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ThSb is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Th is bonded in a body-centered cubic geometry to eight equivalent Sb atoms. All Th–Sb bond lengths are 3.34 Å. Sb is bonded in a body-centered cubic geometry to eight equivalent Th atoms.
ThSb is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Th is bonded to six equivalent Sb atoms to form a mixture of corner and edge-sharing ThSb6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Th–Sb bond lengths are 3.19 Å. Sb is bonded to six equivalent Th atoms to form a mixture of corner and edge-sharing SbTh6 octahedra. The corner-sharing octahedral tilt angles are 0°.
Th3Sb4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Th4+ is bonded to eight equivalent Sb3- atoms to form a mixture of distorted corner, edge, and face-sharing ThSb8 hexagonal bipyramids. There are four shorter (3.24 Å) and four longer (3.31 Å) Th–Sb bond lengths. Sb3- is bonded to six equivalent Th4+ atoms to form a mixture of distorted corner, edge, and face-sharing SbTh6 octahedra. The corner-sharing octahedra tilt angles range from 15–51°.
ThSb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Th4+ is bonded in a 9-coordinate geometry to nine Sb2- atoms. There are a spread of Th–Sb bond distances ranging from 3.22–3.37 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Th4+ and four equivalent Sb2- atoms. All Sb–Sb bond lengths are 3.12 Å. In the second Sb2- site, Sb2- is bonded to five equivalent Th4+ atoms to form a mixture of distorted corner and edge-sharing SbTh5 trigonal bipyramids.