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PtSb is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pt2+ is bonded to six equivalent Sb2- atoms to form a mixture of edge, face, and corner-sharing PtSb6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Pt–Sb bond lengths are 2.80 Å. Sb2- is bonded in a 6-coordinate geometry to six equivalent Pt2+ atoms.
Sr2(PtSb)3 crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one Sr2(PtSb)3 ribbon oriented in the (0, 0, 1) direction. Sr2+ is bonded in a linear geometry to one Pt+0.67- and one Sb+0.67- atom. The Sr–Pt bond length is 2.70 Å. The Sr–Sb bond length is 3.19 Å. There are two inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded in a linear geometry to one Sr2+ and one Sb+0.67- atom. The Pt–Sb bond length is 2.51 Å. In the second Pt+0.67- site, Pt+0.67- is bonded in a linear geometry to two equivalent Sb+0.67- atoms. Both Pt–Sb bond lengths are 2.42 Å. There are two inequivalent Sb+0.67- sites. In the first Sb+0.67- site, Sb+0.67- is bonded in a linear geometry to one Sr2+ and one Pt+0.67- atom. In the second Sb+0.67- site, Sb+0.67- is bonded in a linear geometry to two equivalent Pt+0.67- atoms.