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UHg2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to two equivalent U and twelve equivalent Hg atoms. Both U–U bond lengths are 3.03 Å. All U–Hg bond lengths are 3.36 Å. Hg is bonded in a distorted q6 geometry to six equivalent U and five equivalent Hg atoms. There are three shorter (2.99 Å) and two longer (3.03 Å) Hg–Hg bond lengths.
UHg3 is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. U is bonded to six equivalent U and six equivalent Hg atoms to form UU6Hg6 cuboctahedra that share corners with six equivalent UU6Hg6 cuboctahedra, corners with twelve equivalent HgHg12 cuboctahedra, edges with six equivalent UU6Hg6 cuboctahedra, edges with twelve equivalent HgU3Hg9 cuboctahedra, faces with six equivalent UU6Hg6 cuboctahedra, and faces with fourteen HgHg12 cuboctahedra. All U–U bond lengths are 3.18 Å. All U–Hg bond lengths are 3.30 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded to twelve Hg atoms to form HgHg12 cuboctahedra that share corners with six equivalent HgHg12 cuboctahedra, corners with twelve equivalent UU6Hg6 cuboctahedra, edges with eighteen HgHg12 cuboctahedra, faces with two equivalent UU6Hg6 cuboctahedra, and faces with eighteen HgHg12 cuboctahedra. There are six shorter (3.18 Å) and six longer (3.26 Å) Hg–Hg bond lengths. In the second Hg site, Hg is bonded to three equivalent U and nine Hg atoms to form distorted HgU3Hg9 cuboctahedra that share corners with eighteen equivalent HgU3Hg9 cuboctahedra, edges with six equivalent UU6Hg6 cuboctahedra, edges with twelve HgHg12 cuboctahedra, faces with six equivalent UU6Hg6 cuboctahedra, and faces with fourteen HgHg12 cuboctahedra. All Hg–Hg bond lengths are 3.18 Å.
U3Hg is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to eight U and four equivalent Hg atoms to form distorted UU8Hg4 cuboctahedra that share corners with twelve equivalent UU8Hg4 cuboctahedra, edges with eight equivalent HgU12 cuboctahedra, edges with sixteen UU8Hg4 cuboctahedra, faces with four equivalent HgU12 cuboctahedra, and faces with fourteen UU8Hg4 cuboctahedra. There are four shorter (3.12 Å) and four longer (3.18 Å) U–U bond lengths. All U–Hg bond lengths are 3.12 Å. In the second U site, U is bonded to eight equivalent U and four equivalent Hg atoms to form distorted UU8Hg4 cuboctahedra that share corners with four equivalent UU8Hg4 cuboctahedra, corners with eight equivalent HgU12 cuboctahedra, edges with twenty-four UU8Hg4 cuboctahedra, faces with six equivalent HgU12 cuboctahedra, and faces with twelve UU8Hg4 cuboctahedra. All U–Hg bond lengths are 3.18 Å. Hg is bonded to twelve U atoms to form HgU12 cuboctahedra that share corners with four equivalent HgU12 cuboctahedra, corners with eight equivalent UU8Hg4 cuboctahedra, edges with eight equivalent HgU12 cuboctahedra, edges with sixteen equivalent UU8Hg4 cuboctahedra, faces with four equivalent HgU12 cuboctahedra, and faces with fourteen UU8Hg4 cuboctahedra.
UHg3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. U is bonded to twelve Hg atoms to form a mixture of face and corner-sharing UHg12 cuboctahedra. There are a spread of U–Hg bond distances ranging from 3.20–3.42 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 4-coordinate geometry to four equivalent U atoms. In the second Hg site, Hg is bonded in a 4-coordinate geometry to four equivalent U atoms.