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PuAs 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 As3- atoms. All Pu–As bond lengths are 3.05 Å. As3- is bonded in a body-centered cubic geometry to eight equivalent Pu3+ atoms.
PuAs 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 As3- atoms to form a mixture of edge and corner-sharing PuAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pu–As bond lengths are 2.93 Å. As3- is bonded to six equivalent Pu3+ atoms to form a mixture of edge and corner-sharing AsPu6 octahedra. The corner-sharing octahedral tilt angles are 0°.