry to five equivalent Hg atoms. There are a spread of Mg–Hg bond distances ranging from 2.97–3.16 Å. In the second Mg site, Mg is bonded in a 4-coordinate geometry to five equivalent Hg atoms. There are a spread of Mg–Hg bond distances ranging from 2.91–3.35 Å. Hg is bonded in a 10-coordinate geometry to ten Mg atoms.
Mg3Hg is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to four equivalent Hg atoms. There are one shorter (2.84 Å) and three longer (3.19 Å) Mg–Hg bond lengths. In the second Mg site, Mg is bonded in a trigonal planar geometry to three equivalent Hg atoms. All Mg–Hg bond lengths are 2.83 Å. Hg is bonded in a 5-coordinate geometry to eleven Mg atoms.
Mg5Hg crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent Hg atoms to form distorted MgMg10Hg2 cuboctahedra that share corners with eighteen equivalent MgMg10Hg2 cuboctahedra, edges with four equivalent HgMg12 cuboctahedra, edges with fourteen MgMg10Hg2 cuboctahedra, faces with four equivalent HgMg12 cuboctahedra, and faces with sixteen MgMg10Hg2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.07–3.18 Å. Both Mg–Hg bond lengths are 3.16 Å. In the second Mg site, Mg is bonded to nine Mg and three equivalent Hg atoms to form distorted MgMg9Hg3 cuboctahedra that share corners with nine equivalent MgMg9Hg3 cuboctahedra, corners with nine equivalent HgMg12 cuboctahedra, edges with eighteen MgMg10Hg2 cuboctahedra, faces with three equivalent HgMg12 cuboctahedra, and faces with seventeen MgMg10Hg2 cuboctahedra. All Mg–Mg bond lengths are 3.12 Å. All Mg–Hg bond lengths are 3.12 Å. Hg is bonded to twelve Mg atoms to form HgMg12 cuboctahedra that share corners with eighteen equivalent MgMg9Hg3 cuboctahedra, edges with six equivalent HgMg12 cuboctahedra, edges with twelve equivalent MgMg10Hg2 cuboctahedra, faces with two equivalent HgMg12 cuboctahedra, and faces with eighteen MgMg10Hg2 cuboctahedra.