PtAu crystallizes in the hexagonal P-6m2 space group. Pt(1) is bonded to six equivalent Pt(1) and six equivalent Au(1) atoms to form PtPt6Au6 cuboctahedra that share corners with eighteen equivalent Pt(1)Pt6Au6 cuboctahedra, edges with six equivalent Pt(1)Pt6Au6 cuboctahedra, edges with twelve equivalent Au(1)Pt6Au6 cuboctahedra, faces with eight equivalent Pt(1)Pt6Au6 cuboctahedra, and faces with twelve equivalent Au(1)Pt6Au6 cuboctahedra. Au(1) is bonded to six equivalent Pt(1) and six equivalent Au(1) atoms to form AuPt6Au6 cuboctahedra that share corners with eighteen equivalent Au(1)Pt6Au6 cuboctahedra, edges with six equivalent Au(1)Pt6Au6 cuboctahedra, edges with twelve equivalent Pt(1)Pt6Au6 cuboctahedra, faces with eight equivalent Au(1)Pt6Au6 cuboctahedra, and faces with twelve equivalent Pt(1)Pt6Au6 cuboctahedra.
PtAu crystallizes in the hexagonal P-6m2 space group. Pt(1) is bonded to six equivalent Pt(1) and six equivalent Au(1) atoms to form PtPt6Au6 cuboctahedra that share corners with eighteen equivalent Pt(1)Pt6Au6 cuboctahedra, edges with six equivalent Pt(1)Pt6Au6 cuboctahedra, edges with twelve equivalent Au(1)Pt6Au6 cuboctahedra, faces with eight equivalent Pt(1)Pt6Au6 cuboctahedra, and faces with twelve equivalent Au(1)Pt6Au6 cuboctahedra. All Pt(1)-Pt(1) bond lengths are 2.80 Å. All Pt(1)-Au(1) bond lengths are 2.91 Å. Au(1) is bonded to six equivalent Pt(1) and six equivalent Au(1) atoms to form AuPt6Au6 cuboctahedra that share corners with eighteen equivalent Au(1)Pt6Au6 cuboctahedra, edges with six equivalent Au(1)Pt6Au6 cuboctahedra, edges with twelve equivalent Pt(1)Pt6Au6 cuboctahedra, faces with eight equivalent Au(1)Pt6Au6 cuboctahedra, and faces with twelve equivalent Pt(1)Pt6Au6 cuboctahedra. All Au(1)-Au(1) bond lengths are 2.80 Å.