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PuSb is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pu3+ is bonded in a body-centered cubic geometry to eight equivalent Sb3- atoms. All Pu–Sb bond lengths are 3.26 Å. Sb3- is bonded in a body-centered cubic geometry to eight equivalent Pu3+ atoms.
PuSb is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pu3+ is bonded to six equivalent Sb3- atoms to form a mixture of corner and edge-sharing PuSb6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pu–Sb bond lengths are 3.13 Å. Sb3- is bonded to six equivalent Pu3+ atoms to form a mixture of corner and edge-sharing SbPu6 octahedra. The corner-sharing octahedral tilt angles are 0°.