Abstract

An orthorhombic modification of (Fe,Ni)2P, allabogdanite, found in iron meteorites was considered to be thermodynamically stable at pressures above 8 GPa and temperatures of 1673 K according to the results of recent static high-pressure and high-temperature experiments. A hexagonal polymorphic modification of (Fe,Ni)2P, barringerite, was considered to be stable at ambient conditions. Experimental investigation through the solid-state synthesis supported by ab initio calculations was carried out to clarify the stability fields of (Fe,Ni)2P polymorphs. Both experimental and theoretical studies show that Fe2P-allabogdanite is a low-temperature phase stable at ambient conditions up to a temperature of at least 773 K and, therefore, is not necessarily associated with high pressures. This is consistent with the textural relationships of allabogdanite in iron meteorites.

Highlights

  • An orthorhombic modification of (Fe,Ni)2P, allabogdanite, found in iron meteorites was considered to be thermodynamically stable at pressures above 8 GPa and temperatures of 1673 K according to the results of recent static high-pressure and high-temperature experiments

  • We report the results of ab initio calculations and experimental investigation of the stability fields of polymorphic modifications of (Fe,Ni)2P, which show that allabogdanite is thermodynamically stable at ambient PT-conditions

  • The determined parameters of the phase transition and relationship between the unit cell volumes are in agreement with the results of our ab initio calculations (Fig. 3)

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Summary

Introduction

An orthorhombic modification of (Fe,Ni)2P, allabogdanite, found in iron meteorites was considered to be thermodynamically stable at pressures above 8 GPa and temperatures of 1673 K according to the results of recent static high-pressure and high-temperature experiments. Experimental investigation through the solid-state synthesis supported by ab initio calculations was carried out to clarify the stability fields of (Fe,Ni)2P polymorphs Both experimental and theoretical studies show that Fe2P-allabogdanite is a low-temperature phase stable at ambient conditions up to a temperature of at least 773 K and, is not necessarily associated with high pressures. The orthorhombic modification of Fe2P−Ni2P solid-solution, allabogdanite was first detected in anomalous Onello high-Ni ataxite found in 1997 in the alluvium of the Onello River, Yakutia, Russia[3] Earlier this mineral in the Onello ataxite was considered barringerite[7,8,9]. A comprehensive investigation of mineralogy and trace element composition of the Onello meteorite has been carried out by Litasov et al.[10] They argue that the morphology of the allabogdanite crystals and surrounding phases indicates equilibrium relationships (Fig. 1), though the Fe-Ni-P phase diagram has an intermediate Fe3P compound.

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