FePtSb crystallizes in the cubic P2_13 space group. Fe(1) is bonded to three equivalent Pt(1) and one Sb(1) atom to form distorted FeSbPt3 trigonal pyramids that share corners with three equivalent Pt(1)Fe3Sb3 octahedra, corners with nine equivalent Sb(1)FePt3 tetrahedra, and corners with six equivalent Fe(1)SbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 76°. Pt(1) is bonded to three equivalent Fe(1) and three equivalent Sb(1) atoms to form distorted PtFe3Sb3 octahedra that share corners with twelve equivalent Pt(1)Fe3Sb3 octahedra, corners with three equivalent Sb(1)FePt3 tetrahedra, and corners with three equivalent Fe(1)SbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 62-66°. Sb(1) is bonded to one Fe(1) and three equivalent Pt(1) atoms to form distorted SbFePt3 tetrahedra that share corners with three equivalent Pt(1)Fe3Sb3 octahedra, corners with six equivalent Sb(1)FePt3 tetrahedra, and corners with nine equivalent Fe(1)SbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°.
FePtSb crystallizes in the cubic P2_13 space group. Fe(1) is bonded to three equivalent Pt(1) and one Sb(1) atom to form distorted FeSbPt3 trigonal pyramids that share corners with three equivalent Pt(1)Fe3Sb3 octahedra, corners with nine equivalent Sb(1)FePt3 tetrahedra, and corners with six equivalent Fe(1)SbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 76°. All Fe(1)-Pt(1) bond lengths are 2.39 Å. The Fe(1)-Sb(1) bond length is 2.50 Å. Pt(1) is bonded to three equivalent Fe(1) and three equivalent Sb(1) atoms to form distorted PtFe3Sb3 octahedra that share corners with twelve equivalent Pt(1)Fe3Sb3 octahedra, corners with three equivalent Sb(1)FePt3 tetrahedra, and corners with three equivalent Fe(1)SbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 62-66°. All Pt(1)-Sb(1) bond lengths are 2.77 Å. Sb(1) is bonded to one Fe(1) and three equivalent Pt(1) atoms to form distorted SbFePt3 tetrahedra that share corners with three equivalent Pt(1)Fe3Sb3 octahedra, corners with six equivalent Sb(1)FePt3 tetrahedra, and corners with nine equivalent Fe(1)SbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°.