Fe3Pt crystallizes in the trigonal R-3m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent Fe(2), six equivalent Fe(1), and three equivalent Pt(1) atoms to form distorted FeFe9Pt3 cuboctahedra that share corners with twelve equivalent Fe(1)Fe9Pt3 cuboctahedra, edges with six equivalent Fe(2)Fe12 cuboctahedra, edges with six equivalent Pt(1)Fe6Pt6 cuboctahedra, edges with twelve equivalent Fe(1)Fe9Pt3 cuboctahedra, faces with six equivalent Fe(2)Fe12 cuboctahedra, faces with six equivalent Fe(1)Fe9Pt3 cuboctahedra, and faces with six equivalent Pt(1)Fe6Pt6 cuboctahedra. In the second Fe site, Fe(2) is bonded to six equivalent Fe(1) and six equivalent Fe(2) atoms to form FeFe12 cuboctahedra that share corners with six equivalent Fe(2)Fe12 cuboctahedra, corners with six equivalent Pt(1)Fe6Pt6 cuboctahedra, edges with six equivalent Fe(2)Fe12 cuboctahedra, edges with six equivalent Pt(1)Fe6Pt6 cuboctahedra, edges with twelve equivalent Fe(1)Fe9Pt3 cuboctahedra, faces with six equivalent Fe(2)Fe12 cuboctahedra, and faces with twelve equivalent Fe(1)Fe9Pt3 cuboctahedra. Pt(1) is bonded to six equivalent Fe(1) and six equivalent Pt(1) atoms to form distorted PtFe6Pt6 cuboctahedra that share corners with six equivalent Fe(2)Fe12 cuboctahedra, corners with six equivalent Pt(1)Fe6Pt6 cuboctahedra, edges with six equivalent Fe(2)Fe12 cuboctahedra, edges with six equivalent Pt(1)Fe6Pt6 cuboctahedra, edges with twelve equivalent Fe(1)Fe9Pt3 cuboctahedra, faces with six equivalent Pt(1)Fe6Pt6 cuboctahedra, and faces with twelve equivalent Fe(1)Fe9Pt3 cuboctahedra.
Fe3Pt crystallizes in the trigonal R-3m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent Fe(2), six equivalent Fe(1), and three equivalent Pt(1) atoms to form distorted FeFe9Pt3 cuboctahedra that share corners with twelve equivalent Fe(1)Fe9Pt3 cuboctahedra, edges with six equivalent Fe(2)Fe12 cuboctahedra, edges with six equivalent Pt(1)Fe6Pt6 cuboctahedra, edges with twelve equivalent Fe(1)Fe9Pt3 cuboctahedra, faces with six equivalent Fe(2)Fe12 cuboctahedra, faces with six equivalent Fe(1)Fe9Pt3 cuboctahedra, and faces with six equivalent Pt(1)Fe6Pt6 cuboctahedra. All Fe(1)-Fe(2) bond lengths are 2.50 Å. All Fe(1)-Fe(1) bond lengths are 2.72 Å. All Fe(1)-Pt(1) bond lengths are 2.69 Å. In the second Fe site, Fe(2) is bonded to six equivalent Fe(1) and six equivalent Fe(2) atoms to form FeFe12 cuboctahedra that share corners with six equivalent Fe(2)Fe12 cuboctahedra, corners with six equivalent Pt(1)Fe6Pt6 cuboctahedra, edges with six equivalent Fe(2)Fe12 cuboctahedra, edges with six equivalent Pt(1)Fe6Pt6 cuboctahedra, edges with twelve equivalent Fe(1)Fe9Pt3 cuboctahedra, faces with six equivalent Fe(2)Fe12 cuboctahedra, and faces with twelve equivalent Fe(1)Fe9Pt3 cuboctahedra. All Fe(2)-Fe(2) bond lengths are 2.72 Å. Pt(1) is bonded to six equivalent Fe(1) and six equivalent Pt(1) atoms to form distorted PtFe6Pt6 cuboctahedra that share corners with six equivalent Fe(2)Fe12 cuboctahedra, corners with six equivalent Pt(1)Fe6Pt6 cuboctahedra, edges with six equivalent Fe(2)Fe12 cuboctahedra, edges with six equivalent Pt(1)Fe6Pt6 cuboctahedra, edges with twelve equivalent Fe(1)Fe9Pt3 cuboctahedra, faces with six equivalent Pt(1)Fe6Pt6 cuboctahedra, and faces with twelve equivalent Fe(1)Fe9Pt3 cuboctahedra. All Pt(1)-Pt(1) bond lengths are 2.72 Å.