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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on FePd3 by Materials Project

Pd3Fe is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded to twelve equivalent Pd atoms to form FePd12 cuboctahedra that share corners with twelve equivalent FePd12 cuboctahedra, edges with twenty-four equivalent PdFe4Pd8 cuboctahedra, faces with six equivalent FePd12 cuboctahedra, and faces with twelve equivalent PdFe4Pd8 cuboctahedra. All Fe–Pd bond lengths are 2.75 Å. Pd is bonded to four equivalent Fe and eight equivalent Pd atoms to form PdFe4Pd8 cuboctahedra that share corners with twelve equivalent PdFe4Pd8 cuboctahedra, edges with eight equivalent FePd12 cuboctahedra, edges with sixteen equivalent PdFe4Pd8 cuboctahedra, faces with four equivalent FePd12 cuboctahedra, and faces with fourteen equivalent PdFe4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.75 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FePd3 by Materials Project

Pd3Fe crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Fe is bonded to six equivalent Pd atoms to form distorted FePd6 cuboctahedra that share corners with six equivalent PdPd12 cuboctahedra, edges with six equivalent FePd6 cuboctahedra, and edges with six equivalent PdPd12 cuboctahedra. All Fe–Pd bond lengths are 2.62 Å. There are four inequivalent Pd sites. In the first Pd site, Pd is bonded to three equivalent Fe and three equivalent Pd atoms to form a mixture of distorted edge and corner-sharing PdFe3Pd3 cuboctahedra. All Pd–Pd bond lengths are 2.84 Å. In the second Pd site, Pd is bonded to twelve Pd atoms to form PdPd12 cuboctahedra that share corners with six equivalent FePd6 cuboctahedra, corners with eighteen PdFe3Pd3 cuboctahedra, edges with six equivalent FePd6 cuboctahedra, edges with eighteen PdFe3Pd3 cuboctahedra, and faces with six equivalent PdPd12 cuboctahedra. All Pd–Pd bond lengths are 2.78 Å. In the third Pd site, Pd is bonded to three equivalent Fe and three equivalent Pd atoms to form distorted PdFe3Pd3 cuboctahedra that share corners with fourteen PdFe3Pd3 cuboctahedra, edges with twenty PdFe3Pd3 cuboctahedra, and faces with two equivalent PdPd16 cuboctahedra. All Pd–Fe bond lengths are 2.62 Å. All Pd–Pd bond lengths are 2.84 Å. In the fourth Pd site, Pd is bonded to sixteen Pd atoms to form PdPd16 cuboctahedra that share corners with six equivalent FePd6 cuboctahedra, corners with twenty-two PdFe3Pd3 cuboctahedra, edges with six equivalent FePd6 cuboctahedra, edges with twenty-six PdFe3Pd3 cuboctahedra, and faces with twenty PdFe3Pd3 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.78–5.56 Å.

36 MATERIALS SCIENCE↗