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PtBa crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba2+ is bonded in a 6-coordinate geometry to six equivalent Pt2- atoms. All Ba–Pt bond lengths are 3.29 Å. Pt2- is bonded in a body-centered cubic geometry to six equivalent Ba2+ and two equivalent Pt2- atoms. Both Pt–Pt bond lengths are 2.73 Å.
BaPt2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to twelve equivalent Pt atoms. All Ba–Pt bond lengths are 3.35 Å. Pt is bonded to six equivalent Ba and six equivalent Pt atoms to form a mixture of edge, face, and corner-sharing PtBa6Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.86 Å.
BaPt5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a 6-coordinate geometry to eighteen Pt+0.40- atoms. There are six shorter (3.25 Å) and twelve longer (3.56 Å) Ba–Pt bond lengths. There are two inequivalent Pt+0.40- sites. In the first Pt+0.40- site, Pt+0.40- is bonded in a 12-coordinate geometry to three equivalent Ba2+ and six equivalent Pt+0.40- atoms. All Pt–Pt bond lengths are 2.72 Å. In the second Pt+0.40- site, Pt+0.40- is bonded to four equivalent Ba2+ and eight Pt+0.40- atoms to form a mixture of edge, corner, and face-sharing PtBa4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.82 Å.