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DOE OSTI2020

Materials Data on Fe3Ni by Materials Project

Fe3Ni 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 Ni atoms to form FeFe8Ni4 cuboctahedra that share corners with twelve equivalent FeFe8Ni4 cuboctahedra, edges with eight equivalent NiFe12 cuboctahedra, edges with sixteen equivalent FeFe8Ni4 cuboctahedra, faces with four equivalent NiFe12 cuboctahedra, and faces with fourteen equivalent FeFe8Ni4 cuboctahedra. All Fe–Fe bond lengths are 2.53 Å. All Fe–Ni bond lengths are 2.53 Å. Ni is bonded to twelve equivalent Fe atoms to form NiFe12 cuboctahedra that share corners with twelve equivalent NiFe12 cuboctahedra, edges with twenty-four equivalent FeFe8Ni4 cuboctahedra, faces with six equivalent NiFe12 cuboctahedra, and faces with twelve equivalent FeFe8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Fe3Ni by Materials Project

Fe3Ni is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to four equivalent Fe and four equivalent Ni atoms. All Fe–Fe bond lengths are 2.47 Å. All Fe–Ni bond lengths are 2.47 Å. In the second Fe site, Fe is bonded in a 8-coordinate geometry to eight equivalent Fe and six equivalent Ni atoms. All Fe–Ni bond lengths are 2.85 Å. Ni is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Fe3Ni by Materials Project

Fe3Ni is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded to eight equivalent Fe and four equivalent Ni atoms to form FeFe8Ni4 cuboctahedra that share corners with four equivalent FeFe8Ni4 cuboctahedra, corners with eight equivalent NiFe12 cuboctahedra, edges with twenty-four FeFe8Ni4 cuboctahedra, faces with six equivalent NiFe12 cuboctahedra, and faces with twelve FeFe8Ni4 cuboctahedra. All Fe–Fe bond lengths are 2.57 Å. All Fe–Ni bond lengths are 2.49 Å. In the second Fe site, Fe is bonded to eight Fe and four equivalent Ni atoms to form FeFe8Ni4 cuboctahedra that share corners with twelve equivalent FeFe8Ni4 cuboctahedra, edges with eight equivalent NiFe12 cuboctahedra, edges with sixteen FeFe8Ni4 cuboctahedra, faces with four equivalent NiFe12 cuboctahedra, and faces with fourteen FeFe8Ni4 cuboctahedra. All Fe–Fe bond lengths are 2.49 Å. All Fe–Ni bond lengths are 2.57 Å. Ni is bonded to twelve Fe atoms to form NiFe12 cuboctahedra that share corners with four equivalent NiFe12 cuboctahedra, corners with eight equivalent FeFe8Ni4 cuboctahedra, edges with eight equivalent NiFe12 cuboctahedra, edges with sixteen equivalent FeFe8Ni4 cuboctahedra, faces with four equivalent NiFe12 cuboctahedra, and faces with fourteen FeFe8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Fe3NiN by Materials Project

Fe3NiN 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 Fe3Ni framework. In the Fe3Ni framework, Fe is bonded in a linear geometry to two equivalent Ni atoms. Both Fe–Ni bond lengths are 2.15 Å. Ni is bonded to six equivalent Fe atoms to form corner-sharing NiFe6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

NASA NTRS1988

Low temperature phase transformations in the metallic phases of iron and stony-iron meteorites

The nickel content and the structure of kamacite and decomposed taenite (clear taenite 1, CT-1; the cloudy zone, CZ; and clear taenite 2, CT-2) in the metallic phases of meteorites were determined using X-ray microanalysis techniques in the AEM. The kamacite near the CT-1 interface was found to contain about 4 wt pct Ni. The CT-1 structure contains 51.4-45.6 wt pct Ni; it is ordered FeNi with the L1(0) superstructure. The CZ structure consists of two phases: a globular phase (ordered FeNi containing 50.9 wt pct Ni) and a surrounding honeycomb martensitic phase containing 11.7 wt pct Ni. The CT-2 was found in all of the iron meteorite groups studied and in the pallasites, but not in the mesosiderites. Based on the preliminary evidence, this region is believed to be ordered Fe3Ni. Possible mechanisms for the decomposition of taenite are discussed.

Reuter, K. B.↗