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11 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Iron isotope fractionation between solid and liquid metal in the Fe-P±Ni system: Experimental constraints and implications for meteorites

Iron meteorites record a range of Fe isotope compositions that hold valuable information regarding the evolution of their parent bodies. Interpreting this isotopic variability, however, requires experimental constraints on the equilibrium isotope fractionation between phases. It is thought that the cores of many iron meteorite parent bodies experienced fractional crystallization, during which crystallization of solid iron-nickel occurs from an increasingly non-metal-rich liquid alloy. Phosphorus is one component of this alloy, and this study provides the first constraints on Fe-isotope fractionation between solid and liquid alloys in the Fe-Ni-P system. Experiments comprising Fe and P show a clear enrichment in the light isotopes of Fe in the liquid phase, which increases with the amount of phosphorus. Nickel-bearing samples are offset from the trend defined by Ni-free experiments, which is accounted for by the change in the solid alloy phase from a body-centered cubic to face-centered cubic structure upon the addition of Ni. The increasing light isotope enrichment of the liquid with increasing P content suggests interstitial solution of P, which is known to lengthen Fe-Fe bonds in Fe-P liquids (Waseda and Shiraishi 1977). Results suggest a negligible effect of P on Fe isotope fractionation during planetesimal core crystallization. Iron isotopes may, however, prove useful for identifying the petrogenesis of schreibersite in pallasites and iron meteorites.

58 GEOSCIENCES↗
DOE OSTI2024

Ion Implantation-Induced Plastic Phenomena in Metallic Alloys

Ion implantation is widely used for doping semiconductors or electroceramic materials and probing material behaviors in extreme radiation environments. However, implanted ions can induce compressive stresses into the host material, which can induce plasticity and mesoscopic deformation. However, these phenomena have almost exclusively been observed in brittle ionic and/or covalently bonded materials. Here, in this study, we present transmission electron microscopy observations of unusual implantation-induced plasticity in two metallic alloys. First, Fe 2+ ions induce dislocation plasticity below the implanted layer in a model Fe-P alloy. Next, He+ ions form pressurized cavities which activate the fcc-to-hcp strain-induced martensitic transformation in Alloy 625. In both cases, the plasticity can be explained by a combination of implanted ions being incorporated into the lattice and the creation of irradiation defects. These findings have significant implications for mechanical testing of ion-implanted layers, while also opening pathways for using ion implantation to tune stress distributions in metallic alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeP by Materials Project

FeP is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent P3- atoms to form a mixture of distorted edge, face, and corner-sharing FeP6 octahedra. The corner-sharing octahedra tilt angles range from 43–57°. There are a spread of Fe–P bond distances ranging from 2.22–2.33 Å. P3- is bonded in a 6-coordinate geometry to six equivalent Fe3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Fe3P by Materials Project

Fe3P crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 4-coordinate geometry to four equivalent P atoms. There are a spread of Fe–P bond distances ranging from 2.27–2.33 Å. In the second Fe site, Fe is bonded in a 2-coordinate geometry to two equivalent P atoms. There are one shorter (2.30 Å) and one longer (2.34 Å) Fe–P bond lengths. In the third Fe site, Fe is bonded in a 3-coordinate geometry to three equivalent P atoms. There are a spread of Fe–P bond distances ranging from 2.25–2.39 Å. P is bonded in a 9-coordinate geometry to nine Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeP2 by Materials Project

FeP2 is zeta iron carbide structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent P+1.50- atoms to form a mixture of edge and corner-sharing FeP6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are two shorter (2.24 Å) and four longer (2.25 Å) Fe–P bond lengths. P+1.50- is bonded in a 4-coordinate geometry to three equivalent Fe3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Fe4P by Materials Project

Fe4P crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded to twelve equivalent Fe atoms to form FeFe12 cuboctahedra that share corners with twelve equivalent FeFe12 cuboctahedra, faces with six equivalent FeFe12 cuboctahedra, and faces with eight equivalent PFe6 octahedra. All Fe–Fe bond lengths are 2.92 Å. In the second Fe site, Fe is bonded in a linear geometry to four equivalent Fe and two equivalent P atoms. Both Fe–P bond lengths are 2.07 Å. P is bonded to six equivalent Fe atoms to form PFe6 octahedra that share corners with six equivalent PFe6 octahedra and faces with eight equivalent FeFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeP4 by Materials Project

FeP4 is Sylvanite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six P+0.75- atoms to form FeP6 octahedra that share corners with two equivalent FeP6 octahedra, corners with nine PFeP3 tetrahedra, and an edgeedge with one FeP6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are a spread of Fe–P bond distances ranging from 2.18–2.32 Å. In the second Fe3+ site, Fe3+ is bonded to six P+0.75- atoms to form FeP6 octahedra that share corners with six PFeP3 tetrahedra and edges with two equivalent FeP6 octahedra. All Fe–P bond lengths are 2.25 Å. There are six inequivalent P+0.75- sites. In the first P+0.75- site, P+0.75- is bonded to one Fe3+ and three P+0.75- atoms to form distorted PFeP3 tetrahedra that share corners with five FeP6 octahedra and corners with two PFe2P2 tetrahedra. The corner-sharing octahedra tilt angles range from 62–79°. There are a spread of P–P bond distances ranging from 2.18–2.29 Å. In the second P+0.75- site, P+0.75- is bonded in a 4-coordinate geometry to two equivalent Fe3+ and two P+0.75- atoms. The P–P bond length is 2.24 Å. In the third P+0.75- site, P+0.75- is bonded in a 4-coordinate geometry to two Fe3+ and two P+0.75- atoms. There are one shorter (2.22 Å) and one longer (2.23 Å) P–P bond lengths. In the fourth P+0.75- site, P+0.75- is bonded to two Fe3+ and two P+0.75- atoms to form distorted PFe2P2 tetrahedra that share corners with three FeP6 octahedra and corners with five PFeP3 tetrahedra. The corner-sharing octahedra tilt angles range from 64–70°. In the fifth P+0.75- site, P+0.75- is bonded to one Fe3+ and three P+0.75- atoms to form distorted PFeP3 tetrahedra that share corners with four equivalent FeP6 octahedra and corners with five PFeP3 tetrahedra. The corner-sharing octahedra tilt angles range from 45–80°. The P–P bond length is 2.26 Å. In the sixth P+0.75- site, P+0.75- is bonded in a distorted single-bond geometry to one Fe3+ and three P+0.75- atoms. The P–P bond length is 2.30 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeP4 by Materials Project

FeP4 is Sylvanite-derived structured and crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. Fe3+ is bonded to six P+0.75- atoms to form FeP6 octahedra that share corners with four equivalent FeP6 octahedra and corners with eight equivalent PFeP3 tetrahedra. The corner-sharing octahedral tilt angles are 56°. There are a spread of Fe–P bond distances ranging from 2.17–2.30 Å. There are two inequivalent P+0.75- sites. In the first P+0.75- site, P+0.75- is bonded in a 4-coordinate geometry to two equivalent Fe3+ and two P+0.75- atoms. There are one shorter (2.23 Å) and one longer (2.33 Å) P–P bond lengths. In the second P+0.75- site, P+0.75- is bonded to one Fe3+ and three P+0.75- atoms to form distorted PFeP3 tetrahedra that share corners with four equivalent FeP6 octahedra and corners with three equivalent PFeP3 tetrahedra. The corner-sharing octahedra tilt angles range from 53–75°. There are one shorter (2.20 Å) and one longer (2.23 Å) P–P bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeP4 by Materials Project

FeP4 is Sylvanite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six P+0.75- atoms to form FeP6 octahedra that share corners with two equivalent PFe2P2 tetrahedra and edges with two equivalent FeP6 octahedra. There are a spread of Fe–P bond distances ranging from 2.19–2.26 Å. In the second Fe3+ site, Fe3+ is bonded to six P+0.75- atoms to form FeP6 octahedra that share corners with four equivalent PFe2P2 tetrahedra and edges with two equivalent FeP6 octahedra. There are a spread of Fe–P bond distances ranging from 2.20–2.32 Å. There are four inequivalent P+0.75- sites. In the first P+0.75- site, P+0.75- is bonded in a 1-coordinate geometry to one Fe3+ and three P+0.75- atoms. There are a spread of P–P bond distances ranging from 2.21–2.29 Å. In the second P+0.75- site, P+0.75- is bonded to two Fe3+ and two P+0.75- atoms to form distorted PFe2P2 tetrahedra that share corners with three FeP6 octahedra and corners with two equivalent PFe2P2 tetrahedra. The corner-sharing octahedra tilt angles range from 50–67°. The P–P bond length is 2.27 Å. In the third P+0.75- site, P+0.75- is bonded in a 1-coordinate geometry to one Fe3+ and three P+0.75- atoms. There are one shorter (2.19 Å) and one longer (2.26 Å) P–P bond lengths. In the fourth P+0.75- site, P+0.75- is bonded in a 4-coordinate geometry to two Fe3+ and two P+0.75- atoms. The P–P bond length is 2.27 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Fe2P by Materials Project

Fe2P crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 5-coordinate geometry to five P atoms. There are one shorter (2.37 Å) and four longer (2.46 Å) Fe–P bond lengths. In the second Fe site, Fe is bonded to four P atoms to form a mixture of distorted edge and corner-sharing FeP4 tetrahedra. There are two shorter (2.19 Å) and two longer (2.27 Å) Fe–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to nine Fe atoms. In the second P site, P is bonded in a 9-coordinate geometry to nine Fe atoms.

36 MATERIALS SCIENCE↗