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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°.