Thermal expansion of iron phosphides

IF 1.5 4区地球科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY

Physics and Chemistry of Minerals Pub Date : 2026-05-18 DOI:10.1007/s00269-026-01354-y

Yuan Yin, Wen Wen, Shuangmeng Zhai

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Abstract

Iron-rich phosphides are functional materials for the hydrogen evolution reaction and also analogues of Fe-Ni-P minerals found in meteorites and pyrometamorphic rocks on Earth. They are also potential components in solid metallic cores of the Earth, Mars, and other terrestrial planets. The thermal expansion coefficients (α) of three iron-rich phosphides (FeP, Fe₂P, and Fe₃P) were investigated by in-situ synchrotron X-ray powder diffraction from room temperature to 1073 K. By fitting the obtained volume-temperature (V-T) data using a function of α(T) = α₀ + α₁⋅T (Fei model), the parameters α₀ and α₁ for FeP’s volume are 2.60(22) ⋅10^− 5 K^− 1 and 3.57(36) ⋅10^− 8 K^− 2, for Fe₂P’s volume are 3.26(37) ⋅10^− 5 K^− 1 and 3.70(64) ⋅10^− 8 K^− 2, and for Fe₃P’s volume are 1.96(20) ⋅10^− 5 K^− 1 and 4.01(32) ⋅10^− 8 K^− 2, respectively. Axial thermal expansions are different in three iron phosphides. Combined with previous results, the density profiles of solid Fe₃P and FeP in the Martian core conditions were calculated and compared with those of Fe₃S, FeS and fcc Fe. Fe₃P has a similar density to Fe₃S under Martian core conditions, suggesting that phosphorus can exist in the Martian solid inner core if the core comprises iron sulfide.

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磷化铁的热膨胀

富铁磷化物是析氢反应的功能物质，也是地球上陨石和热变质岩中发现的Fe-Ni-P矿物的类似物。它们也是地球、火星和其他类地行星的固体金属核心的潜在成分。用原位同步x射线粉末衍射法研究了三种富铁磷化物（FeP、Fe2P和Fe3P）在室温至1073 K范围内的热膨胀系数（α）。利用α(T) = α0 + α1·T （Fei模型）的函数拟合得到的体积-温度（V-T）数据，FeP的体积α0和α1分别为2.60(22)⋅10−5 K−1和3.57(36)⋅10−8 K−2，Fe2P的体积α0和α1分别为3.26(37)⋅10−5 K−1和3.70(64)⋅10−8 K−2，Fe3P的体积α0和α1分别为1.96(20)⋅10−5 K−1和4.01(32)⋅10−8 K−2。三种磷化铁的轴向热膨胀率不同。结合前人的研究结果，计算了火星岩心条件下固体Fe3P和FeP的密度分布，并与Fe3S、FeS和fcc Fe的密度分布进行了比较。在火星内核条件下，Fe3P的密度与Fe3S相似，这表明如果内核中含有硫化铁，则磷可能存在于火星固体内核中。

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来源期刊

Physics and Chemistry of Minerals 地学-材料科学：综合

CiteScore

2.90

自引率

14.30%

发文量

审稿时长

3 months

期刊介绍： Physics and Chemistry of Minerals is an international journal devoted to publishing articles and short communications of physical or chemical studies on minerals or solids related to minerals. The aim of the journal is to support competent interdisciplinary work in mineralogy and physics or chemistry. Particular emphasis is placed on applications of modern techniques or new theories and models to interpret atomic structures and physical or chemical properties of minerals. Some subjects of interest are: -Relationships between atomic structure and crystalline state (structures of various states, crystal energies, crystal growth, thermodynamic studies, phase transformations, solid solution, exsolution phenomena, etc.) -General solid state spectroscopy (ultraviolet, visible, infrared, Raman, ESCA, luminescence, X-ray, electron paramagnetic resonance, nuclear magnetic resonance, gamma ray resonance, etc.) -Experimental and theoretical analysis of chemical bonding in minerals (application of crystal field, molecular orbital, band theories, etc.) -Physical properties (magnetic, mechanical, electric, optical, thermodynamic, etc.) -Relations between thermal expansion, compressibility, elastic constants, and fundamental properties of atomic structure, particularly as applied to geophysical problems -Electron microscopy in support of physical and chemical studies -Computational methods in the study of the structure and properties of minerals -Mineral surfaces (experimental methods, structure and properties)