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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Fe3PtN by Materials Project

Fe3PtN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one ammonia molecule and one Fe3Pt framework. In the Fe3Pt framework, Fe is bonded in a linear geometry to two equivalent Pt atoms. Both Fe–Pt bond lengths are 2.35 Å. Pt is bonded to six equivalent Fe atoms to form corner-sharing PtFe6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Fe3PtN by Materials Project

Fe3PtN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded in a linear geometry to four equivalent Pt and two equivalent N atoms. All Fe–Pt bond lengths are 2.73 Å. Both Fe–N bond lengths are 1.93 Å. Pt is bonded to twelve equivalent Fe atoms to form PtFe12 cuboctahedra that share corners with twelve equivalent PtFe12 cuboctahedra, faces with six equivalent PtFe12 cuboctahedra, and faces with eight equivalent NFe6 octahedra. N is bonded to six equivalent Fe atoms to form NFe6 octahedra that share corners with six equivalent NFe6 octahedra and faces with eight equivalent PtFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗