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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 OSTI2020

Materials Data on Fe2NiP by Materials Project

Fe2NiP crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to five equivalent Ni and two equivalent P atoms. There are a spread of Fe–Ni bond distances ranging from 2.47–2.80 Å. There are one shorter (2.28 Å) and one longer (2.35 Å) Fe–P bond lengths. In the second Fe site, Fe is bonded in a 4-coordinate geometry to three equivalent Ni and four equivalent P atoms. There are a spread of Fe–Ni bond distances ranging from 2.51–2.59 Å. There are a spread of Fe–P bond distances ranging from 2.26–2.30 Å. Ni is bonded in a 3-coordinate geometry to eight Fe, two equivalent Ni, and three equivalent P atoms. Both Ni–Ni bond lengths are 2.66 Å. There are a spread of Ni–P bond distances ranging from 2.21–2.37 Å. P is bonded in a 9-coordinate geometry to six Fe and three equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Fe3NiP4 by Materials Project

Fe3NiP4 is Modderite-derived structured and crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six P+2.75- atoms to form distorted FeP6 octahedra that share corners with four equivalent NiP6 octahedra, corners with eight equivalent FeP6 octahedra, edges with six FeP6 octahedra, and faces with two equivalent NiP6 octahedra. The corner-sharing octahedra tilt angles range from 46–58°. There are a spread of Fe–P bond distances ranging from 2.23–2.35 Å. In the second Fe3+ site, Fe3+ is bonded to six P+2.75- atoms to form distorted FeP6 octahedra that share corners with twelve FeP6 octahedra, edges with two equivalent FeP6 octahedra, edges with four equivalent NiP6 octahedra, and faces with two equivalent FeP6 octahedra. The corner-sharing octahedra tilt angles range from 46–58°. There are a spread of Fe–P bond distances ranging from 2.25–2.37 Å. In the third Fe3+ site, Fe3+ is bonded to six P+2.75- atoms to form distorted FeP6 octahedra that share corners with four equivalent FeP6 octahedra, corners with eight equivalent NiP6 octahedra, edges with six FeP6 octahedra, and faces with two equivalent FeP6 octahedra. The corner-sharing octahedra tilt angles range from 45–59°. There are a spread of Fe–P bond distances ranging from 2.17–2.30 Å. Ni2+ is bonded to six P+2.75- atoms to form distorted NiP6 octahedra that share corners with twelve FeP6 octahedra, edges with two equivalent NiP6 octahedra, edges with four equivalent FeP6 octahedra, and faces with two equivalent FeP6 octahedra. The corner-sharing octahedra tilt angles range from 45–59°. There are a spread of Ni–P bond distances ranging from 2.24–2.40 Å. There are four inequivalent P+2.75- sites. In the first P+2.75- site, P+2.75- is bonded in a 6-coordinate geometry to five Fe3+ and one Ni2+ atom. In the second P+2.75- site, P+2.75- is bonded in a 6-coordinate geometry to five Fe3+ and one Ni2+ atom. In the third P+2.75- site, P+2.75- is bonded in a 6-coordinate geometry to four Fe3+ and two equivalent Ni2+ atoms. In the fourth P+2.75- site, P+2.75- is bonded in a 6-coordinate geometry to four Fe3+ and two equivalent Ni2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Fe2NiP by Materials Project

Fe2NiP crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to two equivalent P atoms. There are one shorter (2.28 Å) and one longer (2.37 Å) Fe–P bond lengths. In the second 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 2.23–2.38 Å. Ni is bonded in a 4-coordinate geometry to four equivalent P atoms. There are a spread of Ni–P bond distances ranging from 2.30–2.34 Å. P is bonded in a 9-coordinate geometry to five Fe and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗