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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.
Th2Zn17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 12-coordinate geometry to eighteen Zn atoms. There are a spread of Th–Zn bond distances ranging from 3.18–3.49 Å. In the second Th site, Th is bonded in a 8-coordinate geometry to twenty Zn atoms. There are a spread of Th–Zn bond distances ranging from 3.14–3.43 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded in a 2-coordinate geometry to one Th and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–2.97 Å. In the second Zn site, Zn is bonded to two equivalent Th and ten Zn atoms to form ZnTh2Zn10 cuboctahedra that share corners with twenty-two ZnTh2Zn10 cuboctahedra, edges with ten ZnTh3Zn9 cuboctahedra, and faces with eighteen ZnTh2Zn10 cuboctahedra. There are four shorter (2.62 Å) and four longer (2.67 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded to two 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 2.62–2.76 Å. In the fourth Zn site, Zn is bonded to three Th and nine Zn atoms to form a mixture of distorted face, edge, and corner-sharing ZnTh3Zn9 cuboctahedra. Both Zn–Zn bond lengths are 2.56 Å.
ThZn11 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Th is bonded in a 4-coordinate geometry to eighteen Zn atoms. There are a spread of Th–Zn bond distances ranging from 3.24–3.37 Å. There are six inequivalent Zn sites. In the first Zn site, Zn is bonded to one Th and eleven Zn atoms to form a mixture of face, edge, and corner-sharing ZnThZn11 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.58–2.90 Å. In the second Zn site, Zn is bonded in a 11-coordinate geometry to two equivalent Th and nine Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.57–2.95 Å. In the third Zn site, Zn is bonded in a 8-coordinate geometry to eight Zn atoms. All Zn–Zn bond lengths are 2.74 Å. In the fourth Zn site, Zn is bonded to four equivalent Th and eight Zn atoms to form ZnTh4Zn8 cuboctahedra that share corners with four equivalent ZnTh4Zn8 cuboctahedra, edges with two equivalent ZnTh4Zn8 cuboctahedra, and faces with ten ZnThZn11 cuboctahedra. All Zn–Zn bond lengths are 2.57 Å. In the fifth Zn site, Zn is bonded in a 10-coordinate geometry to two equivalent Th and eight Zn atoms. There are one shorter (2.45 Å) and one longer (2.67 Å) Zn–Zn bond lengths. In the sixth Zn site, Zn is bonded in a hexagonal planar geometry to six Zn atoms.
Th3Zn is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to eight Th and four equivalent Zn atoms to form ThTh8Zn4 cuboctahedra that share corners with twelve equivalent ThTh8Zn4 cuboctahedra, edges with eight equivalent ZnTh12 cuboctahedra, edges with sixteen ThTh8Zn4 cuboctahedra, faces with four equivalent ZnTh12 cuboctahedra, and faces with fourteen ThTh8Zn4 cuboctahedra. There are four shorter (3.39 Å) and four longer (3.46 Å) Th–Th bond lengths. All Th–Zn bond lengths are 3.46 Å. In the second Th site, Th is bonded to eight equivalent Th and four equivalent Zn atoms to form distorted ThTh8Zn4 cuboctahedra that share corners with four equivalent ThTh8Zn4 cuboctahedra, corners with eight equivalent ZnTh12 cuboctahedra, edges with twenty-four ThTh8Zn4 cuboctahedra, faces with six equivalent ZnTh12 cuboctahedra, and faces with twelve ThTh8Zn4 cuboctahedra. All Th–Zn bond lengths are 3.39 Å. Zn is bonded to twelve Th atoms to form ZnTh12 cuboctahedra that share corners with four equivalent ZnTh12 cuboctahedra, corners with eight equivalent ThTh8Zn4 cuboctahedra, edges with eight equivalent ZnTh12 cuboctahedra, edges with sixteen equivalent ThTh8Zn4 cuboctahedra, faces with four equivalent ZnTh12 cuboctahedra, and faces with fourteen ThTh8Zn4 cuboctahedra.