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Materials Data on Fe3Pd by Materials Project

Fe3Pd is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded to eight equivalent Fe and four equivalent Pd atoms to form FeFe8Pd4 cuboctahedra that share corners with twelve equivalent FeFe8Pd4 cuboctahedra, edges with eight equivalent PdFe12 cuboctahedra, edges with sixteen equivalent FeFe8Pd4 cuboctahedra, faces with four equivalent PdFe12 cuboctahedra, and faces with fourteen equivalent FeFe8Pd4 cuboctahedra. All Fe–Fe bond lengths are 2.64 Å. All Fe–Pd bond lengths are 2.64 Å. Pd is bonded to twelve equivalent Fe atoms to form PdFe12 cuboctahedra that share corners with twelve equivalent PdFe12 cuboctahedra, edges with twenty-four equivalent FeFe8Pd4 cuboctahedra, faces with six equivalent PdFe12 cuboctahedra, and faces with twelve equivalent FeFe8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Fe3Pd by Materials Project

Fe3Pd crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to two equivalent Fe and two equivalent Pd atoms. Both Fe–Fe bond lengths are 2.46 Å. Both Fe–Pd bond lengths are 2.63 Å. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to eight Fe atoms. All Fe–Fe bond lengths are 2.58 Å. Pd is bonded in a 8-coordinate geometry to four equivalent Fe atoms.

36 MATERIALS SCIENCE↗