The stability of the Fe₂₃Zr₆ phase in Fe–Zr system was studied, and the partial Fe–Zr phase diagram was revised by means of X-ray diffraction, electron probe microanalysis and differential thermal analysis methods. On the basis of the experimental results in the present work and literature, the Fe–Zr system was reassessed using CALculation of PHAse Diagram (CALPHAD) method. Solution phases, liquid, fcc, bcc and hcp, are modeled as the substitutional solution. The intermetallic compounds, hex.-Fe₂Zr, Fe₂Zr, FeZr₂ and FeZr₃ phases, are treated as Fe₂(Fe, Zr)₁, (Fe, Zr)₂(Fe, Zr)₁, (Fe, Zr)₁Zr₂ and (Fe, Zr)₁(Fe, Zr)₃ by a two-sublattice model, respectively. The Fe₂₃Zr₆ phase is treated as stoichiometric compound. A set of self-consistent thermodynamic parameters of the Fe–Zr system was obtained. The results confirm the stability of Fe₂₃Zr₆ phase, improve the phase diagram of the Fe–Zr system and provide a theoretical reference for the development of Zr alloys.

研究了Fe -Zr体系中Fe ₂₃ Zr ₆相的稳定性，并通过X射线衍射，电子探针显微分析和差热分析方法对Fe-Zr的部分相图进行了修正。根据当前工作和文献中的实验结果，使用PHAse图的计算（CALPHAD）方法对Fe-Zr系统进行了重新评估。液相，FCC，BCC和HCP溶液相被建模为替代溶液。金属间化合物的六相-Fe ₂ Zr，Fe ₂ Zr，FeZr ₂和FeZr ₃相被视为Fe ₂（Fe，Zr）₁，（Fe，Zr）₂（Fe，Zr）₁两子格模型分别表示（Fe，Zr）₁ Zr ₂和（Fe，Zr）₁（Fe，Zr）₃。Fe ₂₃ Zr ₆相被视为化学计量的化合物。获得了一组Fe-Zr系统的自洽热力学参数。结果证实了Fe ₂₃ Zr ₆相的稳定性，改善了Fe–Zr体系的相图，并为Zr合金的开发提供了理论参考。