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Th2Zn is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Th is bonded in a 4-coordinate geometry to four equivalent Zn atoms. All Th–Zn bond lengths are 3.20 Å. Zn is bonded in a distorted q6 geometry to eight equivalent Th and two equivalent Zn atoms. Both Zn–Zn bond lengths are 2.79 Å.
ThZn4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to sixteen Zn atoms. There are eight shorter (3.27 Å) and eight longer (3.35 Å) Th–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 9-coordinate geometry to four equivalent Th and five Zn atoms. There are one shorter (2.43 Å) and four longer (2.54 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to four equivalent Th and eight Zn atoms to form a mixture of distorted corner, edge, and face-sharing ZnTh4Zn8 cuboctahedra. All Zn–Zn bond lengths are 3.04 Å.
Th2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Th is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of Th–Zn bond distances ranging from 3.16–3.47 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to two equivalent Th and ten Zn atoms to form a mixture of distorted face, edge, and corner-sharing ZnTh2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.60–2.77 Å. In the second Zn site, Zn is bonded to two equivalent Th and ten Zn atoms to form a mixture of distorted face, edge, and corner-sharing ZnTh2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.66–2.97 Å. In the third Zn site, Zn is bonded to three equivalent Th and nine Zn atoms to form a mixture of distorted face, edge, and corner-sharing ZnTh3Zn9 cuboctahedra. There are two shorter (2.59 Å) and one longer (2.89 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded in a 2-coordinate geometry to one Th and thirteen Zn atoms. The Zn–Zn bond length is 2.61 Å.
ThZn2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded to twelve equivalent Zn atoms to form a mixture of edge and face-sharing ThZn12 cuboctahedra. All Th–Zn bond lengths are 3.19 Å. Zn is bonded in a 9-coordinate geometry to six equivalent Th and three equivalent Zn atoms. All Zn–Zn bond lengths are 2.64 Å.