The lattice thermal expansion and specific heat capacity of the C15–Cr₂Zr Laves phase intermetallic compound were investigated using high temperature X-ray diffraction (HTXRD) and differential scanning calorimetry (DSC). All these alloys were prepared by arc melting. Through various heat treatments, the intermetallic compound Cr₂Zr with both C14/C36–Cr₂Zr and cubic C15–Cr₂Zr Laves phase structure was obtained from these ingots. Room temperature XRD profile and scanning electron microscope (SEM) along with energy-dispersive X-ray (EDX) experiments on 1573 K/8h homogenized samples have confirmed the homogeneity and C15 (Fd-3m) crystal structure of Cr₂Zr. The lattice parameters and relative phase fraction of the constituent phases were evaluated by using Rietveld refinement. The lattice thermal expansion behaviour of the compound was investigated in the temperature range 298 K–1073 K, and the result shows that its unit cell parameters increased exponentially when the temperature increased. The average thermal expansion coefficients were found to be α_aⁱ = 1.03 × 10⁻⁵ K⁻¹ and α_vⁱ = 3.08 × 10⁻⁵ K⁻¹. The specific heat capacity of the Laves phase Cr₂Zr has been measured by using heat-flux DSC by employing the classical three-step method and is being reported for the first time. The heat capacity data obtained in this study have been compared with the theoretical model using quasi-harmonic Debye Grüneisen formalism in the temperature range 0–860 K and shown the various contributions to total heat capacity. The measured heat capacity data was used to obtain enthalpy increment as a function of temperature, which was effectively modelled by first principles based quasi-harmonic approximation and revealed different contributions to total enthalpy. To the best of our knowledge, this is the first experimental report on the thermal expansion and specific heat capacity of C15–Cr₂Zr. A comprehensive set of thermodynamic parameters for C15–Cr₂Zr has been established using a combination of measurement and modelling.

使用高温X射线衍射（HTXRD）和差示扫描量热法（DSC）研究了C15-Cr ₂ Zr Laves相金属间化合物的晶格热膨胀和比热容。所有这些合金都是通过电弧熔炼制备的。通过各种热处理，从这些铸锭中获得了具有C14/C36-Cr ₂ Zr 和立方C15-Cr ₂ Zr Laves 相结构的金属间化合物Cr _{2 Zr。}室温 XRD 曲线和扫描电子显微镜 (SEM) 以及 1573 K/8h 均质样品的能量色散 X 射线 (EDX) 实验证实了 Cr _{2的均质性和 C15 (Fd-3m) 晶体结构}锆。通过使用 Rietveld 细化来评估组成相的晶格参数和相对相分数。在298 K-1073 K的温度范围内研究了该化合物的晶格热膨胀行为，结果表明其晶胞参数随温度升高呈指数增加。发现平均热膨胀系数为α _a ⁱ  = 1.03 × 10 ^-5  K ^-1和α _v ⁱ  = 3.08 × 10 ^-5  K ^-1。Laves相Cr _{2的比热容}Zr 已通过采用经典的三步法使用热通量 DSC 进行测量，并且是首次报道。在本研究中获得的热容量数据已与使用准谐波德拜格鲁内森形式在 0-860 K 温度范围内的理论模型进行了比较，并显示了对总热容量的各种贡献。测量的热容量数据用于获得作为温度函数的焓增量，该增量通过基于第一原理的准谐波近似有效地建模，并揭示了对总焓的不同贡献。据我们所知，这是第一份关于 C15-Cr ₂ Zr 的热膨胀和比热容的实验报告。C15–Cr _{2的一组全面的热力学参数}Zr 是通过测量和建模相结合的方式确定的。